smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(C=NNc2cccc(F)c2C(=O)[O-])nc2ccccc21 ZINC001597849097 989575575 /nfs/dbraw/zinc/57/55/75/989575575.db2.gz BTZNXUYCQVSYTH-UHFFFAOYSA-N -1 1 326.331 3.340 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2c(Cl)cccc2Cl)c(=O)o1 ZINC000105639549 204151688 /nfs/dbraw/zinc/15/16/88/204151688.db2.gz LLFYPUWVVHUJBB-GXMNPTEKSA-N -1 1 325.147 3.222 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC=C(c3ccc(F)cc3)CC2)o1 ZINC000344667174 144208310 /nfs/dbraw/zinc/20/83/10/144208310.db2.gz DDZWOXIQMUHGNC-HNNXBMFYSA-N -1 1 346.383 3.205 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1 ZINC000119777911 152227623 /nfs/dbraw/zinc/22/76/23/152227623.db2.gz CVEVUPWZRHKUFK-UHFFFAOYSA-N -1 1 325.349 3.014 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)s1 ZINC000318747142 154160169 /nfs/dbraw/zinc/16/01/69/154160169.db2.gz XCNVCMZDCIWAMT-UHFFFAOYSA-N -1 1 346.355 3.117 20 30 EGEDMM N#Cc1ccc(Oc2cccc(C(=O)Nc3ccncc3[O-])c2)cc1 ZINC000345374761 156075765 /nfs/dbraw/zinc/07/57/65/156075765.db2.gz LHTDZOUYUHYCSV-UHFFFAOYSA-N -1 1 331.331 3.125 20 30 EGEDMM CCOCc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000438721829 267143351 /nfs/dbraw/zinc/14/33/51/267143351.db2.gz GEQMFZISDRLFBH-UHFFFAOYSA-N -1 1 330.409 3.204 20 30 EGEDMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C12CCCCC2 ZINC000443292830 267157644 /nfs/dbraw/zinc/15/76/44/267157644.db2.gz HXLNVVATXJVAFN-ROUUACIJSA-N -1 1 342.439 3.464 20 30 EGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000180175604 267312394 /nfs/dbraw/zinc/31/23/94/267312394.db2.gz ZATFRCKXMYKYFD-UHFFFAOYSA-N -1 1 331.784 3.193 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)cc1[O-] ZINC000188369908 268035845 /nfs/dbraw/zinc/03/58/45/268035845.db2.gz BFFOSEFTLOMRQL-PKOBYXMFSA-N -1 1 336.391 3.162 20 30 EGEDMM N#Cc1cc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)ccc1F ZINC000521166771 268176646 /nfs/dbraw/zinc/17/66/46/268176646.db2.gz JUJKSVMMOIAQJQ-UHFFFAOYSA-N -1 1 342.280 3.040 20 30 EGEDMM N#Cc1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000532775724 313840235 /nfs/dbraw/zinc/84/02/35/313840235.db2.gz MSZRQGBRDMHGOP-CQSZACIVSA-N -1 1 340.326 3.140 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000005138934 452840188 /nfs/dbraw/zinc/84/01/88/452840188.db2.gz YJTNWKGEGGGPIN-UHFFFAOYSA-N -1 1 326.299 3.378 20 30 EGEDMM CSCCc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000067899591 453978589 /nfs/dbraw/zinc/97/85/89/453978589.db2.gz QLVPSNGVGDVTCA-UHFFFAOYSA-N -1 1 332.450 3.265 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(C#N)c2)ccc1OC(C)C ZINC000055558125 453994514 /nfs/dbraw/zinc/99/45/14/453994514.db2.gz BSGCFXSRKVVGOY-UHFFFAOYSA-N -1 1 330.409 3.455 20 30 EGEDMM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1 ZINC000080001557 454514196 /nfs/dbraw/zinc/51/41/96/454514196.db2.gz KZZSQFGORXOEBQ-UHFFFAOYSA-N -1 1 329.331 3.091 20 30 EGEDMM CC(C)n1c(CCNc2snc(Cl)c2C#N)n[n-]c1=S ZINC000092655456 454601886 /nfs/dbraw/zinc/60/18/86/454601886.db2.gz XDMRJRJMZKWVGU-UHFFFAOYSA-N -1 1 328.854 3.158 20 30 EGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(F)c1 ZINC000178810038 454980178 /nfs/dbraw/zinc/98/01/78/454980178.db2.gz DJUKMNGPMDSHGH-UHFFFAOYSA-N -1 1 327.340 3.046 20 30 EGEDMM CCOc1ccc(N(CCC#N)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000179478973 455050882 /nfs/dbraw/zinc/05/08/82/455050882.db2.gz LWOCGVMJDUACLK-UHFFFAOYSA-N -1 1 326.352 3.057 20 30 EGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2cccc(COC)c2)c1 ZINC000171338800 455063540 /nfs/dbraw/zinc/06/35/40/455063540.db2.gz OLOIOHWCSRPFPO-UHFFFAOYSA-N -1 1 333.409 3.199 20 30 EGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000174256470 455374052 /nfs/dbraw/zinc/37/40/52/455374052.db2.gz CUNSFTQHEHGOBS-UHFFFAOYSA-N -1 1 340.408 3.053 20 30 EGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000193362398 455754234 /nfs/dbraw/zinc/75/42/34/455754234.db2.gz SMNKZQYUXZXQAO-UHFFFAOYSA-N -1 1 331.784 3.079 20 30 EGEDMM CC[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280597999 456009765 /nfs/dbraw/zinc/00/97/65/456009765.db2.gz OVERZIXZNLZIJX-MRVPVSSYSA-N -1 1 325.192 3.103 20 30 EGEDMM CCc1cccc2c(CCNC(=O)c3ccc(C#N)c([O-])c3)c[nH]c21 ZINC000188383550 456054143 /nfs/dbraw/zinc/05/41/43/456054143.db2.gz MVHJCWARQJYARK-UHFFFAOYSA-N -1 1 333.391 3.280 20 30 EGEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1cccc(Cl)c1 ZINC000188575194 456088332 /nfs/dbraw/zinc/08/83/32/456088332.db2.gz MOKKCOOIXNMUIT-NSHDSACASA-N -1 1 330.771 3.115 20 30 EGEDMM N#Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cc1[O-] ZINC000188769499 456130710 /nfs/dbraw/zinc/13/07/10/456130710.db2.gz NQAWRUCSJASONI-KRWDZBQOSA-N -1 1 334.375 3.141 20 30 EGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)cc1[O-] ZINC000188818277 456144610 /nfs/dbraw/zinc/14/46/10/456144610.db2.gz MZCQZRQRCFOIIN-KRWDZBQOSA-N -1 1 342.782 3.131 20 30 EGEDMM N#CC(=C([O-])c1nccc2ccccc21)c1nnc2n1CCCCC2 ZINC000303513304 456465464 /nfs/dbraw/zinc/46/54/64/456465464.db2.gz BTSBZGBDGJSETJ-OAHLLOKOSA-N -1 1 331.379 3.043 20 30 EGEDMM CC(C)(C#N)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000340573846 456539852 /nfs/dbraw/zinc/53/98/52/456539852.db2.gz FSWZJTFLBBVUOH-UHFFFAOYSA-N -1 1 342.420 3.319 20 30 EGEDMM C=CCC[C@@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)c1ccccc1 ZINC000425319052 457495595 /nfs/dbraw/zinc/49/55/95/457495595.db2.gz IXTPVJKZBCYKRT-MRXNPFEDSA-N -1 1 341.411 3.231 20 30 EGEDMM C=CCC[C@@H](C(=O)N1CCC(c2n[n-]c(=O)o2)CC1)c1ccccc1 ZINC000425319052 457495600 /nfs/dbraw/zinc/49/56/00/457495600.db2.gz IXTPVJKZBCYKRT-MRXNPFEDSA-N -1 1 341.411 3.231 20 30 EGEDMM N#CC(=C([O-])c1cnn2ccccc12)c1ccc(C(F)(F)F)cn1 ZINC000342758736 457504651 /nfs/dbraw/zinc/50/46/51/457504651.db2.gz WUMONCVZIGQEFO-NSHDSACASA-N -1 1 330.269 3.238 20 30 EGEDMM CC(=O)Nc1ccc(C)c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)c1 ZINC000444455908 457899295 /nfs/dbraw/zinc/89/92/95/457899295.db2.gz AFZXAUYKKHAFAE-OAHLLOKOSA-N -1 1 347.378 3.023 20 30 EGEDMM N#Cc1ccc(Nc2cccc(C(=O)Nc3ccncc3[O-])c2)cc1 ZINC000358344359 457948144 /nfs/dbraw/zinc/94/81/44/457948144.db2.gz WKMGRRFYQUXWTQ-UHFFFAOYSA-N -1 1 330.347 3.077 20 30 EGEDMM CC(C)OCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427213136 457961769 /nfs/dbraw/zinc/96/17/69/457961769.db2.gz PPPFHPTYJIWTFI-UHFFFAOYSA-N -1 1 348.399 3.423 20 30 EGEDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000422636106 458428950 /nfs/dbraw/zinc/42/89/50/458428950.db2.gz OROMSJWDWAVJAR-GXFFZTMASA-N -1 1 326.318 3.262 20 30 EGEDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000422636105 458429098 /nfs/dbraw/zinc/42/90/98/458429098.db2.gz OROMSJWDWAVJAR-GWCFXTLKSA-N -1 1 326.318 3.262 20 30 EGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(C)cc1C ZINC000478706041 459105357 /nfs/dbraw/zinc/10/53/57/459105357.db2.gz QQYLOMRWWVPXLN-UHFFFAOYSA-N -1 1 330.409 3.293 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC000590532111 459144475 /nfs/dbraw/zinc/14/44/75/459144475.db2.gz UEDHMVBRWZZORL-UHFFFAOYSA-N -1 1 327.287 3.077 20 30 EGEDMM C=C(CNC(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O)c1ccccc1 ZINC000488898171 459555708 /nfs/dbraw/zinc/55/57/08/459555708.db2.gz JDKWUUQQZIBILS-UHFFFAOYSA-N -1 1 325.412 3.231 20 30 EGEDMM CCOc1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)c2ncccc12 ZINC000573687554 459718661 /nfs/dbraw/zinc/71/86/61/459718661.db2.gz BCIAOAINANOKGW-UHFFFAOYSA-N -1 1 347.440 3.315 20 30 EGEDMM C[S@](=O)c1cccc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1 ZINC000613760080 459923151 /nfs/dbraw/zinc/92/31/51/459923151.db2.gz AWRBEWQSHXTAOB-FYSMJZIKSA-N -1 1 334.400 3.462 20 30 EGEDMM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC000588906033 460001257 /nfs/dbraw/zinc/00/12/57/460001257.db2.gz DTBHDXXXVFZNNN-UHFFFAOYSA-N -1 1 334.775 3.068 20 30 EGEDMM C[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)Oc1cccc(Cl)c1 ZINC000589187162 460046918 /nfs/dbraw/zinc/04/69/18/460046918.db2.gz ODHOZLIHXMEUKI-LLVKDONJSA-N -1 1 330.771 3.115 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000614293698 460083598 /nfs/dbraw/zinc/08/35/98/460083598.db2.gz UUELNGRDYQTEHA-UHFFFAOYSA-N -1 1 346.390 3.160 20 30 EGEDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C12CCCCC2 ZINC000614299874 460084780 /nfs/dbraw/zinc/08/47/80/460084780.db2.gz BCPWXDILTMJZCI-DLBZAZTESA-N -1 1 328.412 3.122 20 30 EGEDMM C[C@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000614300595 460085252 /nfs/dbraw/zinc/08/52/52/460085252.db2.gz LFRKEICTHNMAHV-KXBFYZLASA-N -1 1 349.434 3.047 20 30 EGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000589438927 460088365 /nfs/dbraw/zinc/08/83/65/460088365.db2.gz HHMFXAPPCJAMRL-UHFFFAOYSA-N -1 1 345.420 3.377 20 30 EGEDMM CO[C@H](CNC(=O)c1cc([O-])cc(C#N)c1)c1cccc(Cl)c1 ZINC000614370506 460119303 /nfs/dbraw/zinc/11/93/03/460119303.db2.gz FEXHVOIMASDRIU-MRXNPFEDSA-N -1 1 330.771 3.035 20 30 EGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000619573460 460387395 /nfs/dbraw/zinc/38/73/95/460387395.db2.gz PUDGZZUSYFPFOG-UHFFFAOYSA-N -1 1 339.779 3.193 20 30 EGEDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1O ZINC000612997900 460797730 /nfs/dbraw/zinc/79/77/30/460797730.db2.gz RJKSFHFVQQIOGH-UHFFFAOYSA-N -1 1 336.800 3.335 20 30 EGEDMM CCc1ccc2c(c1)C(=NN=c1nc(-c3ccccc3)[n-]o1)C(=O)N2 ZINC000726738357 574569278 /nfs/dbraw/zinc/56/92/78/574569278.db2.gz QKWVOZNXCKQWHV-UHFFFAOYSA-N -1 1 333.351 3.067 20 30 EGEDMM C=CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000727039241 574635955 /nfs/dbraw/zinc/63/59/55/574635955.db2.gz BBXUMEAWQUNLMZ-UHFFFAOYSA-N -1 1 349.383 3.278 20 30 EGEDMM C[C@H]1CCC[C@@](C#N)([N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)C1 ZINC000735060384 575594303 /nfs/dbraw/zinc/59/43/03/575594303.db2.gz REXZFUGWCLTEFR-BLLLJJGKSA-N -1 1 336.338 3.059 20 30 EGEDMM C=CCN(CC(=O)N(C)c1ccccc1C(=O)[O-])CC1CCCCC1 ZINC000736108155 575896982 /nfs/dbraw/zinc/89/69/82/575896982.db2.gz MEYPBPKXNHOHTE-UHFFFAOYSA-N -1 1 344.455 3.416 20 30 EGEDMM C[C@H](CN(Cc1ccccc1)Cc1ccc(F)cc1C#N)C(=O)[O-] ZINC000736582421 575986687 /nfs/dbraw/zinc/98/66/87/575986687.db2.gz HRELALFVLIVIAK-CQSZACIVSA-N -1 1 326.371 3.420 20 30 EGEDMM Cc1oc(C(=O)[O-])cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000738957791 576370529 /nfs/dbraw/zinc/37/05/29/576370529.db2.gz OHPWPUGGAKAILL-UHFFFAOYSA-N -1 1 340.379 3.201 20 30 EGEDMM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742280367 576766123 /nfs/dbraw/zinc/76/61/23/576766123.db2.gz QBJVBLHLDJSHBF-ZDUSSCGKSA-N -1 1 343.449 3.265 20 30 EGEDMM N#Cc1cccc([C@@H](NCc2ccccc2OC(F)F)C(=O)[O-])c1 ZINC000833075875 601300154 /nfs/dbraw/zinc/30/01/54/601300154.db2.gz NWOKSFNBLBBNMZ-OAHLLOKOSA-N -1 1 332.306 3.075 20 30 EGEDMM C=CCc1cc(CNCc2ccc(C(=O)[O-])o2)cc(OC)c1OC ZINC000833379905 605092954 /nfs/dbraw/zinc/09/29/54/605092954.db2.gz PMNZNOVZCIPCKU-UHFFFAOYSA-N -1 1 331.368 3.013 20 30 EGEDMM Cc1cc(O)cc2c1C(=O)C(=NNc1ccc(C(=O)[O-])c(Cl)c1)O2 ZINC000833747107 605157630 /nfs/dbraw/zinc/15/76/30/605157630.db2.gz QWFNQJZWWAZSLZ-UHFFFAOYSA-N -1 1 346.726 3.053 20 30 EGEDMM C=CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823932386 608093148 /nfs/dbraw/zinc/09/31/48/608093148.db2.gz WFCAVODPDZOKCW-VOTSOKGWSA-N -1 1 338.392 3.389 20 30 EGEDMM C=CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)s2)c1 ZINC000823932386 608093149 /nfs/dbraw/zinc/09/31/49/608093149.db2.gz WFCAVODPDZOKCW-VOTSOKGWSA-N -1 1 338.392 3.389 20 30 EGEDMM CC(C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)s2)cc1C#N ZINC000824329758 609492146 /nfs/dbraw/zinc/49/21/46/609492146.db2.gz UWFWZSMSOJDBSJ-UHFFFAOYSA-N -1 1 340.412 3.199 20 30 EGEDMM CC(C)(C)n1ncc2c1[n-]c(NN=C1CCC(C)(C#N)CC1)nc2=O ZINC000834957682 1293180710 /nfs/dbraw/zinc/18/07/10/1293180710.db2.gz NHCCZELIHDZMAI-UHFFFAOYSA-N -1 1 341.419 3.159 20 30 EGEDMM C#CCCCC[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000126601044 1293538783 /nfs/dbraw/zinc/53/87/83/1293538783.db2.gz UVMJJZLMZIAALZ-UHFFFAOYSA-N -1 1 339.766 3.441 20 30 EGEDMM C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000130756916 1293668371 /nfs/dbraw/zinc/66/83/71/1293668371.db2.gz 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ZINC000755604660 1300364792 /nfs/dbraw/zinc/36/47/92/1300364792.db2.gz RNMKBMOHFQPTDT-HNNXBMFYSA-N -1 1 325.368 3.287 20 30 EGEDMM COc1ccc(C(=O)/C=C\c2cccc(O[C@@H](C)C(=O)[O-])c2)c(O)c1 ZINC000757471562 1300673129 /nfs/dbraw/zinc/67/31/29/1300673129.db2.gz GDCNFXYEQDCGIM-PWWFUAJNSA-N -1 1 342.347 3.149 20 30 EGEDMM COCCOc1ccccc1/C=C/C(=O)c1cc(C(=O)[O-])ccc1O ZINC000757474621 1300675464 /nfs/dbraw/zinc/67/54/64/1300675464.db2.gz VNQJKVLNYBADQS-SOFGYWHQSA-N -1 1 342.347 3.012 20 30 EGEDMM COc1ccc([O-])c(C(=O)/C=C/c2cc3c(cc2OC)OCO3)c1 ZINC000758933041 1300983262 /nfs/dbraw/zinc/98/32/62/1300983262.db2.gz ZNLKDGWBHHOVQM-HWKANZROSA-N -1 1 328.320 3.034 20 30 EGEDMM N#Cc1cccc([C@H]2CN(C(=O)c3c([O-])cccc3Cl)CCO2)c1 ZINC000762293983 1301652916 /nfs/dbraw/zinc/65/29/16/1301652916.db2.gz BOIVKQIDCXDYPI-MRXNPFEDSA-N -1 1 342.782 3.131 20 30 EGEDMM C=CCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764803623 1302139648 /nfs/dbraw/zinc/13/96/48/1302139648.db2.gz DTUWZEFTAZKKIE-UHFFFAOYSA-N -1 1 327.222 3.310 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JAOPPHUGOLNGSS-VOTSOKGWSA-N -1 1 344.378 3.027 20 30 EGEDMM C#CCCCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OC ZINC000823841176 1441554383 /nfs/dbraw/zinc/55/43/83/1441554383.db2.gz JUZFRRSNEIMRHO-UHFFFAOYSA-N -1 1 348.790 3.018 20 30 EGEDMM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503491 1441782183 /nfs/dbraw/zinc/78/21/83/1441782183.db2.gz FQOCCAROYRVECG-KPKJPENVSA-N -1 1 338.317 3.357 20 30 EGEDMM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CO2 ZINC000737379530 1442015103 /nfs/dbraw/zinc/01/51/03/1442015103.db2.gz YYXBBEONJYDZHA-DHDCSXOGSA-N -1 1 332.363 3.142 20 30 EGEDMM C=CCCC(N=Nc1oc(CC(C)C)nc1-c1nnn[n-]1)C1CC1 ZINC000823888454 1442124607 /nfs/dbraw/zinc/12/46/07/1442124607.db2.gz MUFLPSYZNCKUIY-UHFFFAOYSA-N -1 1 329.408 3.197 20 30 EGEDMM O=C1c2cc(Cl)ccc2OCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475455 1443588380 /nfs/dbraw/zinc/58/83/80/1443588380.db2.gz GOWMMBSECDRKJH-GHXNOFRVSA-N -1 1 338.754 3.179 20 30 EGEDMM C=CCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735409303 1443655001 /nfs/dbraw/zinc/65/50/01/1443655001.db2.gz YROYAMFFPQCEHI-UHFFFAOYSA-N -1 1 349.394 3.350 20 30 EGEDMM COc1ccc([C@H](C)C(C)N=Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821778063 1443976423 /nfs/dbraw/zinc/97/64/23/1443976423.db2.gz SRHOPOSORQZQAP-GFCCVEGCSA-N -1 1 336.399 3.467 20 30 EGEDMM CCc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)s1 ZINC000736676823 1446179878 /nfs/dbraw/zinc/17/98/78/1446179878.db2.gz FMKPRONHDPONFB-DAXSKMNVSA-N -1 1 340.408 3.395 20 30 EGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(F)ccc1F ZINC000823953507 1446520808 /nfs/dbraw/zinc/52/08/08/1446520808.db2.gz CWQQNWZEPADWKZ-UHFFFAOYSA-N -1 1 349.732 3.029 20 30 EGEDMM COc1ccc(C=NNc2cccc(Cl)c2F)cc1-c1nnn[n-]1 ZINC000737084150 1446582981 /nfs/dbraw/zinc/58/29/81/1446582981.db2.gz XYSHDMNPLOTLEQ-UHFFFAOYSA-N -1 1 346.753 3.114 20 30 EGEDMM COc1ccc(CNc2c(Cl)cccc2C#N)cc1-c1nnn[n-]1 ZINC000826203281 1446782958 /nfs/dbraw/zinc/78/29/58/1446782958.db2.gz HNCGNGFXFJUAQM-UHFFFAOYSA-N -1 1 340.774 3.012 20 30 EGEDMM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403476 1447122356 /nfs/dbraw/zinc/12/23/56/1447122356.db2.gz TXBHBYCZSBHYTR-KTKRTIGZSA-N -1 1 337.408 3.098 20 30 EGEDMM C[C@H]1C(N=Nc2ccc(C(=O)[O-])cn2)CCC[N@H+]1Cc1ccccc1 ZINC000814890300 978896875 /nfs/dbraw/zinc/89/68/75/978896875.db2.gz KTBNCSYLTQGZKH-AWEZNQCLSA-N -1 1 338.411 3.232 20 30 EGEDMM C[C@H]1C(N=Nc2ccc(C(=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000814890300 978896883 /nfs/dbraw/zinc/89/68/83/978896883.db2.gz KTBNCSYLTQGZKH-AWEZNQCLSA-N -1 1 338.411 3.232 20 30 EGEDMM C=CCOc1c(Cl)cc(CN2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000901415630 980261447 /nfs/dbraw/zinc/26/14/47/980261447.db2.gz NIXVXWKURZDNKL-ZDUSSCGKSA-N -1 1 339.819 3.210 20 30 EGEDMM CCN(Cc1cccc(C(=O)[O-])c1C#N)C[C@H](O)c1ccc(C)cc1 ZINC001596364682 983851790 /nfs/dbraw/zinc/85/17/90/983851790.db2.gz XJDPQSGNGOAKTF-IBGZPJMESA-N -1 1 338.407 3.120 20 30 EGEDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001589469333 986940925 /nfs/dbraw/zinc/94/09/25/986940925.db2.gz QVBIIDXJPIVTMS-SJKOYZFVSA-N -1 1 339.351 3.018 20 30 EGEDMM C[C@]1(C(=O)[O-])CCCN(Cc2ccc(C#N)cc2Br)C1 ZINC001593777170 996482774 /nfs/dbraw/zinc/48/27/74/996482774.db2.gz XVOLLALTYDJFFJ-HNNXBMFYSA-N -1 1 337.217 3.007 20 30 EGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OC(C)C ZINC000185634605 144116671 /nfs/dbraw/zinc/11/66/71/144116671.db2.gz UBCRIUNEUZVJNJ-UHFFFAOYSA-N -1 1 346.408 3.155 20 30 EGEDMM N#Cc1cscc1C(=O)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000343877808 164056175 /nfs/dbraw/zinc/05/61/75/164056175.db2.gz WWFWZZJNUZHBAR-UHFFFAOYSA-N -1 1 334.813 3.399 20 30 EGEDMM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1(C)C ZINC000443289154 267010925 /nfs/dbraw/zinc/01/09/25/267010925.db2.gz YFOQUJNMOZFPAM-IAGOWNOFSA-N -1 1 330.428 3.320 20 30 EGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1OC ZINC000435725253 267171053 /nfs/dbraw/zinc/17/10/53/267171053.db2.gz ZYYYQXDUFFRNTA-UHFFFAOYSA-N -1 1 346.408 3.075 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1C#N ZINC000435733804 268019465 /nfs/dbraw/zinc/01/94/65/268019465.db2.gz WVFIEVOJEFXBKS-UHFFFAOYSA-N -1 1 342.420 3.456 20 30 EGEDMM N#Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1[O-] ZINC000190559304 268037555 /nfs/dbraw/zinc/03/75/55/268037555.db2.gz WNKUYNDBEHBDRG-UHFFFAOYSA-N -1 1 338.260 3.352 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000553820371 315284466 /nfs/dbraw/zinc/28/44/66/315284466.db2.gz YSESVQAGLMGLJW-NVXWUHKLSA-N -1 1 344.436 3.231 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1F ZINC000563769207 316066256 /nfs/dbraw/zinc/06/62/56/316066256.db2.gz YVWPXFNYJXAAJR-UHFFFAOYSA-N -1 1 348.403 3.269 20 30 EGEDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000230338420 456137422 /nfs/dbraw/zinc/13/74/22/456137422.db2.gz HHTTUVYOWRSPOU-UHFFFAOYSA-N -1 1 328.802 3.083 20 30 EGEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000416529221 458349615 /nfs/dbraw/zinc/34/96/15/458349615.db2.gz JQKOKKPVHANTNO-UHFFFAOYSA-N -1 1 339.219 3.351 20 30 EGEDMM CCc1ccc([C@@H]2CN(C(=O)c3cc([O-])cc(C#N)c3)CCO2)cc1 ZINC000616543551 460586564 /nfs/dbraw/zinc/58/65/64/460586564.db2.gz JCYCGUHYDZEWRU-IBGZPJMESA-N -1 1 336.391 3.040 20 30 EGEDMM CC(C)OCc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000026252966 453795483 /nfs/dbraw/zinc/79/54/83/453795483.db2.gz IWOJIFLWMROYOB-UHFFFAOYSA-N -1 1 328.294 3.385 20 30 EGEDMM C=C(C)CN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)n[n-]c1=S ZINC000052819287 453846566 /nfs/dbraw/zinc/84/65/66/453846566.db2.gz QYGMYWOXAOJZFB-UHFFFAOYSA-N -1 1 346.456 3.041 20 30 EGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000066587688 453853779 /nfs/dbraw/zinc/85/37/79/453853779.db2.gz TXXXIEHTPGYTKN-UHFFFAOYSA-N -1 1 333.409 3.451 20 30 EGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)ccc2C)n1 ZINC000067895427 453977777 /nfs/dbraw/zinc/97/77/77/453977777.db2.gz QQMYAFOUNVXYOB-ZDUSSCGKSA-N -1 1 328.393 3.427 20 30 EGEDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc2O1 ZINC000084649920 454003176 /nfs/dbraw/zinc/00/31/76/454003176.db2.gz FKTLCVGGJCWVHN-UHFFFAOYSA-N -1 1 328.393 3.073 20 30 EGEDMM CC(=O)Nc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190926150 455407931 /nfs/dbraw/zinc/40/79/31/455407931.db2.gz USGSHJDYKCXWBL-HNNXBMFYSA-N -1 1 330.347 3.078 20 30 EGEDMM COCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000077704800 454144700 /nfs/dbraw/zinc/14/47/00/454144700.db2.gz MEDOVAKOOFHICN-UHFFFAOYSA-N -1 1 336.800 3.159 20 30 EGEDMM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CCCCCCC2)cc1 ZINC000058200337 454170973 /nfs/dbraw/zinc/17/09/73/454170973.db2.gz BOMUHEATSPFTAH-UHFFFAOYSA-N -1 1 339.417 3.115 20 30 EGEDMM CCOC(=O)c1ccc(NC(=O)c2ccc(C#N)c(Cl)c2)c([O-])c1 ZINC000133504424 454433088 /nfs/dbraw/zinc/43/30/88/454433088.db2.gz TXDCZBUGNKXFMD-UHFFFAOYSA-N -1 1 344.754 3.346 20 30 EGEDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1Cl ZINC000074935189 454662003 /nfs/dbraw/zinc/66/20/03/454662003.db2.gz IBIPRRFHJWUGJU-UHFFFAOYSA-N -1 1 336.800 3.330 20 30 EGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000123712615 454667558 /nfs/dbraw/zinc/66/75/58/454667558.db2.gz GGXKDDSVAKPAEM-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000154220551 454875481 /nfs/dbraw/zinc/87/54/81/454875481.db2.gz UXYSTHISVVSVMG-UHFFFAOYSA-N -1 1 344.436 3.054 20 30 EGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000114673508 454968257 /nfs/dbraw/zinc/96/82/57/454968257.db2.gz ILPUQFUKTSOIIJ-UHFFFAOYSA-N -1 1 329.406 3.277 20 30 EGEDMM C=CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000159340088 455370546 /nfs/dbraw/zinc/37/05/46/455370546.db2.gz IRDZOEVFZHMPBN-UHFFFAOYSA-N -1 1 330.409 3.392 20 30 EGEDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C#N)ccc2C)[nH]n1 ZINC000159881000 455412701 /nfs/dbraw/zinc/41/27/01/455412701.db2.gz KGYVKFZVMOFHKZ-NSHDSACASA-N -1 1 332.429 3.294 20 30 EGEDMM C=CCOc1cccc(C=C(C)c2ncc(C(=O)OCC)c(=O)[n-]2)c1 ZINC000193265669 455750051 /nfs/dbraw/zinc/75/00/51/455750051.db2.gz MWZFPEKXBOXHON-JLHYYAGUSA-N -1 1 340.379 3.072 20 30 EGEDMM N#Cc1ccc(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)cc1[O-] ZINC000188366101 456051332 /nfs/dbraw/zinc/05/13/32/456051332.db2.gz YICVNSCIMUTLRJ-UHFFFAOYSA-N -1 1 339.370 3.120 20 30 EGEDMM C[C@H]1C[C@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC([O-])=N1 ZINC000329355201 456878287 /nfs/dbraw/zinc/87/82/87/456878287.db2.gz VPYVTNUOGGXGLC-JQWIXIFHSA-N -1 1 340.387 3.018 20 30 EGEDMM O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)c1ncccc1[O-] ZINC000329736407 456933868 /nfs/dbraw/zinc/93/38/68/456933868.db2.gz LKSNCQOPLPVTBL-CQSZACIVSA-N -1 1 326.400 3.481 20 30 EGEDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000330214024 457004825 /nfs/dbraw/zinc/00/48/25/457004825.db2.gz FWAPJYMKWDCTQQ-NSHDSACASA-N -1 1 337.445 3.009 20 30 EGEDMM Cc1cnc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c([O-])c1 ZINC000330248731 457011850 /nfs/dbraw/zinc/01/18/50/457011850.db2.gz ZLTVPSFZKNKTAK-SFHVURJKSA-N -1 1 338.407 3.494 20 30 EGEDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc(C#N)c3)ccc21 ZINC000356571546 457062749 /nfs/dbraw/zinc/06/27/49/457062749.db2.gz XVDPQXFBYRPVQP-UHFFFAOYSA-N -1 1 340.408 3.290 20 30 EGEDMM N#CCCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000360018577 457206192 /nfs/dbraw/zinc/20/61/92/457206192.db2.gz URPIMUGRAZSTPG-UHFFFAOYSA-N -1 1 343.408 3.120 20 30 EGEDMM Cc1cc(C(C#N)=C([O-])c2cnn(-c3ccccc3C)c2)nc(C)n1 ZINC000351678550 457312133 /nfs/dbraw/zinc/31/21/33/457312133.db2.gz XETIBPSRBOZMTI-MRXNPFEDSA-N -1 1 331.379 3.078 20 30 EGEDMM CSCCc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1 ZINC000355865964 457424621 /nfs/dbraw/zinc/42/46/21/457424621.db2.gz JEZIMVKLCCSAAC-UHFFFAOYSA-N -1 1 346.477 3.459 20 30 EGEDMM CO[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000443292720 457653826 /nfs/dbraw/zinc/65/38/26/457653826.db2.gz WBPUZRTYWUZHMK-INIZCTEOSA-N -1 1 330.771 3.035 20 30 EGEDMM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc2ccccc2[nH]1 ZINC000357778958 457686844 /nfs/dbraw/zinc/68/68/44/457686844.db2.gz KEBNHXGBWOXBFA-SNVBAGLBSA-N -1 1 347.300 3.120 20 30 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Fc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c2ncccc2c1 ZINC000822748309 1429194582 /nfs/dbraw/zinc/19/45/82/1429194582.db2.gz SSVLZHDABJXHIL-UHFFFAOYSA-N -1 1 333.330 3.000 20 30 EGEDMM N#Cc1cnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c(Cl)c1 ZINC000737728011 1429378691 /nfs/dbraw/zinc/37/86/91/1429378691.db2.gz HFJHUDOECUVWEJ-UHFFFAOYSA-N -1 1 333.138 3.232 20 30 EGEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000826211929 1424972978 /nfs/dbraw/zinc/97/29/78/1424972978.db2.gz ALDUJOLKUSECPQ-UVTDQMKNSA-N -1 1 332.363 3.088 20 30 EGEDMM CN(CC#Cc1ccc(Cl)cc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821592526 1425153579 /nfs/dbraw/zinc/15/35/79/1425153579.db2.gz JSLORVOLJABFSC-UHFFFAOYSA-N -1 1 337.814 3.004 20 30 EGEDMM CN(CC#Cc1ccc(Cl)cc1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821592526 1425153580 /nfs/dbraw/zinc/15/35/80/1425153580.db2.gz JSLORVOLJABFSC-UHFFFAOYSA-N -1 1 337.814 3.004 20 30 EGEDMM N#Cc1ccc(NC(=O)CCC=Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000737716828 1426059659 /nfs/dbraw/zinc/05/96/59/1426059659.db2.gz 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CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(SC)c(Br)c1 ZINC000600657809 460562071 /nfs/dbraw/zinc/56/20/71/460562071.db2.gz UOSWFCMPWRVTGG-VIFPVBQESA-N -1 1 349.275 3.215 20 30 EGEDMM CCOc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1 ZINC000055192948 453968773 /nfs/dbraw/zinc/96/87/73/453968773.db2.gz ONPAAXBALNTLDR-UHFFFAOYSA-N -1 1 328.294 3.443 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000041521649 453969887 /nfs/dbraw/zinc/96/98/87/453969887.db2.gz MOVLCOJIXWVSGE-ONGXEEELSA-N -1 1 343.433 3.374 20 30 EGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c1 ZINC000057124078 454103702 /nfs/dbraw/zinc/10/37/02/454103702.db2.gz WKAFLBIVYSEPHU-UHFFFAOYSA-N -1 1 331.393 3.255 20 30 EGEDMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000078969152 454345772 /nfs/dbraw/zinc/34/57/72/454345772.db2.gz ZKINUTQFKRGXLA-UHFFFAOYSA-N -1 1 334.784 3.215 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)c1 ZINC000079830908 454486821 /nfs/dbraw/zinc/48/68/21/454486821.db2.gz 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EGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccc(F)c1F ZINC000823504280 1443246118 /nfs/dbraw/zinc/24/61/18/1443246118.db2.gz OJSCWBMKEKUKMG-FMIVXFBMSA-N -1 1 338.317 3.357 20 30 EGEDMM CCCCCCCCOCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736448118 1443431630 /nfs/dbraw/zinc/43/16/30/1443431630.db2.gz JUGVCJCOOKLYNV-UHFFFAOYSA-N -1 1 337.449 3.244 20 30 EGEDMM N#Cc1cc(F)ccc1CSCc1cccc(-c2nnn[n-]2)c1F ZINC000826384207 1443498951 /nfs/dbraw/zinc/49/89/51/1443498951.db2.gz LOOURFIFUYDWTO-UHFFFAOYSA-N -1 1 343.362 3.450 20 30 EGEDMM CCCCCCCCC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821048958 1443840797 /nfs/dbraw/zinc/84/07/97/1443840797.db2.gz HFSHTVGWINMQBL-UHFFFAOYSA-N -1 1 333.411 3.373 20 30 EGEDMM CCO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1(C)C ZINC000825576127 1443927177 /nfs/dbraw/zinc/92/71/77/1443927177.db2.gz CNIALUMVDHTDHN-ZDUSSCGKSA-N -1 1 334.811 3.123 20 30 EGEDMM C[C@@H](Nc1ccc(F)cc1OCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820456911 1443928550 /nfs/dbraw/zinc/92/85/50/1443928550.db2.gz 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YSESVQAGLMGLJW-RDJZCZTQSA-N -1 1 344.436 3.231 20 30 EGEDMM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553830044 315284525 /nfs/dbraw/zinc/28/45/25/315284525.db2.gz JJFZKHRHOOLNKH-UHFFFAOYSA-N -1 1 332.425 3.186 20 30 EGEDMM CC(C)c1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553898521 315287535 /nfs/dbraw/zinc/28/75/35/315287535.db2.gz QNFBEFISQUTXRO-CYBMUJFWSA-N -1 1 348.424 3.020 20 30 EGEDMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1C ZINC000172123645 323269617 /nfs/dbraw/zinc/26/96/17/323269617.db2.gz JJXJUDBIBJOKNJ-UHFFFAOYSA-N -1 1 330.409 3.293 20 30 EGEDMM CSc1[n-]c(=O)c(C(=O)Nc2cccc3cccnc32)cc1C#N ZINC000027610317 453819535 /nfs/dbraw/zinc/81/95/35/453819535.db2.gz WZYLIVWPUUUECW-UHFFFAOYSA-N -1 1 336.376 3.181 20 30 EGEDMM CSCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000041510007 453969934 /nfs/dbraw/zinc/96/99/34/453969934.db2.gz XSPZQWRJWKTNFX-HNNXBMFYSA-N -1 1 340.452 3.358 20 30 EGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000068076911 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Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(C#N)c([O-])c2)[C@H](C)CO1 ZINC000188566741 456085509 /nfs/dbraw/zinc/08/55/09/456085509.db2.gz ZZRHCKKFIQJRER-KUHUBIRLSA-N -1 1 336.391 3.175 20 30 EGEDMM C=CCN1CC[C@@H](Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)C1=O ZINC000280989579 456103359 /nfs/dbraw/zinc/10/33/59/456103359.db2.gz MLYXYALOYUUGSR-CQSZACIVSA-N -1 1 341.436 3.037 20 30 EGEDMM Cc1cc(Br)c([O-])c(NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c1 ZINC000329348561 456876230 /nfs/dbraw/zinc/87/62/30/456876230.db2.gz SGQSWBCIYPILCL-XTWCZFFVSA-N -1 1 326.190 3.476 20 30 EGEDMM COCCn1c(C)c(C)c2cc(C([O-])=C(C#N)c3ccncn3)ccc21 ZINC000354458702 457236716 /nfs/dbraw/zinc/23/67/16/457236716.db2.gz CLHUJKIOWCJTGY-QGZVFWFLSA-N -1 1 348.406 3.185 20 30 EGEDMM N#CCCCn1cc(C([O-])=C(C#N)c2ccncn2)c2ccccc21 ZINC000447607021 458321525 /nfs/dbraw/zinc/32/15/25/458321525.db2.gz OXDHBELBIAQODA-HNNXBMFYSA-N -1 1 329.363 3.225 20 30 EGEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H](C#N)C(C)(C)C)c([O-])c1 ZINC000495683305 458918502 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/nfs/dbraw/zinc/08/48/31/1371084831.db2.gz NMUDLMDHGDFPRZ-CIAFOILYSA-N -1 1 344.386 3.142 20 30 EGEDMM CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC(CC#N)CC1 ZINC001121791031 1372082231 /nfs/dbraw/zinc/08/22/31/1372082231.db2.gz CCJZSQHTDNUUIF-UHFFFAOYSA-N -1 1 345.834 3.454 20 30 EGEDMM N#Cc1cncc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)c1 ZINC001210083756 1372268840 /nfs/dbraw/zinc/26/88/40/1372268840.db2.gz VWPIWMOZIRFZBO-AWQFTUOYSA-N -1 1 348.391 3.232 20 30 EGEDMM CCOC(=O)c1cc(Nc2ccc(C#N)cc2[O-])cc([N+](=O)[O-])c1 ZINC001211373977 1372542838 /nfs/dbraw/zinc/54/28/38/1372542838.db2.gz CEPJPUHMIOFZQJ-UHFFFAOYSA-N -1 1 327.296 3.092 20 30 EGEDMM CCOC(=O)c1cc(C#N)c(Nc2cc(F)c([O-])c(F)c2)c(C)c1O ZINC001213384289 1372897989 /nfs/dbraw/zinc/89/79/89/1372897989.db2.gz CZYVIOGYLLFLLB-UHFFFAOYSA-N -1 1 348.305 3.476 20 30 EGEDMM C[C@H](NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cccc(C#N)c1 ZINC001219675714 1373724346 /nfs/dbraw/zinc/72/43/46/1373724346.db2.gz JTMBFYKCERMSHW-ZDUSSCGKSA-N -1 1 347.378 3.332 20 30 EGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001227119925 1375394089 /nfs/dbraw/zinc/39/40/89/1375394089.db2.gz BCSIVWKNNBXIBO-ZIAGYGMSSA-N -1 1 332.396 3.434 20 30 EGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001227120401 1375394315 /nfs/dbraw/zinc/39/43/15/1375394315.db2.gz KDRZCJDTPQASQO-UONOGXRCSA-N -1 1 332.396 3.434 20 30 EGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@H](C(=O)OCC)C(F)(F)F ZINC001227123915 1375394583 /nfs/dbraw/zinc/39/45/83/1375394583.db2.gz ZZPJPBPRANRVHK-CQSZACIVSA-N -1 1 346.301 3.196 20 30 EGEDMM C#C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C(C)C ZINC001228108002 1375517874 /nfs/dbraw/zinc/51/78/74/1375517874.db2.gz ASMSUNKRJKNUID-INIZCTEOSA-N -1 1 326.348 3.071 20 30 EGEDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)[C@H](C)S ZINC001228110903 1375518426 /nfs/dbraw/zinc/51/84/26/1375518426.db2.gz OBTAXHSFJABXSZ-ZJUUUORDSA-N -1 1 334.393 3.120 20 30 EGEDMM C/C(=N\[O-])c1ccccc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001229742061 1375883898 /nfs/dbraw/zinc/88/38/98/1375883898.db2.gz XECIFFXUVTWIHF-PVONCNHASA-N -1 1 338.379 3.221 20 30 EGEDMM CC(C)Oc1ccc(C(=O)Nc2ccc3[nH][n-]c(=O)c3c2)cc1C#N ZINC001148773007 1379265708 /nfs/dbraw/zinc/26/57/08/1379265708.db2.gz PBYJIDRDHHOCSU-UHFFFAOYSA-N -1 1 336.351 3.180 20 30 EGEDMM C=CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148813752 1379273971 /nfs/dbraw/zinc/27/39/71/1379273971.db2.gz GHXRUSXATMHUGS-NSHDSACASA-N -1 1 329.227 3.079 20 30 EGEDMM C=CCN(C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)C1CCCCC1 ZINC001154555775 1380304603 /nfs/dbraw/zinc/30/46/03/1380304603.db2.gz JULLZSSVHBVHAT-UHFFFAOYSA-N -1 1 335.407 3.361 20 30 EGEDMM N#Cc1oc2ccccc2c1[N-]C(=O)c1cc2n(n1)CC1(CCC1)CO2 ZINC001156165301 1380534893 /nfs/dbraw/zinc/53/48/93/1380534893.db2.gz PBULWIPFUQFYBE-UHFFFAOYSA-N -1 1 348.362 3.316 20 30 EGEDMM [O-]N=C(Nc1c[n+]([O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC001163769075 1383120206 /nfs/dbraw/zinc/12/02/06/1383120206.db2.gz NUCMRCJYYRRHDS-UHFFFAOYSA-N -1 1 347.680 3.120 20 30 EGEDMM C=CCSc1ccccc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001320454738 1386613950 /nfs/dbraw/zinc/61/39/50/1386613950.db2.gz QHTFMUMDWVAWJM-UHFFFAOYSA-N -1 1 344.388 3.416 20 30 EGEDMM COCCC1(C(=O)Nc2ccc(C#N)cc2[O-])CCC(F)(F)CC1 ZINC001182441509 1387167162 /nfs/dbraw/zinc/16/71/62/1387167162.db2.gz UROBUXXYTPDJLY-UHFFFAOYSA-N -1 1 338.354 3.435 20 30 EGEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CCC(=C)CC1 ZINC001343873332 1390741460 /nfs/dbraw/zinc/74/14/60/1390741460.db2.gz WNDJQWWAGKHYIC-UHFFFAOYSA-N -1 1 345.834 3.432 20 30 EGEDMM CCn1cc(C([O-])=C(C#N)c2nc3c(cccc3Cl)[nH]2)c(C)n1 ZINC001346150194 1390911321 /nfs/dbraw/zinc/91/13/21/1390911321.db2.gz ILBKYVSSPBUICW-SNVBAGLBSA-N -1 1 327.775 3.231 20 30 EGEDMM CC(C)(C#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735571455 1428276032 /nfs/dbraw/zinc/27/60/32/1428276032.db2.gz DJMZTBLIKDCFBD-UHFFFAOYSA-N -1 1 348.366 3.147 20 30 EGEDMM Cc1ccsc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000735451350 1428846069 /nfs/dbraw/zinc/84/60/69/1428846069.db2.gz YJOQTUDQUFVZHT-UHFFFAOYSA-N -1 1 331.405 3.184 20 30 EGEDMM C[C@@H](NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000820438684 1424539028 /nfs/dbraw/zinc/53/90/28/1424539028.db2.gz USZDYZVREIJEAJ-CYBMUJFWSA-N -1 1 332.411 3.258 20 30 EGEDMM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000822935832 1424920222 /nfs/dbraw/zinc/92/02/22/1424920222.db2.gz OSLJKEAWTCGOCA-KTKRTIGZSA-N -1 1 327.347 3.311 20 30 EGEDMM N#CCOc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000737697803 1424960824 /nfs/dbraw/zinc/96/08/24/1424960824.db2.gz NFJIDDRQLBQHNW-UHFFFAOYSA-N -1 1 341.758 3.001 20 30 EGEDMM N#CCCCOc1cccc(NCc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822806040 1425311375 /nfs/dbraw/zinc/31/13/75/1425311375.db2.gz IGWKAHWRQNUJSM-UHFFFAOYSA-N -1 1 340.412 3.223 20 30 EGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000823958831 1425567571 /nfs/dbraw/zinc/56/75/71/1425567571.db2.gz YIDQXHUICBJZBB-UHFFFAOYSA-N -1 1 348.197 3.405 20 30 EGEDMM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000823958831 1425567576 /nfs/dbraw/zinc/56/75/76/1425567576.db2.gz YIDQXHUICBJZBB-UHFFFAOYSA-N -1 1 348.197 3.405 20 30 EGEDMM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820206580 1426475286 /nfs/dbraw/zinc/47/52/86/1426475286.db2.gz RBQRJXOGZWTIHF-BQYQJAHWSA-N -1 1 325.397 3.343 20 30 EGEDMM C[C@H]1CCC[C@@H](CCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000820697110 1426510576 /nfs/dbraw/zinc/51/05/76/1426510576.db2.gz DXLXOAACINJGCG-QWRGUYRKSA-N -1 1 343.460 3.024 20 30 EGEDMM CCC[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736417717 1426587948 /nfs/dbraw/zinc/58/79/48/1426587948.db2.gz VFOQXVVSYGLOGD-INIZCTEOSA-N -1 1 346.394 3.261 20 30 EGEDMM Cc1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822204409 1427121855 /nfs/dbraw/zinc/12/18/55/1427121855.db2.gz OCRMNOFZVZSMHF-QPJJXVBHSA-N -1 1 326.306 3.349 20 30 EGEDMM N#Cc1ccccc1SCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000822842637 1427573973 /nfs/dbraw/zinc/57/39/73/1427573973.db2.gz 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EGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1c(F)cccc1F ZINC000823498392 1443428365 /nfs/dbraw/zinc/42/83/65/1443428365.db2.gz NMQLLODBYARSLR-PKNBQFBNSA-N -1 1 338.317 3.357 20 30 EGEDMM C=C[C@@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882607 1443946768 /nfs/dbraw/zinc/94/67/68/1443946768.db2.gz AJXJVLUAJZVANX-AWEZNQCLSA-N -1 1 333.395 3.189 20 30 EGEDMM O=C1c2cc(Cl)ccc2OC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503500 1444008460 /nfs/dbraw/zinc/00/84/60/1444008460.db2.gz FVDBAJMOKFHGAJ-MKMNVTDBSA-N -1 1 342.717 3.275 20 30 EGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)nc1 ZINC000823504769 1446119016 /nfs/dbraw/zinc/11/90/16/1446119016.db2.gz ULJJYLNXECYLPG-GHXNOFRVSA-N -1 1 337.770 3.128 20 30 EGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC[C@H](C)c2cccc(Cl)c2)o1 ZINC000826322763 1446520422 /nfs/dbraw/zinc/52/04/22/1446520422.db2.gz ANGMGXWNWLCPOW-QMMMGPOBSA-N -1 1 331.767 3.018 20 30 EGEDMM O=C1c2cc(Cl)ccc2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826476023 1446958380 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Cc1cc(F)ccc1C(C)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000735450844 1424792622 /nfs/dbraw/zinc/79/26/22/1424792622.db2.gz FZEFJZCUOKPDIK-UHFFFAOYSA-N -1 1 343.366 3.262 20 30 EGEDMM O=C(C=Cc1cccc(F)c1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826401212 1424952904 /nfs/dbraw/zinc/95/29/04/1424952904.db2.gz SNMSNXXROWVOOG-ALCCZGGFSA-N -1 1 330.269 3.180 20 30 EGEDMM C=CCC(CC=C)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000819733929 1425181432 /nfs/dbraw/zinc/18/14/32/1425181432.db2.gz FLWPXDUJMGZVRG-UHFFFAOYSA-N -1 1 331.807 3.251 20 30 EGEDMM Cc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000823953586 1425430126 /nfs/dbraw/zinc/43/01/26/1425430126.db2.gz ICARQSWPFCFCSD-UHFFFAOYSA-N -1 1 327.779 3.060 20 30 EGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(C)cc1 ZINC000823953586 1425430130 /nfs/dbraw/zinc/43/01/30/1425430130.db2.gz ICARQSWPFCFCSD-UHFFFAOYSA-N -1 1 327.779 3.060 20 30 EGEDMM N#Cc1ccc(NCc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000737718952 1425512289 /nfs/dbraw/zinc/51/22/89/1425512289.db2.gz OAZAEIWUAWZFPI-UHFFFAOYSA-N -1 1 344.300 3.369 20 30 EGEDMM CCOc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825654132 1426503872 /nfs/dbraw/zinc/50/38/72/1426503872.db2.gz PEAXDVOZKMNPNQ-UHFFFAOYSA-N -1 1 342.790 3.365 20 30 EGEDMM C=CCNc1nnc(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735433003 1427084276 /nfs/dbraw/zinc/08/42/76/1427084276.db2.gz XYZMECYMKFITHW-SECBINFHSA-N -1 1 345.457 3.169 20 30 EGEDMM C[C@@H]1CCC[C@@H](CCSc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC000820697107 1427195385 /nfs/dbraw/zinc/19/53/85/1427195385.db2.gz DXLXOAACINJGCG-MNOVXSKESA-N -1 1 343.460 3.024 20 30 EGEDMM N#C[C@@H](Cc1ccccc1)Sc1ccc(-c2nnn[n-]2)cc1F ZINC000737674857 1427609160 /nfs/dbraw/zinc/60/91/60/1427609160.db2.gz MACIGATUPSIKEM-CYBMUJFWSA-N -1 1 325.372 3.233 20 30 EGEDMM C[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000824384959 1427944281 /nfs/dbraw/zinc/94/42/81/1427944281.db2.gz INWYPSSVALNJIR-LBPRGKRZSA-N -1 1 340.818 3.399 20 30 EGEDMM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403345 1427982992 /nfs/dbraw/zinc/98/29/92/1427982992.db2.gz PQRLNKGNKPSYRO-VURMDHGXSA-N -1 1 345.337 3.450 20 30 EGEDMM N#Cc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822837373 1429782570 /nfs/dbraw/zinc/78/25/70/1429782570.db2.gz LQAFMVPQVAWGCS-ZSOIEALJSA-N -1 1 345.337 3.090 20 30 EGEDMM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccccc1-c1nnn[n-]1 ZINC000824860740 1442149692 /nfs/dbraw/zinc/14/96/92/1442149692.db2.gz XLDPLHHBKFNNBQ-ZPBHHCQCSA-N -1 1 336.326 3.095 20 30 EGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC(C)Cc2cccs2)o1 ZINC000736066486 1442315234 /nfs/dbraw/zinc/31/52/34/1442315234.db2.gz NLORRDQEWNJXGL-UHFFFAOYSA-N -1 1 345.432 3.145 20 30 EGEDMM C[C@@H](CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402100 1443246440 /nfs/dbraw/zinc/24/64/40/1443246440.db2.gz UBQJPUMKJSWBQF-ZDUSSCGKSA-N -1 1 346.394 3.261 20 30 EGEDMM O=C1c2cc(Cl)ccc2OC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823504154 1443442454 /nfs/dbraw/zinc/44/24/54/1443442454.db2.gz MUHPPZBWXBHUHP-LFYBBSHMSA-N -1 1 330.756 3.198 20 30 EGEDMM C#CC[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000823837749 1446199288 /nfs/dbraw/zinc/19/92/88/1446199288.db2.gz GYVMOAFLCDKEHS-SCLBCKFNSA-N -1 1 335.386 3.421 20 30 EGEDMM CCOc1cccc(C=N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1O ZINC000821427502 1446947078 /nfs/dbraw/zinc/94/70/78/1446947078.db2.gz UHIZDPYRBREJHQ-XHEYCZLTSA-N -1 1 337.383 3.151 20 30 EGEDMM O=C(C=Cc1cncc2ccccc12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402777 1446951006 /nfs/dbraw/zinc/95/10/06/1446951006.db2.gz BOCDMZCJTPHZEL-SOFGYWHQSA-N -1 1 345.337 3.450 20 30 EGEDMM C=CC[C@@H]1CCCC[C@@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001573329471 947420773 /nfs/dbraw/zinc/42/07/73/947420773.db2.gz KEUSTDFUQJMFAF-ZJUUUORDSA-N -1 1 334.405 3.383 20 30 EGEDMM C=CC[C@@H]1CCCC[C@@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001573329471 947420792 /nfs/dbraw/zinc/42/07/92/947420792.db2.gz KEUSTDFUQJMFAF-ZJUUUORDSA-N -1 1 334.405 3.383 20 30 EGEDMM O=C([O-])[C@H]1c2ccccc2CCN1CC#Cc1ccc(Cl)cc1 ZINC001594964307 955034961 /nfs/dbraw/zinc/03/49/61/955034961.db2.gz GNUOTVAKWIEBPZ-GOSISDBHSA-N -1 1 325.795 3.376 20 30 EGEDMM CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(C(=O)[O-])nc2)s1 ZINC001588742220 961179074 /nfs/dbraw/zinc/17/90/74/961179074.db2.gz YCQHYEKUPBBLPN-JTQLQIEISA-N -1 1 329.381 3.024 20 30 EGEDMM N#Cc1cccc(OC2CCN(Cc3ccc(C(=O)[O-])s3)CC2)c1 ZINC000903670663 981010941 /nfs/dbraw/zinc/01/09/41/981010941.db2.gz AHAXPKAPQBCCRN-UHFFFAOYSA-N -1 1 342.420 3.361 20 30 EGEDMM CCCC[C@@H](ON=C(C)C)C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC001595652135 982030982 /nfs/dbraw/zinc/03/09/82/982030982.db2.gz PFHQMKIXLCHNTO-CYBMUJFWSA-N -1 1 346.387 3.171 20 30 EGEDMM CC(=NNc1cccc(F)c1C(=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC001589017675 985006376 /nfs/dbraw/zinc/00/63/76/985006376.db2.gz ZCNALCJZRLQENS-UHFFFAOYSA-N -1 1 341.342 3.245 20 30 EGEDMM CC(C)(COCc1ccccc1)NCc1cccc(C(=O)[O-])c1C#N ZINC001590787386 990604490 /nfs/dbraw/zinc/60/44/90/990604490.db2.gz MKKVDMWFYAIPHC-UHFFFAOYSA-N -1 1 338.407 3.341 20 30 EGEDMM COc1ccccc1C[C@@H](C)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001599709907 991353150 /nfs/dbraw/zinc/35/31/50/991353150.db2.gz ZDKCTQGWLNXVED-CQSZACIVSA-N -1 1 338.407 3.328 20 30 EGEDMM COC(=O)[C@H](C)n1cccc1CN=Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC001598692083 995081123 /nfs/dbraw/zinc/08/11/23/995081123.db2.gz NUABXMINIUAVFG-JTQLQIEISA-N -1 1 349.774 3.020 20 30 EGEDMM C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000027767528 201063436 /nfs/dbraw/zinc/06/34/36/201063436.db2.gz RFXIVLJVKQEOTO-UHFFFAOYSA-N -1 1 344.436 3.020 20 30 EGEDMM C=C(C)CN(CC)C(=O)c1cc(I)ccc1[O-] ZINC000218118315 241300704 /nfs/dbraw/zinc/30/07/04/241300704.db2.gz KKAQDDMELXWFCX-UHFFFAOYSA-N -1 1 345.180 3.035 20 30 EGEDMM Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2)n1 ZINC000126830007 162314910 /nfs/dbraw/zinc/31/49/10/162314910.db2.gz CXBZHZCHZWRQMO-UHFFFAOYSA-N -1 1 339.376 3.323 20 30 EGEDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000352100706 165235384 /nfs/dbraw/zinc/23/53/84/165235384.db2.gz 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CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c1 ZINC000132575058 454350302 /nfs/dbraw/zinc/35/03/02/454350302.db2.gz ZWJQNDSRUBUCAA-UHFFFAOYSA-N -1 1 328.393 3.146 20 30 EGEDMM Cn1ncc(C([O-])=C(C#N)c2ccc3ccccc3n2)c1-n1cccc1 ZINC000048856234 454520148 /nfs/dbraw/zinc/52/01/48/454520148.db2.gz PIPXSTTWJAGBFZ-HNNXBMFYSA-N -1 1 341.374 3.249 20 30 EGEDMM C=CCn1c(-c2sc(NC(=O)/C(C)=C/C)nc2C)n[n-]c1=S ZINC000176310452 454728143 /nfs/dbraw/zinc/72/81/43/454728143.db2.gz PVIJBWJQCWWBJI-SOFGYWHQSA-N -1 1 335.458 3.463 20 30 EGEDMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1S[C@@H](C)CC#N ZINC000176469349 454749174 /nfs/dbraw/zinc/74/91/74/454749174.db2.gz KCEJINQSPRYLAK-ZDUSSCGKSA-N -1 1 342.486 3.248 20 30 EGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)cc(C(F)(F)F)c1 ZINC000125447945 454822916 /nfs/dbraw/zinc/82/29/16/454822916.db2.gz MLVUABGPWPQZJW-UHFFFAOYSA-N -1 1 342.174 3.234 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Cl)c1 ZINC000169250429 454929337 /nfs/dbraw/zinc/92/93/37/454929337.db2.gz GYBXEBFCZDNEFD-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM CCCNc1ccc(C#N)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000175789466 455497190 /nfs/dbraw/zinc/49/71/90/455497190.db2.gz QOEYYSUJYRXKDK-UHFFFAOYSA-N -1 1 346.390 3.474 20 30 EGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(F)c1 ZINC000178809692 454980550 /nfs/dbraw/zinc/98/05/50/454980550.db2.gz FJSKABRSMURYJV-UHFFFAOYSA-N -1 1 335.747 3.023 20 30 EGEDMM Cn1cc(/C=C2\Cc3cc([O-])ccc3C2=O)c(-c2ccc(C#N)cc2)n1 ZINC000187230947 455884219 /nfs/dbraw/zinc/88/42/19/455884219.db2.gz UPEFRXGLVRIOMA-CXUHLZMHSA-N -1 1 341.370 3.487 20 30 EGEDMM CO[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1cccc(Cl)c1 ZINC000188593597 456091409 /nfs/dbraw/zinc/09/14/09/456091409.db2.gz IXBKASBSVCQAHN-INIZCTEOSA-N -1 1 330.771 3.035 20 30 EGEDMM N#Cc1ccc(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1[O-] ZINC000189040375 456208726 /nfs/dbraw/zinc/20/87/26/456208726.db2.gz XFTQOUMCOZYOBZ-MRXNPFEDSA-N -1 1 342.782 3.211 20 30 EGEDMM N#Cc1cc(Cl)ccc1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 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CCOc1ccc(N(CCC#N)C(=O)c2ccc(F)c([O-])c2)cc1 ZINC001143799358 1378648112 /nfs/dbraw/zinc/64/81/12/1378648112.db2.gz GBNDHVKGTOEEBW-UHFFFAOYSA-N -1 1 328.343 3.490 20 30 EGEDMM N#CC[C@H]1CCCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144300275 1378713351 /nfs/dbraw/zinc/71/33/51/1378713351.db2.gz ZWXCWHWCKGCSQD-SNVBAGLBSA-N -1 1 327.197 3.419 20 30 EGEDMM CC(C)(C)OC(=O)c1ccccc1C(=O)Nc1ccc(C#N)cc1[O-] ZINC001148384854 1379160463 /nfs/dbraw/zinc/16/04/63/1379160463.db2.gz KVXMWGIAEVTMBP-UHFFFAOYSA-N -1 1 338.363 3.471 20 30 EGEDMM Cc1nc2ccccc2c(C(=O)Nc2n[nH]c3cccc(C#N)c32)c1[O-] ZINC001149190531 1379342853 /nfs/dbraw/zinc/34/28/53/1379342853.db2.gz NOUXRXYIGHCTBX-UHFFFAOYSA-N -1 1 343.346 3.249 20 30 EGEDMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cc(F)ccc1OC ZINC001155937080 1380506498 /nfs/dbraw/zinc/50/64/98/1380506498.db2.gz AQYYHNYCFSBDTI-OAHLLOKOSA-N -1 1 328.343 3.293 20 30 EGEDMM N#Cc1ccc(NC(=O)c2n[nH]c3cc(C(F)(F)F)ccc32)c([O-])c1 ZINC001156498914 1380584494 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CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@@H](CC#N)C1 ZINC001340115633 1390229936 /nfs/dbraw/zinc/22/99/36/1390229936.db2.gz WRWRRVPXHKVVCM-LBPRGKRZSA-N -1 1 345.834 3.454 20 30 EGEDMM [O-]c1c(O)cc(C=NNCc2ccc(F)cc2)cc1Br ZINC001333358998 1390289110 /nfs/dbraw/zinc/28/91/10/1390289110.db2.gz XTYOZONEDUUVPH-UHFFFAOYSA-N -1 1 339.164 3.123 20 30 EGEDMM N#CC(=C([O-])c1cc(C2CC2)[nH]n1)c1nccn1Cc1ccccc1 ZINC001342604339 1390631031 /nfs/dbraw/zinc/63/10/31/1390631031.db2.gz OSAOFZNKMCTKPG-HNNXBMFYSA-N -1 1 331.379 3.022 20 30 EGEDMM CCCCCCCC[C@@H](C)CC(=O)Nc1nn(C)cc1-c1nnn[n-]1 ZINC000825272250 1428865966 /nfs/dbraw/zinc/86/59/66/1428865966.db2.gz ZAMPQWZGUDJACI-CYBMUJFWSA-N -1 1 347.467 3.316 20 30 EGEDMM N#Cc1ccc(NC(=O)CCCC2CCCCC2)cc1-c1nnn[n-]1 ZINC000737715892 1429013055 /nfs/dbraw/zinc/01/30/55/1429013055.db2.gz HAFQHKHOTDGUPE-UHFFFAOYSA-N -1 1 338.415 3.427 20 30 EGEDMM CC(C)Oc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000824324376 1425357617 /nfs/dbraw/zinc/35/76/17/1425357617.db2.gz MZBDXFINFZNOBS-UHFFFAOYSA-N -1 1 340.412 3.199 20 30 EGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cccc(OC(F)F)c1 ZINC000826402085 1425844771 /nfs/dbraw/zinc/84/47/71/1425844771.db2.gz MNNFNEXPDQQOBH-HJWRWDBZSA-N -1 1 342.305 3.364 20 30 EGEDMM C=CCC[C@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894490 1425973286 /nfs/dbraw/zinc/97/32/86/1425973286.db2.gz RKJSROFCWKVXRO-INIZCTEOSA-N -1 1 326.400 3.087 20 30 EGEDMM CCCCCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736446502 1426105314 /nfs/dbraw/zinc/10/53/14/1426105314.db2.gz CKAZUGBYJQKHRO-UHFFFAOYSA-N -1 1 330.436 3.084 20 30 EGEDMM C=CCSCCNc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000735437187 1426327394 /nfs/dbraw/zinc/32/73/94/1426327394.db2.gz ZJZGIJSUNNYHPD-UHFFFAOYSA-N -1 1 329.351 3.217 20 30 EGEDMM O=C(C=Cc1cncc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000822934850 1426815358 /nfs/dbraw/zinc/81/53/58/1426815358.db2.gz DIFVJZRFEWLRBX-HJWRWDBZSA-N -1 1 327.347 3.311 20 30 EGEDMM C=CCN(Cc1ccccc1)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823919753 1426846598 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C=C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882667 1443982839 /nfs/dbraw/zinc/98/28/39/1443982839.db2.gz BJDXCSKFVGEJLU-ZDUSSCGKSA-N -1 1 344.378 3.037 20 30 EGEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc(Cl)ccc1[O-] ZINC000822922802 1444005844 /nfs/dbraw/zinc/00/58/44/1444005844.db2.gz JXAHZOYZONCUTI-RQOWECAXSA-N -1 1 332.772 3.183 20 30 EGEDMM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC000826402713 1444035471 /nfs/dbraw/zinc/03/54/71/1444035471.db2.gz AEXCEGFYYJWJDY-WAYWQWQTSA-N -1 1 333.376 3.373 20 30 EGEDMM COc1ccc(CSCc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826207844 1446236911 /nfs/dbraw/zinc/23/69/11/1446236911.db2.gz HIQICSLCUNYTJY-UHFFFAOYSA-N -1 1 337.408 3.180 20 30 EGEDMM CCOc1ccc(O)c(C=Nc2cc(-c3nnn[n-]3)ccc2Cl)c1 ZINC000821426232 1447078642 /nfs/dbraw/zinc/07/86/42/1447078642.db2.gz ALXCLIRCSDQHSI-UHFFFAOYSA-N -1 1 343.774 3.375 20 30 EGEDMM C=CC[C@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001573329470 947421256 /nfs/dbraw/zinc/42/12/56/947421256.db2.gz KEUSTDFUQJMFAF-VHSXEESVSA-N -1 1 334.405 3.383 20 30 EGEDMM C=CC[C@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001573329470 947421263 /nfs/dbraw/zinc/42/12/63/947421263.db2.gz KEUSTDFUQJMFAF-VHSXEESVSA-N -1 1 334.405 3.383 20 30 EGEDMM O=C([O-])COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000254500119 961319590 /nfs/dbraw/zinc/31/95/90/961319590.db2.gz RRRPRDMABXXUEM-UHFFFAOYSA-N -1 1 327.365 3.206 20 30 EGEDMM O=C([O-])COc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000254500119 961319608 /nfs/dbraw/zinc/31/96/08/961319608.db2.gz RRRPRDMABXXUEM-UHFFFAOYSA-N -1 1 327.365 3.206 20 30 EGEDMM O=C([O-])[C@@H]1CN(CC#Cc2cccc(Cl)c2)Cc2ccccc21 ZINC001606046114 973149519 /nfs/dbraw/zinc/14/95/19/973149519.db2.gz BNLOAUJIHMHPNI-GOSISDBHSA-N -1 1 325.795 3.376 20 30 EGEDMM O=C([O-])Cn1cc(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc21 ZINC000799868329 978842857 /nfs/dbraw/zinc/84/28/57/978842857.db2.gz VRSJNBAJSZDTRG-UHFFFAOYSA-N -1 1 333.351 3.048 20 30 EGEDMM CCOc1ccc2c(c1)CN([C@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001597142922 986893700 /nfs/dbraw/zinc/89/37/00/986893700.db2.gz PYKHSUNBMZYFOU-IBGZPJMESA-N -1 1 336.391 3.141 20 30 EGEDMM CSc1cccc(F)c1CN[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001599822642 988540631 /nfs/dbraw/zinc/54/06/31/988540631.db2.gz VVQMBAKTURVEQH-INIZCTEOSA-N -1 1 330.384 3.335 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(Cl)c(Cl)c2)c(=O)o1 ZINC000022226835 212282478 /nfs/dbraw/zinc/28/24/78/212282478.db2.gz YGGUNZUKGHNGDN-KQIUPUNMSA-N -1 1 325.147 3.222 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2csc(-c3ccsc3)n2)c(=O)o1 ZINC000222044856 241488281 /nfs/dbraw/zinc/48/82/81/241488281.db2.gz IDHNCLZVIKBVIY-SFAKSCPVSA-N -1 1 345.401 3.100 20 30 EGEDMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000422631344 269862081 /nfs/dbraw/zinc/86/20/81/269862081.db2.gz DMSWNXYHAMANLH-ZWNOBZJWSA-N -1 1 326.318 3.262 20 30 EGEDMM COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000178810003 265343948 /nfs/dbraw/zinc/34/39/48/265343948.db2.gz GLZHWPCINAGHIE-UHFFFAOYSA-N -1 1 340.763 3.160 20 30 EGEDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)[nH]n1 ZINC000291994064 266067000 /nfs/dbraw/zinc/06/70/00/266067000.db2.gz WRPJNKPJULWGHH-SNVBAGLBSA-N -1 1 336.392 3.125 20 30 EGEDMM CCOC(=O)Nc1ccc(OC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000495962595 267130969 /nfs/dbraw/zinc/13/09/69/267130969.db2.gz XDYLLKZBQUDUTF-UHFFFAOYSA-N -1 1 326.308 3.051 20 30 EGEDMM N#Cc1ccc(C(=O)NCC2(c3cccc(Cl)c3)CC2)cc1[O-] ZINC000188488283 268032555 /nfs/dbraw/zinc/03/25/55/268032555.db2.gz ZRIPOWSMPBRKCV-UHFFFAOYSA-N -1 1 326.783 3.379 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cc1[O-] ZINC000188759356 268046771 /nfs/dbraw/zinc/04/67/71/268046771.db2.gz ANNZAGZPVKGEBM-DOTOQJQBSA-N -1 1 342.782 3.177 20 30 EGEDMM N#Cc1cccc(-n2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)n2)c1 ZINC000436878142 268265056 /nfs/dbraw/zinc/26/50/56/268265056.db2.gz IOAPDFHTVDZBSG-UHFFFAOYSA-N -1 1 347.309 3.306 20 30 EGEDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c1 ZINC000171332100 323230257 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CC(C)N1c2ccccc2C(=NN=c2nc(-c3ccccc3)[n-]o2)C1=O ZINC000726739965 574569162 /nfs/dbraw/zinc/56/91/62/574569162.db2.gz ZBPCUQLWDDIDBI-UHFFFAOYSA-N -1 1 347.378 3.308 20 30 EGEDMM CCn1c(=O)c2ccccc2nc1NN=C(C)c1ccc(F)cc1[O-] ZINC000727776940 574689943 /nfs/dbraw/zinc/68/99/43/574689943.db2.gz IRHOBXDBEOXYMC-UHFFFAOYSA-N -1 1 340.358 3.097 20 30 EGEDMM Cn1c2ccccc2nc1NN=Cc1ccc([O-])c(Br)c1 ZINC000728776402 574770414 /nfs/dbraw/zinc/77/04/14/574770414.db2.gz QQHWEAXLKMMDGQ-UHFFFAOYSA-N -1 1 345.200 3.487 20 30 EGEDMM Cc1cc(CNCc2ccc(C#N)cc2F)cc(C)c1OCC(=O)[O-] ZINC000738392022 576320964 /nfs/dbraw/zinc/32/09/64/576320964.db2.gz FQYRDJLXTSJIIQ-UHFFFAOYSA-N -1 1 342.370 3.067 20 30 EGEDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)C(C#N)c1nc2ccccc2s1 ZINC000832846298 604878857 /nfs/dbraw/zinc/87/88/57/604878857.db2.gz MATGZHSHXWHTRL-JTQLQIEISA-N -1 1 339.376 3.430 20 30 EGEDMM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)[C@H](C#N)c1nc2ccccc2s1 ZINC000832846298 604878861 /nfs/dbraw/zinc/87/88/61/604878861.db2.gz 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1291996938 /nfs/dbraw/zinc/99/69/38/1291996938.db2.gz YTLQAPOMDDDASN-KRXBUXKQSA-N -1 1 346.766 3.494 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)cc(Cl)c2)c(=O)o1 ZINC000125783736 1293516873 /nfs/dbraw/zinc/51/68/73/1293516873.db2.gz NYYNJBBJKIAXMR-BAABZTOOSA-N -1 1 325.147 3.222 20 30 EGEDMM COc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc([N+](=O)[O-])c1O ZINC000170851883 1294383768 /nfs/dbraw/zinc/38/37/68/1294383768.db2.gz FOWLWIRIQUGULP-DUXPYHPUSA-N -1 1 333.271 3.050 20 30 EGEDMM COc1cc(OC)c(OC)cc1/C=C\C(=O)c1cc(O)ccc1[O-] ZINC000223868270 1296132862 /nfs/dbraw/zinc/13/28/62/1296132862.db2.gz WZNCRHMYJUKWHS-XQRVVYSFSA-N -1 1 330.336 3.020 20 30 EGEDMM C[C@H]1CCC(=NN=C2[N-]S(=O)(=O)c3ccccc32)c2ccccc21 ZINC000752722531 1299782854 /nfs/dbraw/zinc/78/28/54/1299782854.db2.gz ASPKNEKXRAEYRQ-LBPRGKRZSA-N -1 1 339.420 3.027 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(Cl)ccc2Cl)c(=O)o1 ZINC000753715580 1300009913 /nfs/dbraw/zinc/00/99/13/1300009913.db2.gz SIFUNZKHVYDPMQ-FWWGQDLDSA-N -1 1 325.147 3.222 20 30 EGEDMM COc1cccc(NN=Cc2cc(O)cc(Br)c2[O-])c1 ZINC000755609418 1300364262 /nfs/dbraw/zinc/36/42/62/1300364262.db2.gz VYKFCJQMXDWCCW-UHFFFAOYSA-N -1 1 337.173 3.315 20 30 EGEDMM COc1ccc(C=Nn2cnc3ccccc32)c(Br)c1[O-] ZINC000761016269 1301383437 /nfs/dbraw/zinc/38/34/37/1301383437.db2.gz XSBPSJDSRLDWJS-UHFFFAOYSA-N -1 1 346.184 3.395 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(F)c(Cl)c2Cl)c(=O)o1 ZINC000761473923 1301479330 /nfs/dbraw/zinc/47/93/30/1301479330.db2.gz JJAFRKZTUGXRGW-OGOUPESXSA-N -1 1 343.137 3.361 20 30 EGEDMM C#CCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266345 1302870264 /nfs/dbraw/zinc/87/02/64/1302870264.db2.gz QEYROLAPKCPULW-MRXNPFEDSA-N -1 1 330.746 3.384 20 30 EGEDMM CC[C@]1(C)NC(=O)N(N=Cc2cc(Cl)c3ccccc3c2[O-])C1=O ZINC000774589794 1303832506 /nfs/dbraw/zinc/83/25/06/1303832506.db2.gz RMLSXVPCOSRPMW-KRWDZBQOSA-N -1 1 345.786 3.253 20 30 EGEDMM C#CCOc1ccccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000775297834 1303935930 /nfs/dbraw/zinc/93/59/30/1303935930.db2.gz 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O=C1c2ccc(Cl)cc2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823503373 1442271250 /nfs/dbraw/zinc/27/12/50/1442271250.db2.gz FBSVOXYRDNWPDB-UITAMQMPSA-N -1 1 328.784 3.404 20 30 EGEDMM Cc1c(Cl)cnc(N[C@H](C)c2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC000826238425 1442355166 /nfs/dbraw/zinc/35/51/66/1442355166.db2.gz GCNQPZNTYVVNIW-SNVBAGLBSA-N -1 1 339.790 3.268 20 30 EGEDMM CC(C)(C)c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819958533 1443085158 /nfs/dbraw/zinc/08/51/58/1443085158.db2.gz NUJZELUQVPYUOA-UHFFFAOYSA-N -1 1 334.427 3.288 20 30 EGEDMM N#Cc1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822833829 1443395777 /nfs/dbraw/zinc/39/57/77/1443395777.db2.gz WRNGYXGPCGRVIJ-UHFFFAOYSA-N -1 1 329.722 3.110 20 30 EGEDMM Cc1cc(C)c(C#N)c(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000822193340 1446181942 /nfs/dbraw/zinc/18/19/42/1446181942.db2.gz TZQUJUNUPAGJKV-UHFFFAOYSA-N -1 1 340.387 3.182 20 30 EGEDMM N#Cc1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385341 1446294025 /nfs/dbraw/zinc/29/40/25/1446294025.db2.gz 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N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000171955767 144013266 /nfs/dbraw/zinc/01/32/66/144013266.db2.gz BPYGQCLCPFKNPR-UHFFFAOYSA-N -1 1 328.393 3.148 20 30 EGEDMM COCCC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000352356237 165360997 /nfs/dbraw/zinc/36/09/97/165360997.db2.gz LDKYNTQBMIOJQD-SFHVURJKSA-N -1 1 338.407 3.032 20 30 EGEDMM CC(=Cc1cc(F)ccc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339292 270051343 /nfs/dbraw/zinc/05/13/43/270051343.db2.gz RNBOCXBBNRBFBQ-VMPITWQZSA-N -1 1 348.175 3.412 20 30 EGEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)cc(F)c1F ZINC000442235106 270052114 /nfs/dbraw/zinc/05/21/14/270052114.db2.gz QMHHRQNMRGJQHI-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM CCCCCc1nnc([N-]C(=O)c2ncc(C#N)cc2Cl)s1 ZINC000427893412 267003987 /nfs/dbraw/zinc/00/39/87/267003987.db2.gz GGFTXQIANFELBN-UHFFFAOYSA-N -1 1 335.820 3.443 20 30 EGEDMM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)C1(CC)CC ZINC000443292120 267157228 /nfs/dbraw/zinc/15/72/28/267157228.db2.gz 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20 30 EGEDMM N#CCCN(Cc1ccco1)C(=O)c1cc(Br)ccc1[O-] ZINC000120794396 454348982 /nfs/dbraw/zinc/34/89/82/454348982.db2.gz ZXJRCABCZYFXBM-UHFFFAOYSA-N -1 1 349.184 3.304 20 30 EGEDMM N#Cc1ccsc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000052147570 454656595 /nfs/dbraw/zinc/65/65/95/454656595.db2.gz NSLOHGMUCZDVCD-UHFFFAOYSA-N -1 1 340.404 3.060 20 30 EGEDMM CC(C)COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000093242930 454695786 /nfs/dbraw/zinc/69/57/86/454695786.db2.gz MTVJCFCHNHTYNA-OAHLLOKOSA-N -1 1 348.406 3.493 20 30 EGEDMM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000116863718 455074174 /nfs/dbraw/zinc/07/41/74/455074174.db2.gz WJWRJUDLKFXDOZ-CQSZACIVSA-N -1 1 344.436 3.182 20 30 EGEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc21 ZINC000195449147 455963059 /nfs/dbraw/zinc/96/30/59/455963059.db2.gz PAXQHYJEQOZAIP-UHFFFAOYSA-N -1 1 340.408 3.290 20 30 EGEDMM COc1ccc2c(c1)C[C@@H](C)N(C(=O)c1ccc(C#N)c([O-])c1)[C@H]2C ZINC000332535754 456087804 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Cc1ccc([C@H]2OCCC[C@H]2NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000331367841 457173405 /nfs/dbraw/zinc/17/34/05/457173405.db2.gz DYUSRLGPMJPNBK-IEBWSBKVSA-N -1 1 336.391 3.222 20 30 EGEDMM Cc1noc(C)c1COc1ccccc1C([O-])=C(C#N)c1ccncn1 ZINC000354478390 457248737 /nfs/dbraw/zinc/24/87/37/457248737.db2.gz UYLOVUDTGLTUBV-HNNXBMFYSA-N -1 1 348.362 3.151 20 30 EGEDMM N#CCCC1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000399302008 457507975 /nfs/dbraw/zinc/50/79/75/457507975.db2.gz ANJHPAGDTWXUOJ-UHFFFAOYSA-N -1 1 337.217 3.311 20 30 EGEDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)ccc2O1 ZINC000357476166 457553040 /nfs/dbraw/zinc/55/30/40/457553040.db2.gz TVDIHQUFKMTWNB-UHFFFAOYSA-N -1 1 346.383 3.212 20 30 EGEDMM Cc1cc([N-]S(=O)(=O)Cc2ccccc2F)c(C#N)cc1N(C)C ZINC000357478937 457554640 /nfs/dbraw/zinc/55/46/40/457554640.db2.gz NNHJTAQYXGXHPX-UHFFFAOYSA-N -1 1 347.415 3.014 20 30 EGEDMM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc(OC)c1O ZINC000426768643 457898188 /nfs/dbraw/zinc/89/81/88/457898188.db2.gz AWEVGEXPSQPCST-QGZVFWFLSA-N -1 1 345.370 3.184 20 30 EGEDMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1C#Cc1ccccc1 ZINC000362029076 458013338 /nfs/dbraw/zinc/01/33/38/458013338.db2.gz QXCNBSRYJOWIFQ-UHFFFAOYSA-N -1 1 343.448 3.253 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)ccc1C#N ZINC000373007637 458374488 /nfs/dbraw/zinc/37/44/88/458374488.db2.gz KMIMKGCOGLNLSU-UHFFFAOYSA-N -1 1 338.392 3.058 20 30 EGEDMM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccc(C(N)=O)cc2)s1 ZINC000430596337 458468881 /nfs/dbraw/zinc/46/88/81/458468881.db2.gz WFNBONIMPLDNHA-LBPRGKRZSA-N -1 1 327.409 3.030 20 30 EGEDMM CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C#N)c([O-])c1 ZINC000438049221 458525189 /nfs/dbraw/zinc/52/51/89/458525189.db2.gz MAZANGXOUNLECL-SJLPKXTDSA-N -1 1 330.428 3.368 20 30 EGEDMM CCN(C[C@@H](C)C#N)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000494024934 458617250 /nfs/dbraw/zinc/61/72/50/458617250.db2.gz WUKFPWIURCQDRX-LBPRGKRZSA-N -1 1 347.415 3.361 20 30 EGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 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COc1ccc(C#N)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001189084381 1388454711 /nfs/dbraw/zinc/45/47/11/1388454711.db2.gz LQBQKTXVOOYXKR-UHFFFAOYSA-N -1 1 347.168 3.287 20 30 EGEDMM C#C[C@H]1CCC[C@@H]1Oc1cc(C(=O)OC)cc([O-])c1Br ZINC001233908879 1376735216 /nfs/dbraw/zinc/73/52/16/1376735216.db2.gz XESTUXGHXHYTAK-CABZTGNLSA-N -1 1 339.185 3.122 20 30 EGEDMM N#Cc1cc(C(F)(F)F)ccc1-c1ccc2c(c1)CC(=O)[N-]C2=O ZINC001238845274 1377002984 /nfs/dbraw/zinc/00/29/84/1377002984.db2.gz MIRHFQSYPSVHCG-UHFFFAOYSA-N -1 1 330.265 3.057 20 30 EGEDMM COc1ccc2ncc([O-])c(C(=O)Nc3cc(C#N)ccc3OC)c2c1 ZINC001154515591 1380295255 /nfs/dbraw/zinc/29/52/55/1380295255.db2.gz USKDUTLFXAMTTE-UHFFFAOYSA-N -1 1 349.346 3.082 20 30 EGEDMM N#Cc1cc(F)cnc1NC(=N[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155908762 1380504553 /nfs/dbraw/zinc/50/45/53/1380504553.db2.gz BLTIURVUFGKDLM-UHFFFAOYSA-N -1 1 340.236 3.239 20 30 EGEDMM CSc1nc(Cl)c(/C=N/[O-])c(N(CCC#N)C2CCCC2)n1 ZINC001166535751 1383434164 /nfs/dbraw/zinc/43/41/64/1383434164.db2.gz SHWXEEGAXOTDGD-RQZCQDPDSA-N -1 1 339.852 3.323 20 30 EGEDMM O=[P@]([O-])(O)C1(Nc2ccccc2CS)Cc2ccccc2C1 ZINC001167938417 1383773183 /nfs/dbraw/zinc/77/31/83/1383773183.db2.gz JIYJYLURHODVHY-UHFFFAOYSA-N -1 1 335.365 3.201 20 30 EGEDMM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(-n2cccc2)ccc1F ZINC001318239386 1385636103 /nfs/dbraw/zinc/63/61/03/1385636103.db2.gz IITTXJMVENCFKR-UHFFFAOYSA-N -1 1 341.367 3.289 20 30 EGEDMM CC[C@H](C)c1ccc(C(=O)N=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC001319061575 1385949495 /nfs/dbraw/zinc/94/94/95/1385949495.db2.gz FEULXEHJQWUYNM-LBPRGKRZSA-N -1 1 342.420 3.079 20 30 EGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1 ZINC001319338629 1386066816 /nfs/dbraw/zinc/06/68/16/1386066816.db2.gz MVRFWSQYMAKAJQ-UHFFFAOYSA-N -1 1 329.406 3.163 20 30 EGEDMM N=C(c1ccccc1N)N([O-])C(=O)Cn1ccc2ccc(Cl)cc21 ZINC001180973347 1386911768 /nfs/dbraw/zinc/91/17/68/1386911768.db2.gz IEYMWQKJJBNPCB-UHFFFAOYSA-N -1 1 342.786 3.120 20 30 EGEDMM COc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(C#N)cc3[O-])c2c1 ZINC001181198893 1386957871 /nfs/dbraw/zinc/95/78/71/1386957871.db2.gz NFZSDLHFPAOLSF-UHFFFAOYSA-N -1 1 335.363 3.243 20 30 EGEDMM CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@](C)(C#N)C1 ZINC001339326886 1389994461 /nfs/dbraw/zinc/99/44/61/1389994461.db2.gz KZZKTVOYZVFNIQ-QGZVFWFLSA-N -1 1 345.834 3.454 20 30 EGEDMM C=CC1CCN(c2nnc(-c3cc(Cl)ncc3[O-])n2CC)CC1 ZINC001339504492 1390050023 /nfs/dbraw/zinc/05/00/23/1390050023.db2.gz BZBWPJOHUDHCAB-UHFFFAOYSA-N -1 1 333.823 3.121 20 30 EGEDMM N#Cc1ccc(SCc2cccc(-c3nnn[n-]3)c2F)c(F)c1 ZINC000826386090 1428778382 /nfs/dbraw/zinc/77/83/82/1428778382.db2.gz OLVMXJPUYVZYNZ-UHFFFAOYSA-N -1 1 329.335 3.309 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000737081944 1428819678 /nfs/dbraw/zinc/81/96/78/1428819678.db2.gz SAYFHBGNPJBCRM-RQOWECAXSA-N -1 1 346.799 3.486 20 30 EGEDMM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401256 1423857808 /nfs/dbraw/zinc/85/78/08/1423857808.db2.gz TWJIYWRQQYNKBN-CMDGGOBGSA-N -1 1 327.347 3.311 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737082122 1424009092 /nfs/dbraw/zinc/00/90/92/1424009092.db2.gz UWZFIJYQBDHUMQ-KRXBUXKQSA-N -1 1 340.770 3.425 20 30 EGEDMM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820643751 1424108426 /nfs/dbraw/zinc/10/84/26/1424108426.db2.gz YTKHYJRYYHLNLQ-OYSUNCFMSA-N -1 1 342.355 3.156 20 30 EGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822225003 1424462217 /nfs/dbraw/zinc/46/22/17/1424462217.db2.gz JJIKVLXINZCAAW-XQRVVYSFSA-N -1 1 341.352 3.041 20 30 EGEDMM FC(F)(F)c1ccc(CNN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826368296 1424997766 /nfs/dbraw/zinc/99/77/66/1424997766.db2.gz KRAVXSMGGCVYEG-UHFFFAOYSA-N -1 1 346.316 3.009 20 30 EGEDMM CC(=NNc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1F ZINC000823953754 1425018388 /nfs/dbraw/zinc/01/83/88/1425018388.db2.gz OMTHDXGVLBYQPU-UHFFFAOYSA-N -1 1 349.732 3.029 20 30 EGEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)CSc2c(F)cccc21 ZINC000823503927 1425592424 /nfs/dbraw/zinc/59/24/24/1425592424.db2.gz KSLVZQWWDBMWSF-XBXARRHUSA-N -1 1 344.396 3.439 20 30 EGEDMM CC(=NNCc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819773511 1426031321 /nfs/dbraw/zinc/03/13/21/1426031321.db2.gz SGYIMNCNYBJAJO-UHFFFAOYSA-N -1 1 326.791 3.034 20 30 EGEDMM O=C1c2cc(F)cc(F)c2CC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826475281 1426490931 /nfs/dbraw/zinc/49/09/31/1426490931.db2.gz BAHGYIPTZOEOOQ-LREOWRDNSA-N -1 1 330.319 3.029 20 30 EGEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)Cc2c1c(F)ccc2F ZINC000826475723 1426561788 /nfs/dbraw/zinc/56/17/88/1426561788.db2.gz OJDKCWIAMPLQTH-CLTKARDFSA-N -1 1 330.319 3.029 20 30 EGEDMM COc1cc(-c2nnn[n-]2)ccc1CSc1ccc(C#N)cc1F ZINC000826173840 1428064277 /nfs/dbraw/zinc/06/42/77/1428064277.db2.gz XBAVSKHTWLXYBJ-UHFFFAOYSA-N -1 1 341.371 3.178 20 30 EGEDMM N#Cc1ccc(C2=CCN(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384963 1429795959 /nfs/dbraw/zinc/79/59/59/1429795959.db2.gz RKUBBQODSHDVCF-UHFFFAOYSA-N -1 1 328.379 3.032 20 30 EGEDMM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737809917 1429980050 /nfs/dbraw/zinc/98/00/50/1429980050.db2.gz VRDYATZHCVGJSK-KTKRTIGZSA-N -1 1 327.347 3.311 20 30 EGEDMM Cc1cc2ccccc2nc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826273353 1430046244 /nfs/dbraw/zinc/04/62/44/1430046244.db2.gz ZXWXEYQOYABKMY-UHFFFAOYSA-N -1 1 335.396 3.231 20 30 EGEDMM CCC(CC)CN(CCC#N)c1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000825106496 1430128167 /nfs/dbraw/zinc/12/81/67/1430128167.db2.gz DXOHLYQIQDRCRT-UHFFFAOYSA-N -1 1 347.854 3.380 20 30 EGEDMM Oc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000738398122 1430145172 /nfs/dbraw/zinc/14/51/72/1430145172.db2.gz UEJLPCQXABFFHF-UHFFFAOYSA-N -1 1 348.288 3.037 20 30 EGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)Cc2c1c(F)ccc2F ZINC000826475556 1441429836 /nfs/dbraw/zinc/42/98/36/1441429836.db2.gz JURMAEAWGJCFND-YHYXMXQVSA-N -1 1 342.280 3.106 20 30 EGEDMM N#Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1F ZINC000826383765 1441448791 /nfs/dbraw/zinc/44/87/91/1441448791.db2.gz PEGNHPIFORRXOJ-NTUHNPAUSA-N -1 1 345.337 3.090 20 30 EGEDMM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400701 1441962562 /nfs/dbraw/zinc/96/25/62/1441962562.db2.gz FOLDTDMWCHILJW-WAYWQWQTSA-N -1 1 348.391 3.010 20 30 EGEDMM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)c2ccccc21 ZINC000822669937 1441993188 /nfs/dbraw/zinc/99/31/88/1441993188.db2.gz VMHDNKDJHIGAFL-VURMDHGXSA-N -1 1 335.392 3.316 20 30 EGEDMM C=CC[C@@H](C)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735409675 1442144228 /nfs/dbraw/zinc/14/42/28/1442144228.db2.gz IKSBRLDQSMMOFE-CYBMUJFWSA-N -1 1 348.410 3.305 20 30 EGEDMM C=C(C)COc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819723089 1443073321 /nfs/dbraw/zinc/07/33/21/1443073321.db2.gz YBADFTAXANQVNO-UHFFFAOYSA-N -1 1 327.413 3.495 20 30 EGEDMM CCC(CC)CN(CCC#N)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000820893839 1443372570 /nfs/dbraw/zinc/37/25/70/1443372570.db2.gz WWRXGYSGQBLFHD-UHFFFAOYSA-N -1 1 330.411 3.158 20 30 EGEDMM CCC(CC)CN(CCC#N)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000820893839 1443372571 /nfs/dbraw/zinc/37/25/71/1443372571.db2.gz WWRXGYSGQBLFHD-UHFFFAOYSA-N -1 1 330.411 3.158 20 30 EGEDMM Fc1ccc(C#CCN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826373290 1443445103 /nfs/dbraw/zinc/44/51/03/1443445103.db2.gz HBTYTAWSGBMICE-UHFFFAOYSA-N -1 1 347.397 3.022 20 30 EGEDMM CC(C)Oc1ccc(NCc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820173914 1443535696 /nfs/dbraw/zinc/53/56/96/1443535696.db2.gz NJFFXIDJGWDAHJ-UHFFFAOYSA-N -1 1 334.383 3.138 20 30 EGEDMM Cc1ccc(F)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826289088 1446135084 /nfs/dbraw/zinc/13/50/84/1446135084.db2.gz KFHPCYQEKBETOZ-QPJJXVBHSA-N -1 1 326.306 3.349 20 30 EGEDMM O=C(C=Cc1cncc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000822934849 1446386177 /nfs/dbraw/zinc/38/61/77/1446386177.db2.gz DIFVJZRFEWLRBX-CMDGGOBGSA-N -1 1 327.347 3.311 20 30 EGEDMM CCCC[C@@H](CC)CC=Nn1c(C)cc(C)c(-c2nnn[n-]2)c1=O ZINC000825261448 1446427716 /nfs/dbraw/zinc/42/77/16/1446427716.db2.gz ZRJXRVDHCKWGEF-CQSZACIVSA-N -1 1 330.436 3.086 20 30 EGEDMM COc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000821849474 1446913592 /nfs/dbraw/zinc/91/35/92/1446913592.db2.gz JQRUBBCSKICFKZ-IZZDOVSWSA-N -1 1 338.392 3.149 20 30 EGEDMM C=CCC(CC=C)C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819735047 1446926130 /nfs/dbraw/zinc/92/61/30/1446926130.db2.gz ZLMGXWHKVMHRTN-UHFFFAOYSA-N -1 1 337.427 3.126 20 30 EGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)ccc1F ZINC000822924235 1447269217 /nfs/dbraw/zinc/26/92/17/1447269217.db2.gz ZIYNIJQYPZYNHF-UTCJRWHESA-N -1 1 330.269 3.180 20 30 EGEDMM N#CC1(CSc2nc(-c3ccccc3)ccc2-c2nn[n-]n2)CC1 ZINC000826380416 1447314130 /nfs/dbraw/zinc/31/41/30/1447314130.db2.gz ZPYOWTNFAMWLIQ-UHFFFAOYSA-N -1 1 334.408 3.325 20 30 EGEDMM CC(=Cc1ccc(C)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823943716 1447315917 /nfs/dbraw/zinc/31/59/17/1447315917.db2.gz RIQMFFJONBANSB-UKTHLTGXSA-N -1 1 344.378 3.089 20 30 EGEDMM C=CCCCC(=O)Nc1cccc(OC(F)(F)F)c1-c1nn[n-]n1 ZINC001573334175 947449637 /nfs/dbraw/zinc/44/96/37/947449637.db2.gz AGHVMELYDUDQAR-UHFFFAOYSA-N -1 1 341.293 3.060 20 30 EGEDMM C=CCCC[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573334452 947453732 /nfs/dbraw/zinc/45/37/32/947453732.db2.gz DACALWZDZKAKGS-OAHLLOKOSA-N -1 1 348.410 3.340 20 30 EGEDMM C=CCCC[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573334452 947453753 /nfs/dbraw/zinc/45/37/53/947453753.db2.gz DACALWZDZKAKGS-OAHLLOKOSA-N -1 1 348.410 3.340 20 30 EGEDMM CC(C)(C)CN(CC#Cc1ccc(OC(F)(F)F)cc1)CC(=O)[O-] ZINC001588651683 959773217 /nfs/dbraw/zinc/77/32/17/959773217.db2.gz OYKGLVTULLBZEA-UHFFFAOYSA-N -1 1 343.345 3.369 20 30 EGEDMM COC(=O)c1ccc(N=NC(C)c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000756897819 978699959 /nfs/dbraw/zinc/69/99/59/978699959.db2.gz QCDSSGYODWPJAG-UHFFFAOYSA-N -1 1 342.351 3.016 20 30 EGEDMM COc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)cc1OC ZINC000756899125 978700473 /nfs/dbraw/zinc/70/04/73/978700473.db2.gz QYCWVUIBMFKZHT-UHFFFAOYSA-N -1 1 344.367 3.247 20 30 EGEDMM CC(=N[N-]c1[nH]c2cc(F)c(F)cc2[nH+]1)c1cc(C(=O)[O-])cs1 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/nfs/dbraw/zinc/28/07/94/1429280794.db2.gz NFMRYMKRMFDALC-GOSISDBHSA-N -1 1 347.422 3.233 20 30 EGEDMM C=CCCCCCN(C)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000735408155 1429505163 /nfs/dbraw/zinc/50/51/63/1429505163.db2.gz GSUBXGLRFXZEOM-UHFFFAOYSA-N -1 1 340.353 3.463 20 30 EGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc(F)cc(F)c1 ZINC000822922491 1425491272 /nfs/dbraw/zinc/49/12/72/1425491272.db2.gz GNJDDWYMEADLKZ-ARJAWSKDSA-N -1 1 330.269 3.180 20 30 EGEDMM C#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1NCCC ZINC000823840871 1425662410 /nfs/dbraw/zinc/66/24/10/1425662410.db2.gz GBGMRBKAXIIYRI-UHFFFAOYSA-N -1 1 340.431 3.211 20 30 EGEDMM c1ccc(CCCNN=C2CCCc3cc(-c4nnn[n-]4)ccc32)cc1 ZINC000823780716 1426071977 /nfs/dbraw/zinc/07/19/77/1426071977.db2.gz UXRVKQWTVBCSJU-UHFFFAOYSA-N -1 1 346.438 3.130 20 30 EGEDMM C=CCOc1ccc(C(=O)N(CC)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823931622 1426345669 /nfs/dbraw/zinc/34/56/69/1426345669.db2.gz BPEGHAUMDQRCOR-UHFFFAOYSA-N -1 1 349.394 3.098 20 30 EGEDMM CCOc1ccc(C#N)cc1N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736636081 1426755850 /nfs/dbraw/zinc/75/58/50/1426755850.db2.gz HILMLXCHFXNSKN-GFCCVEGCSA-N -1 1 334.383 3.310 20 30 EGEDMM O=C1c2cc(F)cc(F)c2CC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826476055 1430063295 /nfs/dbraw/zinc/06/32/95/1430063295.db2.gz ZTWDQUKPJOOACR-YCRREMRBSA-N -1 1 342.280 3.106 20 30 EGEDMM C#CC[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823838641 1441467320 /nfs/dbraw/zinc/46/73/20/1441467320.db2.gz SIBZFAGNDNDXEA-SCLBCKFNSA-N -1 1 335.386 3.421 20 30 EGEDMM O=C(C=Cc1ccc(O)c(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826401285 1441613484 /nfs/dbraw/zinc/61/34/84/1441613484.db2.gz URNIXTARRIRADN-RQOWECAXSA-N -1 1 332.772 3.183 20 30 EGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(OC(F)F)cc1 ZINC000826401894 1441698715 /nfs/dbraw/zinc/69/87/15/1441698715.db2.gz JAXHRWICRFXESF-JXMROGBWSA-N -1 1 342.305 3.364 20 30 EGEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)c(F)c1 ZINC000826401401 1442243128 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C=C[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883210 1446915553 /nfs/dbraw/zinc/91/55/53/1446915553.db2.gz KVAOFJUSDYVUBM-OAHLLOKOSA-N -1 1 334.379 3.270 20 30 EGEDMM CC(C)c1csc(C(C#N)C(=O)C=Cc2cc(C(=O)[O-])co2)n1 ZINC001592008351 976676229 /nfs/dbraw/zinc/67/62/29/976676229.db2.gz ISKSMNWGCJDBSI-AAOUONPWSA-N -1 1 330.365 3.447 20 30 EGEDMM O=C([O-])c1ccc(NN=Cc2csc(-c3ccsc3)n2)nc1 ZINC000763377728 978723118 /nfs/dbraw/zinc/72/31/18/978723118.db2.gz WCXQAEGVGHXQMQ-UHFFFAOYSA-N -1 1 330.394 3.411 20 30 EGEDMM CCCN(Cc1ccc(C#N)cc1)Cn1ncc2cc(C(=O)[O-])ccc21 ZINC001595885702 982907378 /nfs/dbraw/zinc/90/73/78/982907378.db2.gz BSPHGJCDLOXNAT-UHFFFAOYSA-N -1 1 348.406 3.476 20 30 EGEDMM CCCCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000003581937 210058971 /nfs/dbraw/zinc/05/89/71/210058971.db2.gz WQEGPJQOWCVLJN-RUJXFNLJSA-N -1 1 328.364 3.094 20 30 EGEDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C#N)c1C ZINC000179025949 266443733 /nfs/dbraw/zinc/44/37/33/266443733.db2.gz IURNATNPTYJXEC-UHFFFAOYSA-N -1 1 345.380 3.138 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)ccc1C#N ZINC000295149653 267359981 /nfs/dbraw/zinc/35/99/81/267359981.db2.gz BIXFBMZIRXFGTG-INIZCTEOSA-N -1 1 342.420 3.171 20 30 EGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000295239443 267399582 /nfs/dbraw/zinc/39/95/82/267399582.db2.gz USNKNHIMQRILBK-INIZCTEOSA-N -1 1 342.420 3.171 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)ccc1C#N ZINC000435755331 268017772 /nfs/dbraw/zinc/01/77/72/268017772.db2.gz IRAGERPGLNXBFJ-UHFFFAOYSA-N -1 1 339.376 3.323 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3scnc3c2)ccc1C#N ZINC000435734288 268019254 /nfs/dbraw/zinc/01/92/54/268019254.db2.gz YTYSUXDVHQOTLA-UHFFFAOYSA-N -1 1 329.406 3.277 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@@H]2CCCOc3c(F)cccc32)cc1[O-] ZINC000189186314 268043730 /nfs/dbraw/zinc/04/37/30/268043730.db2.gz IKSKGQFYIWPDQT-OAHLLOKOSA-N -1 1 326.327 3.047 20 30 EGEDMM N#Cc1ccc(C(=O)NCc2ccc(-c3ccncc3)cc2)cc1[O-] ZINC000442653450 268200744 /nfs/dbraw/zinc/20/07/44/268200744.db2.gz WBYZYWUUMJBASA-UHFFFAOYSA-N -1 1 329.359 3.256 20 30 EGEDMM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000341897207 300652642 /nfs/dbraw/zinc/65/26/42/300652642.db2.gz LWUWCJKFDNHEDS-HWPZZCPQSA-N -1 1 348.811 3.012 20 30 EGEDMM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000555104123 315366532 /nfs/dbraw/zinc/36/65/32/315366532.db2.gz CNIVWXVEFMPDPE-BETUJISGSA-N -1 1 326.318 3.457 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(F)(F)F ZINC000177618993 323342992 /nfs/dbraw/zinc/34/29/92/323342992.db2.gz GOBAXKAGJVZETO-UHFFFAOYSA-N -1 1 326.299 3.378 20 30 EGEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2o1 ZINC000581526625 325368037 /nfs/dbraw/zinc/36/80/37/325368037.db2.gz VEXFDAZKPLGYQK-UHFFFAOYSA-N -1 1 327.365 3.117 20 30 EGEDMM C[C@H](C[C@H]1CCCO1)NC(=O)c1cc(Br)ccc1[O-] ZINC000331226619 457149215 /nfs/dbraw/zinc/14/92/15/457149215.db2.gz CUECQVZUQGMSQQ-MWLCHTKSSA-N -1 1 328.206 3.417 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)NC3CC3)c2)n1 ZINC000054801508 453948274 /nfs/dbraw/zinc/94/82/74/453948274.db2.gz FXUYKGQRPXWXPK-AWEZNQCLSA-N -1 1 340.408 3.226 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)C3CC3)c2)n1 ZINC000041520708 453969833 /nfs/dbraw/zinc/96/98/33/453969833.db2.gz HBKGLHBGUIJXCA-CQSZACIVSA-N -1 1 325.393 3.290 20 30 EGEDMM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000055547129 453993646 /nfs/dbraw/zinc/99/36/46/453993646.db2.gz CWVASRSENLCYCQ-UHFFFAOYSA-N -1 1 344.436 3.020 20 30 EGEDMM COc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1Cl ZINC000073353774 454427981 /nfs/dbraw/zinc/42/79/81/454427981.db2.gz YUUKISFFMRIMFC-UHFFFAOYSA-N -1 1 336.800 3.330 20 30 EGEDMM COc1cccc2cc(C(=O)Nc3n[n-]c(C(F)(F)F)n3)oc21 ZINC000073914613 454500765 /nfs/dbraw/zinc/50/07/65/454500765.db2.gz PQZGAZPDHFJUQO-UHFFFAOYSA-N -1 1 326.234 3.215 20 30 EGEDMM N#CC(=C([O-])c1ccn(-c2ccccc2F)n1)c1nc2ccccc2[nH]1 ZINC000073971934 454509595 /nfs/dbraw/zinc/50/95/95/454509595.db2.gz UIABKQABCSXBBF-LBPRGKRZSA-N -1 1 345.337 3.378 20 30 EGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1 ZINC000114673291 454968018 /nfs/dbraw/zinc/96/80/18/454968018.db2.gz UVRXEFKBXOPKMV-UHFFFAOYSA-N -1 1 331.784 3.193 20 30 EGEDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000180176015 455145151 /nfs/dbraw/zinc/14/51/51/455145151.db2.gz JGRFWDKHMUTAAO-UHFFFAOYSA-N -1 1 336.800 3.159 20 30 EGEDMM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000172369638 455149050 /nfs/dbraw/zinc/14/90/50/455149050.db2.gz NLEGSLZYVGWBAZ-QWHCGFSZSA-N -1 1 340.470 3.002 20 30 EGEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1[O-] ZINC000190958508 455414699 /nfs/dbraw/zinc/41/46/99/455414699.db2.gz YVPBFMNCTDWXBR-GOSISDBHSA-N -1 1 336.391 3.085 20 30 EGEDMM Cc1cccc(CNC(=O)c2ccc(C#N)c([O-])c2)c1Br ZINC000191738092 455515398 /nfs/dbraw/zinc/51/53/98/455515398.db2.gz SYKKPWITIXZGTP-UHFFFAOYSA-N -1 1 345.196 3.265 20 30 EGEDMM CC(C)n1ncc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc21 ZINC000195449137 455962749 /nfs/dbraw/zinc/96/27/49/455962749.db2.gz YMCIXXOYPZUOGQ-UHFFFAOYSA-N -1 1 340.408 3.290 20 30 EGEDMM C=CCCOCC[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000280628749 456017818 /nfs/dbraw/zinc/01/78/18/456017818.db2.gz STCQFCYVJMIJAR-UHFFFAOYSA-N -1 1 342.219 3.004 20 30 EGEDMM Cc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000342606043 457396364 /nfs/dbraw/zinc/39/63/64/457396364.db2.gz OVNHLRGBWCYWGI-LLVKDONJSA-N -1 1 336.363 3.184 20 30 EGEDMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2O1 ZINC000427140777 457948232 /nfs/dbraw/zinc/94/82/32/457948232.db2.gz UZKPOJWVAAOCNQ-UHFFFAOYSA-N -1 1 348.355 3.005 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1F ZINC000427196599 457958048 /nfs/dbraw/zinc/95/80/48/457958048.db2.gz LUNUXPIGLQQEPU-UHFFFAOYSA-N -1 1 326.299 3.436 20 30 EGEDMM N#CC(=C([O-])c1cccc2c1OCCO2)c1cc(C(F)(F)F)ccn1 ZINC000362129684 458032450 /nfs/dbraw/zinc/03/24/50/458032450.db2.gz NJOUUSONRCUEGT-GFCCVEGCSA-N -1 1 348.280 3.362 20 30 EGEDMM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCC1 ZINC000416673976 458351604 /nfs/dbraw/zinc/35/16/04/458351604.db2.gz VJNXTQAFIIDTJV-UHFFFAOYSA-N -1 1 337.203 3.105 20 30 EGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cnc4ccsc4c3)nc1-2 ZINC000531423943 458916981 /nfs/dbraw/zinc/91/69/81/458916981.db2.gz ZQPBLOXXTLWBTI-LLVKDONJSA-N -1 1 333.376 3.366 20 30 EGEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)c([O-])c1 ZINC000496199197 459105674 /nfs/dbraw/zinc/10/56/74/459105674.db2.gz IOIHXOGOEFRESJ-NWDGAFQWSA-N -1 1 345.399 3.161 20 30 EGEDMM N#CC1(c2ccccn2)CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000590366257 459120728 /nfs/dbraw/zinc/12/07/28/459120728.db2.gz XBSIHTGVBFSBDN-UHFFFAOYSA-N -1 1 327.815 3.498 20 30 EGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1F)C1CCCCC1 ZINC000594703924 459134021 /nfs/dbraw/zinc/13/40/21/459134021.db2.gz FAORZRJYALDKOJ-INIZCTEOSA-N -1 1 340.420 3.034 20 30 EGEDMM C[C@H]1CCN(Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000583263037 459511160 /nfs/dbraw/zinc/51/11/60/459511160.db2.gz KQHSQALJLPAKBG-GWCFXTLKSA-N -1 1 326.318 3.120 20 30 EGEDMM Cc1cc(C)n(-c2cccc(NC(=O)c3cc([O-])cc(C#N)c3)c2)n1 ZINC000614295403 460083042 /nfs/dbraw/zinc/08/30/42/460083042.db2.gz PGAGQXSZZMTINT-UHFFFAOYSA-N -1 1 332.363 3.319 20 30 EGEDMM Cc1cc(NC(=O)c2cc([O-])cc(C#N)c2)n(Cc2ccccc2)n1 ZINC000614365502 460114936 /nfs/dbraw/zinc/11/49/36/460114936.db2.gz OPRUHCHPYFMCQM-UHFFFAOYSA-N -1 1 332.363 3.069 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC000614370104 460118512 /nfs/dbraw/zinc/11/85/12/460118512.db2.gz BLIPJMKZIKTYBB-UHFFFAOYSA-N -1 1 326.327 3.444 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000589656562 460124507 /nfs/dbraw/zinc/12/45/07/460124507.db2.gz VUECKIOIFQDXKP-IBGZPJMESA-N -1 1 348.402 3.088 20 30 EGEDMM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1C ZINC000619744475 460428068 /nfs/dbraw/zinc/42/80/68/460428068.db2.gz OOWQWEBMQVDJKS-UHFFFAOYSA-N -1 1 330.409 3.261 20 30 EGEDMM Cc1cnc(C2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)s1 ZINC000617831905 460989208 /nfs/dbraw/zinc/98/92/08/460989208.db2.gz RVMSLYGTORYRDF-UHFFFAOYSA-N -1 1 327.409 3.049 20 30 EGEDMM C=C(C)CN(CC)C(=O)COC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000730359442 574977203 /nfs/dbraw/zinc/97/72/03/574977203.db2.gz LBQCKWOAPLNNAZ-UHFFFAOYSA-N -1 1 346.210 3.280 20 30 EGEDMM CCCCCCCCOC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000731448034 575073556 /nfs/dbraw/zinc/07/35/56/575073556.db2.gz UPEDQEMEXFQFFW-UHFFFAOYSA-N -1 1 333.432 3.498 20 30 EGEDMM CCC(Cc1ccc(C)cc1)=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000731926093 575220750 /nfs/dbraw/zinc/22/07/50/575220750.db2.gz LBVYZFSRGQYLAM-UHFFFAOYSA-N -1 1 341.436 3.042 20 30 EGEDMM Cc1ccsc1C(C)N=Nc1oc(CC(C)C)nc1-c1nn[n-]n1 ZINC000735459211 575664628 /nfs/dbraw/zinc/66/46/28/575664628.db2.gz YJDPVEHXGUKVFE-UHFFFAOYSA-N -1 1 345.432 3.259 20 30 EGEDMM Cc1cccc2nc([C@H](C#N)C(=O)CCc3ccc(C(=O)[O-])cc3)[nH]c21 ZINC000738747282 576358777 /nfs/dbraw/zinc/35/87/77/576358777.db2.gz 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O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2ccccc21 ZINC000823504245 1425235454 /nfs/dbraw/zinc/23/54/54/1425235454.db2.gz NLQAPYVFFDJIJO-WEVVVXLNSA-N -1 1 326.406 3.300 20 30 EGEDMM CCC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc(N(C)C)cc1 ZINC000820831983 1425710985 /nfs/dbraw/zinc/71/09/85/1425710985.db2.gz GAEJMHUHEPWRKD-UHFFFAOYSA-N -1 1 335.415 3.159 20 30 EGEDMM CCC(N=Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCOCC1 ZINC000825029478 1426473821 /nfs/dbraw/zinc/47/38/21/1426473821.db2.gz UBDRSASCNGHMGO-UHFFFAOYSA-N -1 1 334.811 3.125 20 30 EGEDMM C[C@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1cccc(C#N)c1 ZINC000820449780 1426929281 /nfs/dbraw/zinc/92/92/81/1426929281.db2.gz CHHKSFCXKKSALV-LBPRGKRZSA-N -1 1 341.378 3.460 20 30 EGEDMM C=CCCSCc1ccc(-c2nnn[n-]2)cc1Br ZINC000823898837 1427253748 /nfs/dbraw/zinc/25/37/48/1427253748.db2.gz DJQJPAMPJLWKIO-UHFFFAOYSA-N -1 1 325.235 3.439 20 30 EGEDMM C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000824533160 1427493692 /nfs/dbraw/zinc/49/36/92/1427493692.db2.gz 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EGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1Cl ZINC000076839212 454042052 /nfs/dbraw/zinc/04/20/52/454042052.db2.gz XLTQLLFLZWPGQA-UHFFFAOYSA-N -1 1 340.763 3.160 20 30 EGEDMM O=C1CCCCN1Cc1cccc(/N=C/c2ccc(O)c([O-])c2O)c1 ZINC000122222912 454514212 /nfs/dbraw/zinc/51/42/12/454514212.db2.gz UHJQSOBFRMTFPG-RGVLZGJSSA-N -1 1 340.379 3.067 20 30 EGEDMM C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc(OC(F)F)c1 ZINC000190573631 455346406 /nfs/dbraw/zinc/34/64/06/455346406.db2.gz QURZFEYTTNEFOQ-SNVBAGLBSA-N -1 1 332.306 3.356 20 30 EGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191793942 455520435 /nfs/dbraw/zinc/52/04/35/455520435.db2.gz MPRUWPOBONMCAP-UHFFFAOYSA-N -1 1 345.380 3.193 20 30 EGEDMM C=C(C)CCc1noc(Cc2c(C)nc(-c3cccnc3)[n-]c2=O)n1 ZINC000285138122 455793940 /nfs/dbraw/zinc/79/39/40/455793940.db2.gz NWJRRGIJBHSGFD-UHFFFAOYSA-N -1 1 337.383 3.035 20 30 EGEDMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C#N)c([O-])c2)s1 ZINC000188548958 456082795 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N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000426767779 457897609 /nfs/dbraw/zinc/89/76/09/457897609.db2.gz QQIBSEDAIWKFHK-GOSISDBHSA-N -1 1 342.370 3.424 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1F ZINC000427113846 457945199 /nfs/dbraw/zinc/94/51/99/457945199.db2.gz JRJKJYYZRKIRAV-UHFFFAOYSA-N -1 1 341.367 3.289 20 30 EGEDMM C=C[C@@H](CC(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000436503180 458315627 /nfs/dbraw/zinc/31/56/27/458315627.db2.gz GWADYBFFXCKDAZ-ZDUSSCGKSA-N -1 1 325.364 3.477 20 30 EGEDMM N#CC1(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)CCCCC1 ZINC000436915947 458405495 /nfs/dbraw/zinc/40/54/95/458405495.db2.gz QXXMYFYPNSDUNE-UHFFFAOYSA-N -1 1 345.790 3.243 20 30 EGEDMM N#CC1(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)CCCCC1 ZINC000436915947 458405498 /nfs/dbraw/zinc/40/54/98/458405498.db2.gz QXXMYFYPNSDUNE-UHFFFAOYSA-N -1 1 345.790 3.243 20 30 EGEDMM CC[C@@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)OC ZINC000421149760 458408143 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Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000590397946 459123988 /nfs/dbraw/zinc/12/39/88/459123988.db2.gz JRRXTPOISHGWSU-UHFFFAOYSA-N -1 1 348.362 3.127 20 30 EGEDMM Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000591078229 459307722 /nfs/dbraw/zinc/30/77/22/459307722.db2.gz QFMHGDINBHLCQE-KRWDZBQOSA-N -1 1 338.411 3.361 20 30 EGEDMM Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])n(CCC#N)n1 ZINC000537409481 459364652 /nfs/dbraw/zinc/36/46/52/459364652.db2.gz OJNQRENPCCKPBT-UHFFFAOYSA-N -1 1 338.289 3.082 20 30 EGEDMM CC(C)c1cc(C(=O)N=c2ccn(CCC#N)[nH]2)c([O-])c(C(C)C)c1 ZINC000537656116 459367471 /nfs/dbraw/zinc/36/74/71/459367471.db2.gz AZHOYLYURYFLKW-UHFFFAOYSA-N -1 1 340.427 3.423 20 30 EGEDMM CO[C@@H](CS(=O)(=O)[N-]c1ccccc1SCCC#N)C(C)C ZINC000592350851 459577330 /nfs/dbraw/zinc/57/73/30/459577330.db2.gz IYZNVJXQBOLEAO-AWEZNQCLSA-N -1 1 342.486 3.105 20 30 EGEDMM C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000592882389 459711804 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C[C@@H]1c2ccccc2CCN1C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154551975 1380304541 /nfs/dbraw/zinc/30/45/41/1380304541.db2.gz AVZOGDFNWAZGBG-CYBMUJFWSA-N -1 1 343.386 3.159 20 30 EGEDMM CCOc1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)nc1 ZINC001155909514 1380504546 /nfs/dbraw/zinc/50/45/46/1380504546.db2.gz PINAVFRXBBUEEQ-UHFFFAOYSA-N -1 1 342.277 3.022 20 30 EGEDMM Cc1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1C#N ZINC001155909043 1380504598 /nfs/dbraw/zinc/50/45/98/1380504598.db2.gz GKHGPIAYNMYPSV-UHFFFAOYSA-N -1 1 336.273 3.408 20 30 EGEDMM CCCc1cc(C#N)c(NCC(=O)c2ccc([O-])c(O)c2)nc1Cl ZINC001159279500 1381749949 /nfs/dbraw/zinc/74/99/49/1381749949.db2.gz QDQGSRYDUCLYCE-UHFFFAOYSA-N -1 1 345.786 3.265 20 30 EGEDMM N#Cc1cccc(C2(NC(=O)c3ncc4ccccc4c3[O-])CC2)c1 ZINC001297712723 1383223100 /nfs/dbraw/zinc/22/31/00/1383223100.db2.gz AJJOJXTZGQDWPT-UHFFFAOYSA-N -1 1 329.359 3.231 20 30 EGEDMM CCCOc1cccc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)c1 ZINC001343272783 1390704050 /nfs/dbraw/zinc/70/40/50/1390704050.db2.gz 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O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400599 1443245165 /nfs/dbraw/zinc/24/51/65/1443245165.db2.gz CCZKOMXMBLEOHE-FNORWQNLSA-N -1 1 345.337 3.450 20 30 EGEDMM C=CCOCCCC(=O)Nc1cc(C(C)(C)C)sc1-c1nnn[n-]1 ZINC000823925538 1443616039 /nfs/dbraw/zinc/61/60/39/1443616039.db2.gz LNLJKZXEULEQKE-UHFFFAOYSA-N -1 1 349.460 3.147 20 30 EGEDMM CC(=NNc1ccccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963217 1443666804 /nfs/dbraw/zinc/66/68/04/1443666804.db2.gz YCZNJCAKZZNSBC-UHFFFAOYSA-N -1 1 330.754 3.495 20 30 EGEDMM Fc1cccc(OCC#Cc2ccccc2Cl)c1-c1nnn[n-]1 ZINC000826377521 1443938099 /nfs/dbraw/zinc/93/80/99/1443938099.db2.gz VNYRRQHKNYNNKH-UHFFFAOYSA-N -1 1 328.734 3.090 20 30 EGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc(C)c1O ZINC000826266258 1446313134 /nfs/dbraw/zinc/31/31/34/1446313134.db2.gz IVHMWQWFSHZSIF-UTCJRWHESA-N -1 1 338.342 3.224 20 30 EGEDMM N#CCOc1ccc(CNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000737697765 1446411101 /nfs/dbraw/zinc/41/11/01/1446411101.db2.gz 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C[C@H]1CCN(Cc2cc(C#N)ccc2Br)[C@H](C(=O)[O-])C1 ZINC001594422521 999574857 /nfs/dbraw/zinc/57/48/57/999574857.db2.gz GCBQPFVGRVTFQZ-HZMBPMFUSA-N -1 1 337.217 3.006 20 30 EGEDMM O=C(Cc1ccc(Br)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000037111728 213132662 /nfs/dbraw/zinc/13/26/62/213132662.db2.gz NMNLGPLYWGULRL-UHFFFAOYSA-N -1 1 349.110 3.417 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)ccc1C#N ZINC000318990836 154161120 /nfs/dbraw/zinc/16/11/20/154161120.db2.gz RVOWAIMLSOVVKU-UHFFFAOYSA-N -1 1 329.406 3.277 20 30 EGEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000442975272 270052057 /nfs/dbraw/zinc/05/20/57/270052057.db2.gz JSLZWBDDBYVHKY-SJORKVTESA-N -1 1 330.428 3.320 20 30 EGEDMM N#Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1F ZINC000524452050 270059625 /nfs/dbraw/zinc/05/96/25/270059625.db2.gz URMVGKNAGWWCCP-UHFFFAOYSA-N -1 1 330.384 3.377 20 30 EGEDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2NC)cc1C ZINC000552028851 315190015 /nfs/dbraw/zinc/19/00/15/315190015.db2.gz 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/nfs/dbraw/zinc/63/36/86/1441633686.db2.gz DJFPWBSYFCCVNM-UHFFFAOYSA-N -1 1 330.754 3.495 20 30 EGEDMM C=C(C)[C@@H](CC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1)OCC ZINC000823874410 1442484174 /nfs/dbraw/zinc/48/41/74/1442484174.db2.gz WKBIYGRSDKVJAF-GFCCVEGCSA-N -1 1 349.460 3.109 20 30 EGEDMM Clc1csc(CN=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826354278 1443460166 /nfs/dbraw/zinc/46/01/66/1443460166.db2.gz WNRIHXCLOSBCLP-UHFFFAOYSA-N -1 1 340.199 3.076 20 30 EGEDMM COCc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826164804 1443649040 /nfs/dbraw/zinc/64/90/40/1443649040.db2.gz RACJHTPGJUYGLM-UHFFFAOYSA-N -1 1 342.790 3.113 20 30 EGEDMM CCCC[C@H](CC)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736439622 1444009463 /nfs/dbraw/zinc/00/94/63/1444009463.db2.gz XQOVYPZGTJFGPC-LBPRGKRZSA-N -1 1 326.404 3.283 20 30 EGEDMM N#C[C@H]1CCC[C@H]1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826380676 1446419313 /nfs/dbraw/zinc/41/93/13/1446419313.db2.gz JFNATPGRJKWZQI-VQIMIIECSA-N -1 1 344.422 3.316 20 30 EGEDMM Cc1c(C(=O)C=Cc2ccc(C)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737329005 1446516404 /nfs/dbraw/zinc/51/64/04/1446516404.db2.gz ICTIBBUXSXAINV-MDZDMXLPSA-N -1 1 333.395 3.127 20 30 EGEDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(C#N)cc1Br ZINC001573710989 959850404 /nfs/dbraw/zinc/85/04/04/959850404.db2.gz JJXBNWBNMCXDBT-GWCFXTLKSA-N -1 1 337.217 3.006 20 30 EGEDMM O=C([O-])c1ccccc1C=Nn1c(-c2ccccc2F)n[nH]c1=S ZINC000254303862 961320742 /nfs/dbraw/zinc/32/07/42/961320742.db2.gz KVUQTAZUWNTWGC-UHFFFAOYSA-N -1 1 342.355 3.327 20 30 EGEDMM C#C[C@](C)(CC)NCc1cc(OC)c(C(=O)[O-])cc1Br ZINC001573301816 962638151 /nfs/dbraw/zinc/63/81/51/962638151.db2.gz FRPSPAXYUDVIAY-OAHLLOKOSA-N -1 1 340.217 3.047 20 30 EGEDMM C[C@@H]1CC(=NNc2cc(C(=O)[O-])ccc2Br)c2nccn21 ZINC001594196240 998760416 /nfs/dbraw/zinc/76/04/16/998760416.db2.gz HTMUKSRJXOPXLZ-MRVPVSSYSA-N -1 1 349.188 3.125 20 30 EGEDMM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)nc1 ZINC000095941009 218453776 /nfs/dbraw/zinc/45/37/76/218453776.db2.gz 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Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000063878516 454457349 /nfs/dbraw/zinc/45/73/49/454457349.db2.gz GGJRCRDBTZBCIK-UHFFFAOYSA-N -1 1 331.784 3.193 20 30 EGEDMM COc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c([O-])c1 ZINC000123321103 454626047 /nfs/dbraw/zinc/62/60/47/454626047.db2.gz RTMGHPOSOXTDHB-UHFFFAOYSA-N -1 1 344.370 3.448 20 30 EGEDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1F ZINC000135378168 454670330 /nfs/dbraw/zinc/67/03/30/454670330.db2.gz PBAOJLMWNNHWQY-UHFFFAOYSA-N -1 1 326.299 3.085 20 30 EGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126830340 454920991 /nfs/dbraw/zinc/92/09/91/454920991.db2.gz XLJTYJGHKJNRDF-UHFFFAOYSA-N -1 1 330.413 3.048 20 30 EGEDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190988885 455420863 /nfs/dbraw/zinc/42/08/63/455420863.db2.gz QTQXXOAQOGDADR-UHFFFAOYSA-N -1 1 339.351 3.223 20 30 EGEDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1 ZINC000193360481 455754760 /nfs/dbraw/zinc/75/47/60/455754760.db2.gz 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Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1-c1ccccc1 ZINC000519546766 458961638 /nfs/dbraw/zinc/96/16/38/458961638.db2.gz CFOIEILVOWYNEM-UHFFFAOYSA-N -1 1 338.392 3.058 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(F)(F)F)cc1[O-] ZINC000558588824 459177380 /nfs/dbraw/zinc/17/73/80/459177380.db2.gz LNCIXXWYNLCOCE-OAHLLOKOSA-N -1 1 348.324 3.415 20 30 EGEDMM CC(=O)Nc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1C ZINC000580687661 459263248 /nfs/dbraw/zinc/26/32/48/459263248.db2.gz QKDVWFOWMDIRAD-AWEZNQCLSA-N -1 1 347.378 3.023 20 30 EGEDMM C#C[C@@H](CC)NC(=O)c1c[n-]c2ccc(Oc3ccccc3)cc2c1=O ZINC000491727108 459660866 /nfs/dbraw/zinc/66/08/66/459660866.db2.gz KVXWJBXOZMXVJQ-AWEZNQCLSA-N -1 1 346.386 3.462 20 30 EGEDMM COc1nc2ccc(NC(=O)c3cc([O-])cc(C#N)c3)cc2s1 ZINC000586815796 459881537 /nfs/dbraw/zinc/88/15/37/459881537.db2.gz ZFYWGKQRCROYCE-UHFFFAOYSA-N -1 1 325.349 3.134 20 30 EGEDMM COc1ccc2nc(C3CC3)cc(C([O-])=C(C#N)c3ccncn3)c2c1 ZINC000546153547 459901196 /nfs/dbraw/zinc/90/11/96/459901196.db2.gz NSPKGMFPXSSULR-MRXNPFEDSA-N -1 1 344.374 3.401 20 30 EGEDMM C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000597606528 460005104 /nfs/dbraw/zinc/00/51/04/460005104.db2.gz WPYHMBJEZLCUKM-ZSGPHXLJSA-N -1 1 342.439 3.056 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCc3ccccc3)nc2)c1 ZINC000589168884 460042965 /nfs/dbraw/zinc/04/29/65/460042965.db2.gz IVDNVWDFCHRPOU-UHFFFAOYSA-N -1 1 345.358 3.490 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(F)cc2Br)c1 ZINC000589170396 460043569 /nfs/dbraw/zinc/04/35/69/460043569.db2.gz ZZUCWASYPOIOPE-UHFFFAOYSA-N -1 1 349.159 3.095 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)NCc2nc3cc(Cl)ccc3s2)c1 ZINC000589171835 460045387 /nfs/dbraw/zinc/04/53/87/460045387.db2.gz NUPUWHDFYIGDKQ-UHFFFAOYSA-N -1 1 343.795 3.457 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000589197881 460050818 /nfs/dbraw/zinc/05/08/18/460050818.db2.gz MDUWXFAMXZTEHE-UHFFFAOYSA-N -1 1 328.378 3.096 20 30 EGEDMM COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589206602 460055504 /nfs/dbraw/zinc/05/55/04/460055504.db2.gz VUOLUVACXOHHIP-OAHLLOKOSA-N -1 1 336.391 3.122 20 30 EGEDMM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614296410 460082378 /nfs/dbraw/zinc/08/23/78/460082378.db2.gz ACCMQSICILVQRO-UHFFFAOYSA-N -1 1 335.363 3.173 20 30 EGEDMM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614300300 460084259 /nfs/dbraw/zinc/08/42/59/460084259.db2.gz DQKXTYFUWXXWDI-GOSISDBHSA-N -1 1 326.371 3.400 20 30 EGEDMM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cc([O-])cc(C#N)c2)s1 ZINC000614299107 460084585 /nfs/dbraw/zinc/08/45/85/460084585.db2.gz JNCAVJZVXAHGQZ-LLVKDONJSA-N -1 1 329.425 3.424 20 30 EGEDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cc(C#N)c2)C12CCCCC2 ZINC000614299877 460084658 /nfs/dbraw/zinc/08/46/58/460084658.db2.gz BCPWXDILTMJZCI-IAGOWNOFSA-N -1 1 328.412 3.122 20 30 EGEDMM COc1ccc([C@H](C)NC(=O)c2cc([O-])cc(C#N)c2)c(C)c1OC ZINC000589522302 460098771 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/nfs/dbraw/zinc/30/44/39/1380304439.db2.gz AVZOGDFNWAZGBG-ZDUSSCGKSA-N -1 1 343.386 3.159 20 30 EGEDMM C#Cc1ccc(CNC(=O)c2cc3cc(OC)ccc3cc2[O-])cc1 ZINC001154757944 1380347493 /nfs/dbraw/zinc/34/74/93/1380347493.db2.gz ZTYRBPBCGSXNOV-UHFFFAOYSA-N -1 1 331.371 3.465 20 30 EGEDMM O=c1[n-]c(=S)[nH]c(Nc2ccc(F)cn2)c1N=Cc1ccccc1 ZINC001175848714 1385421231 /nfs/dbraw/zinc/42/12/31/1385421231.db2.gz PWCCCIOGKVPMIU-UFWORHAWSA-N -1 1 341.371 3.499 20 30 EGEDMM C=CCC1([N-]S(=O)(=O)c2c(F)cc(F)cc2OC)CCCC1 ZINC001333161833 1390258228 /nfs/dbraw/zinc/25/82/28/1390258228.db2.gz GEZAYCCHNMJXBZ-UHFFFAOYSA-N -1 1 331.384 3.141 20 30 EGEDMM Cn1nc2c(c1C([O-])=C(C#N)c1ncc(C(C)(C)C)s1)CCC2 ZINC001343531094 1390720554 /nfs/dbraw/zinc/72/05/54/1390720554.db2.gz PQTNNBFFZUPDSB-NSHDSACASA-N -1 1 328.441 3.153 20 30 EGEDMM C#Cc1cccc(N(CC)C(=S)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000735391914 1429219545 /nfs/dbraw/zinc/21/95/45/1429219545.db2.gz XUKYBFRVSJJALH-UHFFFAOYSA-N -1 1 348.435 3.071 20 30 EGEDMM C[C@H](Nc1ccc2cc(-c3nnn[n-]3)ccc2n1)c1cccc(C#N)c1 ZINC000824662026 1429489761 /nfs/dbraw/zinc/48/97/61/1429489761.db2.gz ALFSCGMNSJDEIB-LBPRGKRZSA-N -1 1 341.378 3.460 20 30 EGEDMM Cc1ccc2oc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2c1 ZINC000737373545 1429629789 /nfs/dbraw/zinc/62/97/89/1429629789.db2.gz IDLDWURKGNDUMO-UHFFFAOYSA-N -1 1 344.334 3.045 20 30 EGEDMM O=C(C=Cc1ccc(F)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400581 1425819135 /nfs/dbraw/zinc/81/91/35/1425819135.db2.gz BVKVWBDLMXVZRM-ZZXKWVIFSA-N -1 1 330.269 3.180 20 30 EGEDMM CC(=NNc1ccc(Cl)c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819773961 1426193568 /nfs/dbraw/zinc/19/35/68/1426193568.db2.gz YMNRKPRROSNDCO-UHFFFAOYSA-N -1 1 330.754 3.495 20 30 EGEDMM Brc1cccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000819688814 1426607067 /nfs/dbraw/zinc/60/70/67/1426607067.db2.gz NBBCLODEBSEZGR-UHFFFAOYSA-N -1 1 349.217 3.137 20 30 EGEDMM C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823894473 1426695330 /nfs/dbraw/zinc/69/53/30/1426695330.db2.gz QZJKTYMMFWRRRZ-JTQLQIEISA-N -1 1 334.811 3.386 20 30 EGEDMM CCC(Cc1cccs1)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736353733 1426932449 /nfs/dbraw/zinc/93/24/49/1426932449.db2.gz XFNBXPJMKRILCP-UHFFFAOYSA-N -1 1 345.432 3.460 20 30 EGEDMM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(-n2cccn2)cc1 ZINC000822922314 1427065603 /nfs/dbraw/zinc/06/56/03/1427065603.db2.gz FMMAJYSSJYUXRQ-SREVYHEPSA-N -1 1 348.391 3.010 20 30 EGEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cc2c(s1)CCC2 ZINC000822923781 1427145993 /nfs/dbraw/zinc/14/59/93/1427145993.db2.gz UHATZTVFJMFDDP-SNAWJCMRSA-N -1 1 328.422 3.375 20 30 EGEDMM O=C1c2cc(F)ccc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823498260 1427236979 /nfs/dbraw/zinc/23/69/79/1427236979.db2.gz JCDCZGKDJKGWBP-UITAMQMPSA-N -1 1 342.355 3.116 20 30 EGEDMM CC1=CCC[C@H](C)[C@@H]1CN=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000824852627 1427522104 /nfs/dbraw/zinc/52/21/04/1427522104.db2.gz OSXCPCWUFZQIRA-NWDGAFQWSA-N -1 1 329.408 3.368 20 30 EGEDMM O=C(C=Cc1cc(F)c(F)c(F)c1)c1cccc(-c2nnn[n-]2)c1 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3.349 20 30 EGEDMM CCC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1F ZINC000820832730 1443434266 /nfs/dbraw/zinc/43/42/66/1443434266.db2.gz NFZHPLYXAOBPMD-UHFFFAOYSA-N -1 1 328.326 3.371 20 30 EGEDMM CC[C@H]1C[C@H](CN=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825181729 1443463424 /nfs/dbraw/zinc/46/34/24/1443463424.db2.gz FXCPHJWYLJGDBO-PWSUYJOCSA-N -1 1 334.811 3.123 20 30 EGEDMM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826289472 1443512449 /nfs/dbraw/zinc/51/24/49/1443512449.db2.gz BNIWKGQVNVEEGI-QPJJXVBHSA-N -1 1 326.306 3.349 20 30 EGEDMM CC(C)CO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000735838616 1443580617 /nfs/dbraw/zinc/58/06/17/1443580617.db2.gz IMTBCBBCUPQDFU-HNNXBMFYSA-N -1 1 328.420 3.106 20 30 EGEDMM Cc1ccoc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822379155 1446212637 /nfs/dbraw/zinc/21/26/37/1446212637.db2.gz LJCOQTWGRHWXOV-UHFFFAOYSA-N -1 1 336.277 3.233 20 30 EGEDMM Cc1ccoc1CN=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822379155 1446212638 /nfs/dbraw/zinc/21/26/38/1446212638.db2.gz LJCOQTWGRHWXOV-UHFFFAOYSA-N -1 1 336.277 3.233 20 30 EGEDMM N#Cc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(Cl)c1 ZINC000822832678 1446407027 /nfs/dbraw/zinc/40/70/27/1446407027.db2.gz DSXYTUPGKRDBKY-UHFFFAOYSA-N -1 1 342.702 3.092 20 30 EGEDMM Cc1cccc(CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)c1C ZINC000737392560 1446552276 /nfs/dbraw/zinc/55/22/76/1446552276.db2.gz YJOYCLOLKFXZAZ-UHFFFAOYSA-N -1 1 339.403 3.215 20 30 EGEDMM Cc1ccc2c(C)cc(NN=Cc3ccc(-c4nnn[n-]4)o3)nc2c1C ZINC000822275028 1446590067 /nfs/dbraw/zinc/59/00/67/1446590067.db2.gz NOOKOZOAEPPMCX-UHFFFAOYSA-N -1 1 347.382 3.379 20 30 EGEDMM Cc1ccc2c(C)cc(=NN=Cc3ccc(-c4nn[n-]n4)o3)[nH]c2c1C ZINC000822275028 1446590070 /nfs/dbraw/zinc/59/00/70/1446590070.db2.gz NOOKOZOAEPPMCX-UHFFFAOYSA-N -1 1 347.382 3.379 20 30 EGEDMM Cc1ccc2c(C)cc(=NN=Cc3ccc(-c4nnn[n-]4)o3)[nH]c2c1C ZINC000822275028 1446590073 /nfs/dbraw/zinc/59/00/73/1446590073.db2.gz NOOKOZOAEPPMCX-UHFFFAOYSA-N -1 1 347.382 3.379 20 30 EGEDMM C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823919759 1447003310 /nfs/dbraw/zinc/00/33/10/1447003310.db2.gz PHDZXCBPOSEGHG-UHFFFAOYSA-N -1 1 333.395 3.004 20 30 EGEDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C#N)ccc1Br ZINC001589308722 953779938 /nfs/dbraw/zinc/77/99/38/953779938.db2.gz ZGEBNGKSTKEING-JQWIXIFHSA-N -1 1 337.217 3.006 20 30 EGEDMM C[C@@H](CC=Nn1cnnc1SCc1ccc(Cl)cc1)C(=O)[O-] ZINC001592470442 978221579 /nfs/dbraw/zinc/22/15/79/978221579.db2.gz IPSGWDYWEGGUIK-JTQLQIEISA-N -1 1 338.820 3.169 20 30 EGEDMM O=C([O-])c1ccc(NN=C2COc3cc(Cl)cc(Cl)c32)nc1 ZINC000763369576 978722221 /nfs/dbraw/zinc/72/22/21/978722221.db2.gz IIUQNSDLMWOQIA-UHFFFAOYSA-N -1 1 338.150 3.295 20 30 EGEDMM C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cn2)CCC[N@H+]1Cc1ccccc1 ZINC000814890303 978896664 /nfs/dbraw/zinc/89/66/64/978896664.db2.gz KTBNCSYLTQGZKH-CQSZACIVSA-N -1 1 338.411 3.232 20 30 EGEDMM C[C@@H]1C(N=Nc2ccc(C(=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000814890303 978896673 /nfs/dbraw/zinc/89/66/73/978896673.db2.gz KTBNCSYLTQGZKH-CQSZACIVSA-N -1 1 338.411 3.232 20 30 EGEDMM CC(N=Nc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C(=O)[O-])cc1 ZINC000825808872 978941727 /nfs/dbraw/zinc/94/17/27/978941727.db2.gz HQLVWDRUSRJPMC-UHFFFAOYSA-N -1 1 330.294 3.375 20 30 EGEDMM C[C@H](C#N)Oc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001589335247 986207261 /nfs/dbraw/zinc/20/72/61/986207261.db2.gz NWVGELBZGPSKGQ-CQSZACIVSA-N -1 1 336.391 3.234 20 30 EGEDMM CCOc1cc(CN=Nc2cccc(F)c2C(=O)[O-])ccc1OC ZINC001597031665 986450070 /nfs/dbraw/zinc/45/00/70/986450070.db2.gz ABDWAUCORKEYPV-UHFFFAOYSA-N -1 1 332.331 3.377 20 30 EGEDMM C[C@@H](c1ccccc1)N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001593713300 996219938 /nfs/dbraw/zinc/21/99/38/996219938.db2.gz GKUCRYCWIXALKX-INIZCTEOSA-N -1 1 349.434 3.135 20 30 EGEDMM COc1cc(C#N)ccc1CN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001599347666 998037231 /nfs/dbraw/zinc/03/72/31/998037231.db2.gz IRWNYUQJFWNTJG-LJQANCHMSA-N -1 1 342.370 3.186 20 30 EGEDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(C#N)cc1OC(F)F 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3.073 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC000479249037 270055525 /nfs/dbraw/zinc/05/55/25/270055525.db2.gz RDWRDSKGLGBZHG-UHFFFAOYSA-N -1 1 335.388 3.421 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)cc1[O-] ZINC000189166801 268044954 /nfs/dbraw/zinc/04/49/54/268044954.db2.gz VHWDJRDXJRQNHB-HNNXBMFYSA-N -1 1 326.327 3.047 20 30 EGEDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(C#N)s2)[nH]n1 ZINC000435496592 268061296 /nfs/dbraw/zinc/06/12/96/268061296.db2.gz STIARHAZSZMJNL-UHFFFAOYSA-N -1 1 344.421 3.119 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1[O-] ZINC000442619030 268202681 /nfs/dbraw/zinc/20/26/81/268202681.db2.gz JUBJNXJGYHBKRK-IBGZPJMESA-N -1 1 329.359 3.178 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)cc1[O-] ZINC000442978221 268203751 /nfs/dbraw/zinc/20/37/51/268203751.db2.gz CEYJNHPVZNRSGH-SMDDNHRTSA-N -1 1 330.746 3.342 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cc1[O-] ZINC000437373230 268203860 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CC(C)OCc1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355849623 457424338 /nfs/dbraw/zinc/42/43/38/457424338.db2.gz VRHIJCYNIIXQNS-UHFFFAOYSA-N -1 1 344.436 3.478 20 30 EGEDMM Cc1nc(CNCc2cccc(OCCCC#N)c2)ccc1C(=O)[O-] ZINC000426635035 457867359 /nfs/dbraw/zinc/86/73/59/457867359.db2.gz SVDUOGXYDUNBDM-UHFFFAOYSA-N -1 1 339.395 3.061 20 30 EGEDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000358792893 458221222 /nfs/dbraw/zinc/22/12/22/458221222.db2.gz XOGDGOVBSBQJNT-UHFFFAOYSA-N -1 1 346.799 3.197 20 30 EGEDMM CC[C@H](CS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N)OC ZINC000421149759 458407973 /nfs/dbraw/zinc/40/79/73/458407973.db2.gz HTGURUJRBVLADT-CHWSQXEVSA-N -1 1 342.486 3.105 20 30 EGEDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C#N)c(Cl)c1 ZINC000421225827 458408748 /nfs/dbraw/zinc/40/87/48/458408748.db2.gz AEQXDIWWNJTHAG-ZDUSSCGKSA-N -1 1 330.837 3.014 20 30 EGEDMM C=CCCOCC[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451333536 458474142 /nfs/dbraw/zinc/47/41/42/458474142.db2.gz 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/nfs/dbraw/zinc/87/59/98/1375875998.db2.gz PUMJGZUEEQBXLR-NEXMIYJRSA-N -1 1 338.359 3.403 20 30 EGEDMM N#Cc1ccccc1N1CCN(Cc2ccc(Cl)c([O-])c2)CC1 ZINC001231733048 1376308115 /nfs/dbraw/zinc/30/81/15/1376308115.db2.gz KSOZYAQCZAFTIX-UHFFFAOYSA-N -1 1 327.815 3.239 20 30 EGEDMM C#C[C@H]1CCC[C@H]1Oc1cc(C(=O)OC)cc([O-])c1Br ZINC001233908880 1376735094 /nfs/dbraw/zinc/73/50/94/1376735094.db2.gz XESTUXGHXHYTAK-JOYOIKCWSA-N -1 1 339.185 3.122 20 30 EGEDMM N#Cc1ccc2c(c1)CCN(Cc1cn(CC(=O)[O-])c3ccccc13)C2 ZINC001138189033 1377688688 /nfs/dbraw/zinc/68/86/88/1377688688.db2.gz TZQGQZRKQPEELD-UHFFFAOYSA-N -1 1 345.402 3.156 20 30 EGEDMM N#Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1F ZINC001148799656 1379269929 /nfs/dbraw/zinc/26/99/29/1379269929.db2.gz TXXMWVSFYGYCRN-UHFFFAOYSA-N -1 1 338.260 3.352 20 30 EGEDMM N#Cc1ccc(NC(=O)c2c(O)cc3ccccc3c2[O-])c(C#N)c1 ZINC001154027947 1380185026 /nfs/dbraw/zinc/18/50/26/1380185026.db2.gz JXGHSSUMRYEDAY-UHFFFAOYSA-N -1 1 329.315 3.247 20 30 EGEDMM N#Cc1cc(F)c(NC(=O)c2ccc3[nH][n-]c(=O)c3c2)c(Cl)c1 ZINC001154209932 1380228883 /nfs/dbraw/zinc/22/88/83/1380228883.db2.gz VYBQTWLMESPEOO-UHFFFAOYSA-N -1 1 330.706 3.185 20 30 EGEDMM CN(CCCc1ccccc1)C(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1 ZINC001154555269 1380304679 /nfs/dbraw/zinc/30/46/79/1380304679.db2.gz APLAKIJLLNRCKL-UHFFFAOYSA-N -1 1 345.402 3.105 20 30 EGEDMM Cc1cccc(C2(NC(=O)c3cc(=O)c4cc(C#N)ccc4[n-]3)CC2)c1 ZINC001154560901 1380305753 /nfs/dbraw/zinc/30/57/53/1380305753.db2.gz RZTWHHBQAJSCSA-UHFFFAOYSA-N -1 1 343.386 3.127 20 30 EGEDMM [O-]N=C(Nc1ccc(Cl)nn1)c1ccc(OC(F)(F)F)cc1 ZINC001155909419 1380504695 /nfs/dbraw/zinc/50/46/95/1380504695.db2.gz NPHSOUJIEIWBAB-UHFFFAOYSA-N -1 1 332.669 3.277 20 30 EGEDMM COC(=O)n1ncc(C#N)c1[N-]c1nc(C)nc2c3ccccc3oc21 ZINC001158971031 1381492548 /nfs/dbraw/zinc/49/25/48/1381492548.db2.gz DOFSFUWSGXBNIJ-UHFFFAOYSA-N -1 1 348.322 3.111 20 30 EGEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCC#Cc2ccccc2)n1 ZINC001159373315 1381779886 /nfs/dbraw/zinc/77/98/86/1381779886.db2.gz QRQQSOMVIWSVBY-VCHYOVAHSA-N -1 1 332.816 3.124 20 30 EGEDMM [O-]/N=C/c1cc(NCCn2nnc3ccccc32)cc(C(F)(F)F)c1 ZINC001168931671 1384064066 /nfs/dbraw/zinc/06/40/66/1384064066.db2.gz NFQQATLPDZIYTF-UFFVCSGVSA-N -1 1 349.316 3.370 20 30 EGEDMM Cc1c(C#N)c(NCC(=O)c2ccc([O-])c(O)c2)nc2ccccc12 ZINC001170315625 1384289189 /nfs/dbraw/zinc/28/91/89/1384289189.db2.gz CVDXMHDUWOYCIM-UHFFFAOYSA-N -1 1 333.347 3.121 20 30 EGEDMM CC(=NNc1ccn(C)n1)c1cc(Br)cc(Cl)c1[O-] ZINC001321018163 1386784719 /nfs/dbraw/zinc/78/47/19/1386784719.db2.gz XYZQGBZQUCPJAI-UHFFFAOYSA-N -1 1 343.612 3.378 20 30 EGEDMM C[C@@H](C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(C#N)cc1 ZINC001182789231 1387224972 /nfs/dbraw/zinc/22/49/72/1387224972.db2.gz ZPBRDCDGAVTCTF-CYBMUJFWSA-N -1 1 332.363 3.192 20 30 EGEDMM N#CC(=C([O-])c1ccccc1[N+](=O)[O-])c1nccn1Cc1ccccc1 ZINC001342602472 1390631143 /nfs/dbraw/zinc/63/11/43/1390631143.db2.gz HJWWVEYOWAPIKD-MRXNPFEDSA-N -1 1 346.346 3.330 20 30 EGEDMM N#CC(=C([O-])c1ccc(OCC2CC2)nc1)c1cnc2ccccc2n1 ZINC001343393394 1390710785 /nfs/dbraw/zinc/71/07/85/1390710785.db2.gz DYDLPWJRZJRUJE-HNNXBMFYSA-N -1 1 344.374 3.304 20 30 EGEDMM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403329 1429077888 /nfs/dbraw/zinc/07/78/88/1429077888.db2.gz PANVYGYILZYKCE-FPLPWBNLSA-N -1 1 345.337 3.450 20 30 EGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(F)cc(F)c1 ZINC000826475468 1423279835 /nfs/dbraw/zinc/27/98/35/1423279835.db2.gz GUKFECAWEHIJKT-LFYBBSHMSA-N -1 1 338.317 3.357 20 30 EGEDMM C=CCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC000819733782 1423315699 /nfs/dbraw/zinc/31/56/99/1423315699.db2.gz BHGZSLPBKRAQIW-JTQLQIEISA-N -1 1 331.445 3.348 20 30 EGEDMM CC(=NNc1cccc2ncccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962182 1423930391 /nfs/dbraw/zinc/93/03/91/1423930391.db2.gz HGNQHRHLRRLNRS-UHFFFAOYSA-N -1 1 347.357 3.390 20 30 EGEDMM CCc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825704284 1423975363 /nfs/dbraw/zinc/97/53/63/1423975363.db2.gz GAGLIXPJOZAGPK-UHFFFAOYSA-N -1 1 341.806 3.314 20 30 EGEDMM CCc1ccc(C(C)=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825704284 1423975366 /nfs/dbraw/zinc/97/53/66/1423975366.db2.gz GAGLIXPJOZAGPK-UHFFFAOYSA-N -1 1 341.806 3.314 20 30 EGEDMM CCc1ccc(C(C)=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825704284 1423975370 /nfs/dbraw/zinc/97/53/70/1423975370.db2.gz GAGLIXPJOZAGPK-UHFFFAOYSA-N -1 1 341.806 3.314 20 30 EGEDMM Cc1ccc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000826289354 1424509378 /nfs/dbraw/zinc/50/93/78/1424509378.db2.gz WUMZYYSJGMFVRD-FNORWQNLSA-N -1 1 326.306 3.349 20 30 EGEDMM CC(C)(CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000735664569 1424655321 /nfs/dbraw/zinc/65/53/21/1424655321.db2.gz KXYISYJESBSPHP-UHFFFAOYSA-N -1 1 346.394 3.045 20 30 EGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000819773937 1424892310 /nfs/dbraw/zinc/89/23/10/1424892310.db2.gz XPJOYKZQWKCWBY-UHFFFAOYSA-N -1 1 332.820 3.095 20 30 EGEDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@@H](C)C#N)cc1 ZINC000822143904 1425253729 /nfs/dbraw/zinc/25/37/29/1425253729.db2.gz IBXHJWOEXUSZRK-LBPRGKRZSA-N -1 1 349.350 3.036 20 30 EGEDMM N#Cc1cccc(Cl)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822837171 1426393450 /nfs/dbraw/zinc/39/34/50/1426393450.db2.gz IGUPJNQJSMORPJ-UHFFFAOYSA-N -1 1 328.738 3.143 20 30 EGEDMM CCCC[C@@H](CC)CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736439621 1426402823 /nfs/dbraw/zinc/40/28/23/1426402823.db2.gz XQOVYPZGTJFGPC-GFCCVEGCSA-N -1 1 326.404 3.283 20 30 EGEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1OC(F)F ZINC000822922288 1426535301 /nfs/dbraw/zinc/53/53/01/1426535301.db2.gz FFPBDNNNPHFATB-AATRIKPKSA-N -1 1 348.334 3.426 20 30 EGEDMM C=CC[C@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000735409747 1426599458 /nfs/dbraw/zinc/59/94/58/1426599458.db2.gz KADLVRYHOZXXLZ-ZDUSSCGKSA-N -1 1 333.395 3.228 20 30 EGEDMM C=C[C@H](CC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21)c1ccccc1 ZINC000823883519 1426892899 /nfs/dbraw/zinc/89/28/99/1426892899.db2.gz SEEOZSAJOWOESM-CQSZACIVSA-N -1 1 345.406 3.116 20 30 EGEDMM CC(=NNc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450835 1427027689 /nfs/dbraw/zinc/02/76/89/1427027689.db2.gz FMFLFJRPJCIBSE-UHFFFAOYSA-N -1 1 332.289 3.120 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC2CCC[C@@H](C3CC3)C2)o1 ZINC000735938894 1427609678 /nfs/dbraw/zinc/60/96/78/1427609678.db2.gz GRGXIUCIDCGZOQ-LLVKDONJSA-N -1 1 329.408 3.346 20 30 EGEDMM Cc1ccc(C)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000737320442 1428113961 /nfs/dbraw/zinc/11/39/61/1428113961.db2.gz QYQKUFNOLNYIQK-VOTSOKGWSA-N -1 1 344.378 3.027 20 30 EGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CCC[C@H]2c2ccc(C)cc2)o1 ZINC000737329449 1430006153 /nfs/dbraw/zinc/00/61/53/1430006153.db2.gz JWSHJHKCXRVWRU-ZDUSSCGKSA-N -1 1 337.387 3.207 20 30 EGEDMM CCCCCCCCOCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271592 1441442387 /nfs/dbraw/zinc/44/23/87/1441442387.db2.gz LHEXZPQSDAPWSL-UHFFFAOYSA-N -1 1 345.447 3.207 20 30 EGEDMM C#CCOc1ccccc1CNc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823861524 1441459567 /nfs/dbraw/zinc/45/95/67/1441459567.db2.gz LRCOEYPUPNRWKB-UHFFFAOYSA-N -1 1 339.786 3.144 20 30 EGEDMM C[C@H](N=Cc1cc2ccccc2[nH]c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820308907 1443321407 /nfs/dbraw/zinc/32/14/07/1443321407.db2.gz ZKZZMBAZJILPJN-DQAKUKQTSA-N -1 1 344.378 3.301 20 30 EGEDMM COc1ccc(C=C2Cc3c(cccc3C)C2=O)cc1-c1nnn[n-]1 ZINC000737081561 1443775446 /nfs/dbraw/zinc/77/54/46/1443775446.db2.gz GGERVLSZIIFETI-JYRVWZFOSA-N -1 1 332.363 3.006 20 30 EGEDMM N#Cc1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1F ZINC000826386668 1446135183 /nfs/dbraw/zinc/13/51/83/1446135183.db2.gz NUYXYXCTPCJUCO-UHFFFAOYSA-N -1 1 329.335 3.309 20 30 EGEDMM C=CCN(CC1CCCCC1)C(=O)c1sccc1-c1nnn[n-]1 ZINC000735418347 1446499254 /nfs/dbraw/zinc/49/92/54/1446499254.db2.gz BFQSCUNDBSEZHX-UHFFFAOYSA-N -1 1 331.445 3.137 20 30 EGEDMM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000820487760 1446908764 /nfs/dbraw/zinc/90/87/64/1446908764.db2.gz INLLLGQWIYDAKE-OCHBPSSRSA-N -1 1 345.362 3.056 20 30 EGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NC=CCc2ccccc2)n1 ZINC000826350141 1447062751 /nfs/dbraw/zinc/06/27/51/1447062751.db2.gz JVHHQZIJEUPALV-CORJSSHVSA-N -1 1 325.763 3.026 20 30 EGEDMM C[C@H](CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)Cc1ccccc1 ZINC000824385173 1447105644 /nfs/dbraw/zinc/10/56/44/1447105644.db2.gz NLNVJEWMVIRCKI-NSHDSACASA-N -1 1 341.806 3.192 20 30 EGEDMM C[C@@H](Nc1nc2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(C#N)cc1 ZINC000824662189 1447295287 /nfs/dbraw/zinc/29/52/87/1447295287.db2.gz FHITYUMGBYDLRL-GFCCVEGCSA-N -1 1 345.410 3.185 20 30 EGEDMM O=C([O-])[C@@H]1c2ccccc2CCN1CC#Cc1ccc(Cl)cc1 ZINC001594964309 955034611 /nfs/dbraw/zinc/03/46/11/955034611.db2.gz GNUOTVAKWIEBPZ-SFHVURJKSA-N -1 1 325.795 3.376 20 30 EGEDMM C=CCOc1c(Cl)cc(CN2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000901415629 956303641 /nfs/dbraw/zinc/30/36/41/956303641.db2.gz NIXVXWKURZDNKL-CYBMUJFWSA-N -1 1 339.819 3.210 20 30 EGEDMM CCCc1nc(C)cc(OCCOc2ccc(C#N)cc2)c1C(=O)[O-] ZINC001596090235 983415344 /nfs/dbraw/zinc/41/53/44/983415344.db2.gz XZOGMCOURBRRPN-UHFFFAOYSA-N -1 1 340.379 3.370 20 30 EGEDMM C[C@@H](NCc1cccc(C(=O)[O-])c1C#N)c1cccc(-n2cccn2)c1 ZINC001593305372 994763349 /nfs/dbraw/zinc/76/33/49/994763349.db2.gz YRJYXFACNMJKKN-CQSZACIVSA-N -1 1 346.390 3.293 20 30 EGEDMM Cc1ccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)o3)CCC2)cc1C ZINC000344761673 144221448 /nfs/dbraw/zinc/22/14/48/144221448.db2.gz PZQFGSSTMFDQRS-UHFFFAOYSA-N -1 1 344.436 3.168 20 30 EGEDMM CC(=Cc1ccc(F)c(C#N)c1Cl)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435339930 270051084 /nfs/dbraw/zinc/05/10/84/270051084.db2.gz ZAKXMCGRAXMQQD-VMPITWQZSA-N -1 1 328.734 3.175 20 30 EGEDMM CC(=Cc1ccc(F)cc1Br)c1nc(C)c(C#N)c(=O)[n-]1 ZINC000435334818 270051393 /nfs/dbraw/zinc/05/13/93/270051393.db2.gz CRRVLXKWWWAHAD-VMPITWQZSA-N -1 1 348.175 3.412 20 30 EGEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000442975268 270051990 /nfs/dbraw/zinc/05/19/90/270051990.db2.gz JSLZWBDDBYVHKY-IAGOWNOFSA-N -1 1 330.428 3.320 20 30 EGEDMM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2nn[nH]c21 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N#Cc1ccc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)cc1[O-] ZINC000188724352 268044990 /nfs/dbraw/zinc/04/49/90/268044990.db2.gz YFJZTZBTAVMGPL-RDTXWAMCSA-N -1 1 336.391 3.162 20 30 EGEDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(F)c3)cc2s1 ZINC000427136677 268081088 /nfs/dbraw/zinc/08/10/88/268081088.db2.gz LUWPBCMZYKWAKU-UHFFFAOYSA-N -1 1 347.396 3.416 20 30 EGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000189225749 268161709 /nfs/dbraw/zinc/16/17/09/268161709.db2.gz CTWNXKNYCCPLQT-UHFFFAOYSA-N -1 1 340.326 3.464 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[O-] ZINC000443303699 268199255 /nfs/dbraw/zinc/19/92/55/268199255.db2.gz SLKBRCZEAQHGIY-STQMWFEESA-N -1 1 326.318 3.362 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)cc1[O-] ZINC000443303696 268199670 /nfs/dbraw/zinc/19/96/70/268199670.db2.gz SLKBRCZEAQHGIY-CHWSQXEVSA-N -1 1 326.318 3.362 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000451667856 268256940 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CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293689 460083430 /nfs/dbraw/zinc/08/34/30/460083430.db2.gz TYTCGWOVYKDUJG-UHFFFAOYSA-N -1 1 335.407 3.136 20 30 EGEDMM CC(C)[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nc2ccccc2[nH]1 ZINC000614363309 460114911 /nfs/dbraw/zinc/11/49/11/460114911.db2.gz UGZNLYUFMRQFDG-QGZVFWFLSA-N -1 1 334.379 3.267 20 30 EGEDMM COc1ccc(C2(NC(=O)c3cc([O-])cc(C#N)c3)CCCC2)cc1 ZINC000614368181 460117692 /nfs/dbraw/zinc/11/76/92/460117692.db2.gz BDNYMOZLRXKHKU-UHFFFAOYSA-N -1 1 336.391 3.472 20 30 EGEDMM Cc1ccc(CNC(=O)c2cc([O-])cc(C#N)c2)c(OCC2CC2)c1 ZINC000614375162 460120511 /nfs/dbraw/zinc/12/05/11/460120511.db2.gz FYBZPPLWHUTMIL-UHFFFAOYSA-N -1 1 336.391 3.291 20 30 EGEDMM CCC[C@H](C#N)NC(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000589835078 460145969 /nfs/dbraw/zinc/14/59/69/460145969.db2.gz RUJIEZDMFFZNPU-SECBINFHSA-N -1 1 348.200 3.125 20 30 EGEDMM CSCc1ccccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463713 460363448 /nfs/dbraw/zinc/36/34/48/460363448.db2.gz 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/nfs/dbraw/zinc/12/04/20/1383120420.db2.gz DNUZHCJDNITILS-UHFFFAOYSA-N -1 1 340.236 3.239 20 30 EGEDMM O=c1c(Nc2cccc(/C=N/[O-])c2)cc(Cl)nn1-c1ccccc1 ZINC001169830085 1384189672 /nfs/dbraw/zinc/18/96/72/1384189672.db2.gz FNBGTCRCICACDT-YBFXNURJSA-N -1 1 340.770 3.438 20 30 EGEDMM O=C1NCc2ccccc2[C@@H]1Nc1cc(/C=N/[O-])cc(C(F)(F)F)c1 ZINC001169887238 1384195169 /nfs/dbraw/zinc/19/51/69/1384195169.db2.gz YCMCLLHEFNPSIW-WONWXIRYSA-N -1 1 349.312 3.297 20 30 EGEDMM N#CCc1cc2ccccc2nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170315935 1384289096 /nfs/dbraw/zinc/28/90/96/1384289096.db2.gz KFNJWKFHBWFOAN-UHFFFAOYSA-N -1 1 333.347 3.007 20 30 EGEDMM N=C(c1ccccc1N)N([O-])C(=O)Cc1ccc(-c2ccccn2)cc1 ZINC001177951427 1386093522 /nfs/dbraw/zinc/09/35/22/1386093522.db2.gz OCUKPODWQWUMLK-UHFFFAOYSA-N -1 1 346.390 3.117 20 30 EGEDMM CCOCc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1 ZINC001339656009 1390099031 /nfs/dbraw/zinc/09/90/31/1390099031.db2.gz ACTSFCFLBHHGJQ-UHFFFAOYSA-N -1 1 330.409 3.090 20 30 EGEDMM CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC(C#N)CC1 ZINC001342651840 1390636576 /nfs/dbraw/zinc/63/65/76/1390636576.db2.gz PRAUJOKBPLKJND-UHFFFAOYSA-N -1 1 331.807 3.064 20 30 EGEDMM C=C(C)Cn1c(-c2ccc(Cl)cc2[O-])nnc1N1CC[C@@H](OC)C1 ZINC001343509585 1390718886 /nfs/dbraw/zinc/71/88/86/1390718886.db2.gz PZJDEJNJJKKYQQ-CYBMUJFWSA-N -1 1 348.834 3.105 20 30 EGEDMM CCOC(=O)c1sc([N-]C(=O)c2cnc(C3CC3)o2)c(C#N)c1C ZINC001349991745 1391395885 /nfs/dbraw/zinc/39/58/85/1391395885.db2.gz QPRHQBUMNVBVGB-UHFFFAOYSA-N -1 1 345.380 3.223 20 30 EGEDMM C=C[C@H](CCC(=O)[O-])NCc1csc(-c2ccc(OC)cc2)n1 ZINC001350652774 1391498996 /nfs/dbraw/zinc/49/89/96/1391498996.db2.gz KRQTZIYRIBNXRE-CYBMUJFWSA-N -1 1 332.425 3.328 20 30 EGEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)C[C@H](C)C#N ZINC001352014140 1391744596 /nfs/dbraw/zinc/74/45/96/1391744596.db2.gz YHDMTMBWAXPIQR-LLVKDONJSA-N -1 1 331.807 3.086 20 30 EGEDMM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1OC(F)F ZINC000826402017 1428714570 /nfs/dbraw/zinc/71/45/70/1428714570.db2.gz LKJWKYQBAPHJAA-MDZDMXLPSA-N -1 1 342.305 3.364 20 30 EGEDMM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC000822801451 1429303130 /nfs/dbraw/zinc/30/31/30/1429303130.db2.gz JQWJZYBMIPZOGI-GDBMZVCRSA-N -1 1 348.385 3.282 20 30 EGEDMM C=C[C@H](CC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883030 1429474201 /nfs/dbraw/zinc/47/42/01/1429474201.db2.gz IXCBGESPVPZZRH-HUUCEWRRSA-N -1 1 347.422 3.404 20 30 EGEDMM N#Cc1ccc(F)c(CN[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC000826385518 1423802172 /nfs/dbraw/zinc/80/21/72/1423802172.db2.gz PSCAUOBPBPNHOH-SFHVURJKSA-N -1 1 348.385 3.045 20 30 EGEDMM N#Cc1ccc(F)c(CN[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC000826385518 1423802175 /nfs/dbraw/zinc/80/21/75/1423802175.db2.gz PSCAUOBPBPNHOH-SFHVURJKSA-N -1 1 348.385 3.045 20 30 EGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NC2C3CC4CC(C3)CC2C4)n1 ZINC000826350019 1424771949 /nfs/dbraw/zinc/77/19/49/1424771949.db2.gz FDCLACQUABTESE-UHFFFAOYSA-N -1 1 343.822 3.139 20 30 EGEDMM O=C1c2ccccc2SCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475586 1424977717 /nfs/dbraw/zinc/97/77/17/1424977717.db2.gz KKMPMXXMSIXQEQ-XFFZJAGNSA-N -1 1 338.367 3.378 20 30 EGEDMM CCN(Cc1ccc(C#N)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825435248 1424993509 /nfs/dbraw/zinc/99/35/09/1424993509.db2.gz RESIPQWGCISLRZ-GFCCVEGCSA-N -1 1 338.440 3.383 20 30 EGEDMM CCN(Cc1ccc(C#N)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435248 1424993515 /nfs/dbraw/zinc/99/35/15/1424993515.db2.gz RESIPQWGCISLRZ-GFCCVEGCSA-N -1 1 338.440 3.383 20 30 EGEDMM COc1ccsc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826221787 1424993643 /nfs/dbraw/zinc/99/36/43/1424993643.db2.gz UZDLRBBKOUXVLL-UHFFFAOYSA-N -1 1 334.792 3.036 20 30 EGEDMM C[C@@H](NCC#Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824553309 1425069945 /nfs/dbraw/zinc/06/99/45/1425069945.db2.gz BLJHKBWQTTXUCI-CYBMUJFWSA-N -1 1 337.814 3.222 20 30 EGEDMM N#Cc1ccccc1OCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000737727407 1425791905 /nfs/dbraw/zinc/79/19/05/1425791905.db2.gz KRGJXIIMIKVRDL-UHFFFAOYSA-N -1 1 341.371 3.049 20 30 EGEDMM C(=NNc1ccc(-c2nnn[n-]2)cc1)c1cccn1Cc1cccs1 ZINC000823861898 1426473094 /nfs/dbraw/zinc/47/30/94/1426473094.db2.gz SKMRHRWXOVXESU-UHFFFAOYSA-N -1 1 349.423 3.224 20 30 EGEDMM CC(C)CCCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820072692 1426513310 /nfs/dbraw/zinc/51/33/10/1426513310.db2.gz KTRJVMPTQXHDAP-UHFFFAOYSA-N -1 1 326.404 3.283 20 30 EGEDMM CC(C)(C#N)c1ccccc1COC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819891626 1426783649 /nfs/dbraw/zinc/78/36/49/1426783649.db2.gz DWYHMVYQSJSZFW-UHFFFAOYSA-N -1 1 347.378 3.025 20 30 EGEDMM CCCCCCCCOCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736446426 1426892262 /nfs/dbraw/zinc/89/22/62/1426892262.db2.gz BCQJWIFGYRMVTR-UHFFFAOYSA-N -1 1 331.420 3.182 20 30 EGEDMM Cc1cccc(C=NNc2ccc(-c3nnn[n-]3)cc2)c1OC(F)F ZINC000826297319 1426965105 /nfs/dbraw/zinc/96/51/05/1426965105.db2.gz BORYIXSJTCKXJI-UHFFFAOYSA-N -1 1 344.325 3.223 20 30 EGEDMM N#Cc1ccc(Sc2snc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000826386171 1427430189 /nfs/dbraw/zinc/43/01/89/1427430189.db2.gz SFFIFSLAAPZCHT-UHFFFAOYSA-N -1 1 338.780 3.139 20 30 EGEDMM C[C@H]1CCC[C@@H](CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1 ZINC000824928215 1427698231 /nfs/dbraw/zinc/69/82/31/1427698231.db2.gz SIKXXKLZMDRTFA-WDEREUQCSA-N -1 1 331.424 3.376 20 30 EGEDMM C#CC[C@H](N[C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1ccccc1 ZINC000823837745 1429994253 /nfs/dbraw/zinc/99/42/53/1429994253.db2.gz GYVMOAFLCDKEHS-ACJLOTCBSA-N -1 1 335.386 3.421 20 30 EGEDMM Cc1c(C(=O)C=Cc2ccccc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737424226 1441496935 /nfs/dbraw/zinc/49/69/35/1441496935.db2.gz UMDHVCQMNJLQCR-KTKRTIGZSA-N -1 1 333.395 3.127 20 30 EGEDMM O=C(C=Cc1cnc(C2CCC2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822935037 1441604953 /nfs/dbraw/zinc/60/49/53/1441604953.db2.gz GCUMBGFGSBOIBH-CMDGGOBGSA-N -1 1 337.408 3.487 20 30 EGEDMM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc(C#N)c1 ZINC000825351273 1441750584 /nfs/dbraw/zinc/75/05/84/1441750584.db2.gz BHSDOKLEECIENA-UHFFFAOYSA-N -1 1 329.367 3.165 20 30 EGEDMM CC(C)(C)c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000819958817 1441814604 /nfs/dbraw/zinc/81/46/04/1441814604.db2.gz QUDJHPAXSAAZJY-UHFFFAOYSA-N -1 1 346.394 3.288 20 30 EGEDMM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823504827 1442059537 /nfs/dbraw/zinc/05/95/37/1442059537.db2.gz VCJUIAFIRFGBDZ-CLFYSBASSA-N -1 1 342.355 3.116 20 30 EGEDMM C=CCCCOC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819740185 1442170195 /nfs/dbraw/zinc/17/01/95/1442170195.db2.gz SIKACLCKZRMYIV-UHFFFAOYSA-N -1 1 326.278 3.009 20 30 EGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccncc1 ZINC000735450882 1442331179 /nfs/dbraw/zinc/33/11/79/1442331179.db2.gz ICHJKXURTBFHRU-UHFFFAOYSA-N -1 1 347.304 3.117 20 30 EGEDMM CCCCCCCn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000736449285 1442439331 /nfs/dbraw/zinc/43/93/31/1442439331.db2.gz UINSTFKMPRSEBS-UHFFFAOYSA-N -1 1 325.420 3.404 20 30 EGEDMM Fc1ccc(C=NNc2ccc(-c3nnn[n-]3)cc2)c2ncccc12 ZINC000822766825 1443348155 /nfs/dbraw/zinc/34/81/55/1443348155.db2.gz OJTLXSIWNJMXFB-UHFFFAOYSA-N -1 1 333.330 3.000 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2CCc3ccccc32)o1 ZINC000824352527 1443419281 /nfs/dbraw/zinc/41/92/81/1443419281.db2.gz HCHWGEHVBQONDJ-LBPRGKRZSA-N -1 1 337.387 3.106 20 30 EGEDMM Brc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819688998 1443560853 /nfs/dbraw/zinc/56/08/53/1443560853.db2.gz SBYWJIGOOYYPDO-UHFFFAOYSA-N -1 1 349.217 3.137 20 30 EGEDMM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC[C@@H](C3CC3)C2)n1 ZINC000826349988 1443602840 /nfs/dbraw/zinc/60/28/40/1443602840.db2.gz CIOFMIUTDHHTKQ-SNVBAGLBSA-N -1 1 331.811 3.283 20 30 EGEDMM C=CCC[C@H](NC(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734376 1443760415 /nfs/dbraw/zinc/76/04/15/1443760415.db2.gz NFMRYMKRMFDALC-SFHVURJKSA-N -1 1 347.422 3.233 20 30 EGEDMM CC(=NNc1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958544 1446806727 /nfs/dbraw/zinc/80/67/27/1446806727.db2.gz QAAMIVOYLKXBGW-UHFFFAOYSA-N -1 1 347.357 3.390 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CCC)C(C)C ZINC000823909700 1446873178 /nfs/dbraw/zinc/87/31/78/1446873178.db2.gz NWCHDJNKNXYQFS-QGZVFWFLSA-N -1 1 341.459 3.454 20 30 EGEDMM O=C(C=Cc1cc(F)cc(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399880 1446967288 /nfs/dbraw/zinc/96/72/88/1446967288.db2.gz IYCPONUETOKEKR-RJRFIUFISA-N -1 1 330.269 3.180 20 30 EGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CCc2ccc(F)cc21 ZINC000826475879 1447173597 /nfs/dbraw/zinc/17/35/97/1447173597.db2.gz UXAYPKHCYHIERJ-JXMROGBWSA-N -1 1 326.356 3.280 20 30 EGEDMM CC[C@H]1CN(C)c2ccccc2CN1Cc1cccc(C(=O)[O-])c1C#N ZINC001595483752 981213783 /nfs/dbraw/zinc/21/37/83/981213783.db2.gz QLTPDEKWMGACQI-KRWDZBQOSA-N -1 1 349.434 3.487 20 30 EGEDMM CCCCCn1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)n1 ZINC001595727554 982352749 /nfs/dbraw/zinc/35/27/49/982352749.db2.gz OJWAWVZDMMYXBU-GOSISDBHSA-N -1 1 340.427 3.169 20 30 EGEDMM C=CCNC(=S)Nc1ccc(Cl)cc1SCCC(=O)[O-] ZINC001588845536 984363931 /nfs/dbraw/zinc/36/39/31/984363931.db2.gz VDCRNKIWSNHTMV-UHFFFAOYSA-N -1 1 330.862 3.379 20 30 EGEDMM C[C@H](C#N)Oc1ccc(C=NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001589331306 986184153 /nfs/dbraw/zinc/18/41/53/986184153.db2.gz AKRFUSIYSZPLJG-LLVKDONJSA-N -1 1 327.315 3.261 20 30 EGEDMM CC[C@H](C#N)Oc1cccc(CNCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001594725451 987231067 /nfs/dbraw/zinc/23/10/67/987231067.db2.gz XDGHCXOXPZETSK-WHLNPGIBSA-N -1 1 340.379 3.348 20 30 EGEDMM N#Cc1cc([N-]S(=O)(=O)Cc2cccc(F)c2)nc2ccccc12 ZINC000351217977 144260124 /nfs/dbraw/zinc/26/01/24/144260124.db2.gz FGPCLMLYPDGSDE-UHFFFAOYSA-N -1 1 341.367 3.187 20 30 EGEDMM N#Cc1ccc(C(=O)N(Cc2c(F)cccc2F)C2CC2)cc1[O-] ZINC000189987001 153110612 /nfs/dbraw/zinc/11/06/12/153110612.db2.gz JFCUWXNVAHDHEK-UHFFFAOYSA-N -1 1 328.318 3.347 20 30 EGEDMM Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1 ZINC000134686511 162496245 /nfs/dbraw/zinc/49/62/45/162496245.db2.gz SIJLPKRPJBTSHL-UHFFFAOYSA-N -1 1 339.376 3.323 20 30 EGEDMM N#Cc1cc(C(=O)Nc2ccc(F)cc2[O-])cnc1C(F)(F)F ZINC000343886624 164058978 /nfs/dbraw/zinc/05/89/78/164058978.db2.gz KBYNHIVHHYZULG-UHFFFAOYSA-N -1 1 325.221 3.069 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000360854506 167430131 /nfs/dbraw/zinc/43/01/31/167430131.db2.gz CNUGSAWETKDROR-UHFFFAOYSA-N -1 1 338.335 3.003 20 30 EGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000178040359 267312358 /nfs/dbraw/zinc/31/23/58/267312358.db2.gz LDZXYPHKLWCYKS-UHFFFAOYSA-N -1 1 334.372 3.016 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)ccc1C#N ZINC000435764208 268019658 /nfs/dbraw/zinc/01/96/58/268019658.db2.gz YCHMERNOJAERIS-UHFFFAOYSA-N -1 1 331.784 3.193 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000286870941 268204887 /nfs/dbraw/zinc/20/48/87/268204887.db2.gz MGPDYQGXXNWEMT-MRXNPFEDSA-N -1 1 334.372 3.110 20 30 EGEDMM CC(C)n1cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2n1 ZINC000134035267 307680670 /nfs/dbraw/zinc/68/06/70/307680670.db2.gz QEMOHUVSYZUIBN-UHFFFAOYSA-N -1 1 340.408 3.290 20 30 EGEDMM CC(C)N1Cc2cccc([N-]S(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000180713158 455232553 /nfs/dbraw/zinc/23/25/53/455232553.db2.gz WBXVEQVWGXVBCG-UHFFFAOYSA-N -1 1 341.436 3.083 20 30 EGEDMM COc1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1OC ZINC000026255150 453795336 /nfs/dbraw/zinc/79/53/36/453795336.db2.gz UBZYEBKMRWHXOL-UHFFFAOYSA-N -1 1 344.293 3.062 20 30 EGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000066587696 453853422 /nfs/dbraw/zinc/85/34/22/453853422.db2.gz FGLUXPYPMNQBSF-UHFFFAOYSA-N -1 1 328.393 3.314 20 30 EGEDMM C=C(C)COc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000066587697 453853449 /nfs/dbraw/zinc/85/34/49/453853449.db2.gz LFFRZZZBNGCRFQ-UHFFFAOYSA-N -1 1 328.393 3.314 20 30 EGEDMM CSCc1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000041510003 453969898 /nfs/dbraw/zinc/96/98/98/453969898.db2.gz XSPZQWRJWKTNFX-OAHLLOKOSA-N -1 1 340.452 3.358 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@@H](C)S3)n1 ZINC000041521655 453970006 /nfs/dbraw/zinc/97/00/06/453970006.db2.gz MOVLCOJIXWVSGE-MWLCHTKSSA-N -1 1 343.433 3.374 20 30 EGEDMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000063849451 454454651 /nfs/dbraw/zinc/45/46/51/454454651.db2.gz KJBLNWUAYCOMMN-UHFFFAOYSA-N -1 1 330.409 3.284 20 30 EGEDMM COc1cc(C(=O)N[C@@H](C#N)c2ccccc2F)cc(Cl)c1[O-] ZINC000135053380 454629037 /nfs/dbraw/zinc/62/90/37/454629037.db2.gz MJCOPZFWQZPBJF-ZDUSSCGKSA-N -1 1 334.734 3.188 20 30 EGEDMM Cc1ccc(-c2nc([N-]C(=O)c3c(F)cc(C#N)cc3F)n[nH]2)cc1 ZINC000154070420 454863172 /nfs/dbraw/zinc/86/31/72/454863172.db2.gz WGLMMUNVYBRUAC-UHFFFAOYSA-N -1 1 339.305 3.182 20 30 EGEDMM C=CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000116852984 455073080 /nfs/dbraw/zinc/07/30/80/455073080.db2.gz KZFNJMPXCSHVNW-CQSZACIVSA-N -1 1 344.436 3.182 20 30 EGEDMM Cc1nn(C(C)(C)C)cc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000181463150 455338697 /nfs/dbraw/zinc/33/86/97/455338697.db2.gz MFIWALNJTPNYRR-CYBMUJFWSA-N -1 1 335.411 3.323 20 30 EGEDMM O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C/c1ccc([O-])c(F)c1 ZINC000181481510 455340628 /nfs/dbraw/zinc/34/06/28/455340628.db2.gz OLGIYDJUGSJSNM-OQFOIZHKSA-N -1 1 333.246 3.237 20 30 EGEDMM C=CCCCCCN(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000265695261 455363504 /nfs/dbraw/zinc/36/35/04/455363504.db2.gz BEUCHNPSSSKEGM-UHFFFAOYSA-N -1 1 337.489 3.350 20 30 EGEDMM N#Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c(F)c1 ZINC000192482957 455628415 /nfs/dbraw/zinc/62/84/15/455628415.db2.gz GOKOEVRBYFCKMZ-UHFFFAOYSA-N -1 1 345.399 3.367 20 30 EGEDMM COc1cc(C=NNc2nc3ccccc3s2)cc([N+](=O)[O-])c1[O-] ZINC000252617448 455823731 /nfs/dbraw/zinc/82/37/31/455823731.db2.gz KSZAFFRWOCWNFB-UHFFFAOYSA-N -1 1 344.352 3.365 20 30 EGEDMM N#CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCCC1 ZINC000194766571 455881810 /nfs/dbraw/zinc/88/18/10/455881810.db2.gz OHZRYKSSXGBZON-UHFFFAOYSA-N -1 1 333.240 3.498 20 30 EGEDMM N#Cc1ccc(C(=O)N2CCC(OCc3ccccc3)CC2)cc1[O-] ZINC000188238722 456028305 /nfs/dbraw/zinc/02/83/05/456028305.db2.gz PRPLEYHUJJOVSF-UHFFFAOYSA-N -1 1 336.391 3.085 20 30 EGEDMM 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CCOc1ccc(NN=Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000814984852 1318862787 /nfs/dbraw/zinc/86/27/87/1318862787.db2.gz WGKJMYLMEKYPNV-UHFFFAOYSA-N -1 1 331.328 3.154 20 30 EGEDMM C=C(Cl)COc1ccc(C(C)=NNc2nc(C)cc(=O)[n-]2)cc1 ZINC000917529270 1319829281 /nfs/dbraw/zinc/82/92/81/1319829281.db2.gz LQCUIMWUNFPVPB-UHFFFAOYSA-N -1 1 332.791 3.458 20 30 EGEDMM C#CC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000842634325 1321410429 /nfs/dbraw/zinc/41/04/29/1321410429.db2.gz UOJQIXZJSDELKN-UHFFFAOYSA-N -1 1 335.403 3.174 20 30 EGEDMM CCOC(=O)c1[nH]c(C)c(/C=C2/Cc3cc([O-])ccc3C2=O)c1C ZINC000863188478 1329532838 /nfs/dbraw/zinc/53/28/38/1329532838.db2.gz WIQOKFHBBNZHSP-LCYFTJDESA-N -1 1 325.364 3.336 20 30 EGEDMM C=CCC1(S(=O)(=O)[N-]c2cc(C)cc(Br)n2)CC1 ZINC001190773500 1367347877 /nfs/dbraw/zinc/34/78/77/1367347877.db2.gz ZYRNHGRJNMCCMF-UHFFFAOYSA-N -1 1 331.235 3.003 20 30 EGEDMM N#Cc1cc(NC(=O)c2ccc(O)cc2[O-])ccc1OC(F)(F)F ZINC001325160295 1387908483 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EGEDMM C#Cc1cc([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)ccn1 ZINC001188803283 1388380163 /nfs/dbraw/zinc/38/01/63/1388380163.db2.gz QJXWBMAWKIUHCF-UHFFFAOYSA-N -1 1 348.383 3.185 20 30 EGEDMM C#C[C@H](CCC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228110872 1375517738 /nfs/dbraw/zinc/51/77/38/1375517738.db2.gz NOQBKRLSXIBDKF-CQSZACIVSA-N -1 1 326.348 3.215 20 30 EGEDMM C#CC[C@@H](CC)Oc1ccc(S(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001228171153 1375523788 /nfs/dbraw/zinc/52/37/88/1375523788.db2.gz HEHNZTJKLBULGW-OAHLLOKOSA-N -1 1 330.405 3.406 20 30 EGEDMM COC[C@H](C)Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)cc1 ZINC001229264465 1375797374 /nfs/dbraw/zinc/79/73/74/1375797374.db2.gz AUBLDDPLETVPDP-KADSFNECSA-N -1 1 328.364 3.408 20 30 EGEDMM C=CCOCc1ncn2c1CN(Cc1ccc(Cl)c([O-])c1)CCC2 ZINC001231731475 1376306393 /nfs/dbraw/zinc/30/63/93/1376306393.db2.gz MPNHEBNMAZVPTD-UHFFFAOYSA-N -1 1 347.846 3.351 20 30 EGEDMM N#Cc1ccc([O-])c(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC001232678961 1376499822 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COc1ccc(C(C)(C)CC(=O)N([O-])C(=N)c2ccccc2N)cc1 ZINC001182442141 1387167202 /nfs/dbraw/zinc/16/72/02/1387167202.db2.gz UQRYPBXYTDUDTN-UHFFFAOYSA-N -1 1 341.411 3.188 20 30 EGEDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2o1 ZINC001338359026 1389651705 /nfs/dbraw/zinc/65/17/05/1389651705.db2.gz PLQZDTWJXFEGGL-UHFFFAOYSA-N -1 1 327.365 3.003 20 30 EGEDMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(Cc1cccs1)C(C)C ZINC001339003039 1389856368 /nfs/dbraw/zinc/85/63/68/1389856368.db2.gz BZDDFDAOWQXNBT-UHFFFAOYSA-N -1 1 344.444 3.036 20 30 EGEDMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c1C ZINC001339878219 1390181382 /nfs/dbraw/zinc/18/13/82/1390181382.db2.gz MQSKMNGCQKAGMZ-UHFFFAOYSA-N -1 1 330.409 3.179 20 30 EGEDMM CCc1c(C([O-])=C(C#N)c2ncc(Cl)n2C)cnn1C(C)(C)C ZINC001345643241 1390871496 /nfs/dbraw/zinc/87/14/96/1390871496.db2.gz OIHMDQUXUPDNSB-JTQLQIEISA-N -1 1 333.823 3.077 20 30 EGEDMM C=C(C)CCC(=O)Nc1cc(C)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001347115991 1391002264 /nfs/dbraw/zinc/00/22/64/1391002264.db2.gz GGXFXWWZDAJUCU-UHFFFAOYSA-N -1 1 328.334 3.468 20 30 EGEDMM C=CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823904292 1428699073 /nfs/dbraw/zinc/69/90/73/1428699073.db2.gz ZVBFQNKPJHSJJM-UHFFFAOYSA-N -1 1 339.786 3.353 20 30 EGEDMM C=CCCCC(=O)N(Cc1ccco1)c1ccccc1-c1nnn[n-]1 ZINC000819734309 1429356675 /nfs/dbraw/zinc/35/66/75/1429356675.db2.gz LLFUGXAXPNLUJA-UHFFFAOYSA-N -1 1 337.383 3.349 20 30 EGEDMM Cc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000822225094 1429389519 /nfs/dbraw/zinc/38/95/19/1429389519.db2.gz OABMJTDIRLUARQ-SNAWJCMRSA-N -1 1 341.352 3.041 20 30 EGEDMM O=C(C=Cc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826399961 1429469233 /nfs/dbraw/zinc/46/92/33/1429469233.db2.gz LJMUFHKZNTWNOX-RJRFIUFISA-N -1 1 348.259 3.319 20 30 EGEDMM CCOc1cccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821426281 1429662600 /nfs/dbraw/zinc/66/26/00/1429662600.db2.gz BAKSKYRVUGFMLR-XNTDXEJSSA-N -1 1 346.390 3.478 20 30 EGEDMM O=C(C=Cc1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000826403025 1424958643 /nfs/dbraw/zinc/95/86/43/1424958643.db2.gz IAXZPDSMLINITJ-AATRIKPKSA-N -1 1 348.334 3.426 20 30 EGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)Cc2c1c(F)ccc2F ZINC000826475513 1425244070 /nfs/dbraw/zinc/24/40/70/1425244070.db2.gz IHWHAUKCHHLQIH-FNORWQNLSA-N -1 1 330.319 3.029 20 30 EGEDMM CC(=NNCc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953666 1425836906 /nfs/dbraw/zinc/83/69/06/1425836906.db2.gz KXGUBNNFIDPWSZ-UHFFFAOYSA-N -1 1 332.820 3.095 20 30 EGEDMM COc1ccc(C=C2CCc3sccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081392 1426346137 /nfs/dbraw/zinc/34/61/37/1426346137.db2.gz CVYKIAUQKGSQGU-DHZHZOJOSA-N -1 1 338.392 3.149 20 30 EGEDMM O=C(C=CC1=Cc2ccccc2OC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399637 1426592855 /nfs/dbraw/zinc/59/28/55/1426592855.db2.gz AYVKSAOOPPPREY-YVMONPNESA-N -1 1 348.337 3.221 20 30 EGEDMM O=C1c2cc(Cl)ccc2OCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826475711 1427492281 /nfs/dbraw/zinc/49/22/81/1427492281.db2.gz OFQAZXOLZQKITR-YRNVUSSQSA-N -1 1 338.754 3.179 20 30 EGEDMM Cc1c(C(=O)C=Cc2ccc(C)c(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737329423 1427560171 /nfs/dbraw/zinc/56/01/71/1427560171.db2.gz LWSAOOPKJKUNQP-CMDGGOBGSA-N -1 1 347.422 3.436 20 30 EGEDMM C=CCCC[C@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823894098 1427570774 /nfs/dbraw/zinc/57/07/74/1427570774.db2.gz HIYVWSOHOVIBSM-JTQLQIEISA-N -1 1 334.811 3.386 20 30 EGEDMM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc(F)c(C#N)c1 ZINC000819746016 1427869370 /nfs/dbraw/zinc/86/93/70/1427869370.db2.gz YGBQFNMLGZXLDX-UHFFFAOYSA-N -1 1 348.385 3.066 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc(F)c(C#N)c1 ZINC000819746016 1427869376 /nfs/dbraw/zinc/86/93/76/1427869376.db2.gz YGBQFNMLGZXLDX-UHFFFAOYSA-N -1 1 348.385 3.066 20 30 EGEDMM N#CCSCCCSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826382136 1427953608 /nfs/dbraw/zinc/95/36/08/1427953608.db2.gz PZRMOJZXHPJIRN-UHFFFAOYSA-N -1 1 325.850 3.259 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(F)cc2C)cc1-c1nnn[n-]1 ZINC000737080863 1427999393 /nfs/dbraw/zinc/99/93/93/1427999393.db2.gz 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1442155325 /nfs/dbraw/zinc/15/53/25/1442155325.db2.gz UXFCFJKFRLCWDI-UHFFFAOYSA-N -1 1 329.448 3.276 20 30 EGEDMM COc1ccc2c(c1)CCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826212322 1442186389 /nfs/dbraw/zinc/18/63/89/1442186389.db2.gz NEEBWOACWHWSDC-UVTDQMKNSA-N -1 1 332.363 3.088 20 30 EGEDMM C#CC[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823838992 1442194305 /nfs/dbraw/zinc/19/43/05/1442194305.db2.gz XWNHERKNPYDINO-OAHLLOKOSA-N -1 1 325.322 3.321 20 30 EGEDMM CC(C)(C#N)c1ccccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000824059012 1442205446 /nfs/dbraw/zinc/20/54/46/1442205446.db2.gz KXUMHDJEDRWTKW-UHFFFAOYSA-N -1 1 337.358 3.386 20 30 EGEDMM O=C1C(=Cc2cc(-c3nnn[n-]3)cs2)COc2ccc(Cl)cc21 ZINC000826475497 1442375025 /nfs/dbraw/zinc/37/50/25/1442375025.db2.gz HYBDWUVDDJTWGB-FPYGCLRLSA-N -1 1 344.783 3.240 20 30 EGEDMM O=C1c2ccc(F)cc2CCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823503395 1443212619 /nfs/dbraw/zinc/21/26/19/1443212619.db2.gz FQOCCAROYRVECG-GHXNOFRVSA-N -1 1 338.317 3.357 20 30 EGEDMM 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EGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1OC(C)C ZINC000447278090 268040920 /nfs/dbraw/zinc/04/09/20/268040920.db2.gz LVCTYADNAUIGPL-UHFFFAOYSA-N -1 1 330.409 3.455 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(Cl)c1 ZINC000182991591 268208296 /nfs/dbraw/zinc/20/82/96/268208296.db2.gz AURKMHLOQUINJB-UHFFFAOYSA-N -1 1 346.717 3.430 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCCC2)c1 ZINC000016130950 453596370 /nfs/dbraw/zinc/59/63/70/453596370.db2.gz VSPIECGNESNNQK-UHFFFAOYSA-N -1 1 341.436 3.349 20 30 EGEDMM C=CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1C ZINC000027768111 453820386 /nfs/dbraw/zinc/82/03/86/453820386.db2.gz QROZONNHSRIATG-UHFFFAOYSA-N -1 1 344.436 3.020 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2cnc3c(cnn3C(C)C)c2)n1 ZINC000041517453 453969879 /nfs/dbraw/zinc/96/98/79/453969879.db2.gz PHZKIRMKMIJKCT-CYBMUJFWSA-N -1 1 325.397 3.267 20 30 EGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(C)c2)n1 ZINC000067895144 453977970 /nfs/dbraw/zinc/97/79/70/453977970.db2.gz 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CCOc1cc(-c2noc(C3(C#N)CCOCC3)n2)cc(Cl)c1[O-] ZINC000289181079 456117711 /nfs/dbraw/zinc/11/77/11/456117711.db2.gz POYFDRQYZKSVIT-UHFFFAOYSA-N -1 1 349.774 3.066 20 30 EGEDMM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000290957804 456478648 /nfs/dbraw/zinc/47/86/48/456478648.db2.gz NYVWQCXGGNRUOX-ZDUSSCGKSA-N -1 1 333.240 3.105 20 30 EGEDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000340881229 456738474 /nfs/dbraw/zinc/73/84/74/456738474.db2.gz BVIMIKBHCCDTJW-UHFFFAOYSA-N -1 1 336.800 3.159 20 30 EGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(COC)cc2)c1 ZINC000340911476 456755669 /nfs/dbraw/zinc/75/56/69/456755669.db2.gz FLENXQKNDZBSKD-UHFFFAOYSA-N -1 1 333.409 3.199 20 30 EGEDMM N#C[C@H](C(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc2ccccc2n1C(F)F ZINC000338954222 456874575 /nfs/dbraw/zinc/87/45/75/456874575.db2.gz NCGQULMBYYYPCF-MRVPVSSYSA-N -1 1 345.265 3.158 20 30 EGEDMM N#C[C@@H](C(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc2ccccc2n1C(F)F ZINC000338954223 456874728 /nfs/dbraw/zinc/87/47/28/456874728.db2.gz NCGQULMBYYYPCF-QMMMGPOBSA-N -1 1 345.265 3.158 20 30 EGEDMM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000341898840 456991562 /nfs/dbraw/zinc/99/15/62/456991562.db2.gz URWAESRWQNTQPV-JTQLQIEISA-N -1 1 330.369 3.427 20 30 EGEDMM CCc1nnc([N-]C(=O)c2nc(C)sc2Br)s1 ZINC000330640675 457065576 /nfs/dbraw/zinc/06/55/76/457065576.db2.gz HTSHMZKWXVSNTQ-UHFFFAOYSA-N -1 1 333.236 3.264 20 30 EGEDMM CC[C@H]([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000342601407 457393062 /nfs/dbraw/zinc/39/30/62/457393062.db2.gz VHRDSOGNTNIZHM-HNNXBMFYSA-N -1 1 336.363 3.266 20 30 EGEDMM COc1cc([N-]S(=O)(=O)c2ccccc2CC#N)ccc1Cl ZINC000355845507 457423643 /nfs/dbraw/zinc/42/36/43/457423643.db2.gz PMCZUBYCAUFUHY-UHFFFAOYSA-N -1 1 336.800 3.215 20 30 EGEDMM N#C[C@H]([N-]S(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000356131516 457474184 /nfs/dbraw/zinc/47/41/84/457474184.db2.gz CJTWKMLRJYJGRG-NSHDSACASA-N -1 1 346.355 3.310 20 30 EGEDMM Cc1cccc(CS(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)c1 ZINC000357460520 457543459 /nfs/dbraw/zinc/54/34/59/457543459.db2.gz RHNUPYJWZOFDDK-UHFFFAOYSA-N -1 1 343.452 3.183 20 30 EGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C#N)c(F)c2)c(C)c1C ZINC000357473278 457549667 /nfs/dbraw/zinc/54/96/67/457549667.db2.gz PVJFEKBGIJVRCK-UHFFFAOYSA-N -1 1 334.372 3.124 20 30 EGEDMM C=CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc2c(s1)CCCC2 ZINC000444459991 457899775 /nfs/dbraw/zinc/89/97/75/457899775.db2.gz IOHUSNWZRSZRGT-UHFFFAOYSA-N -1 1 332.385 3.091 20 30 EGEDMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000532320449 459066486 /nfs/dbraw/zinc/06/64/86/459066486.db2.gz GLYAAIRENKISOW-INIZCTEOSA-N -1 1 348.374 3.111 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(F)c1 ZINC000523533646 459312047 /nfs/dbraw/zinc/31/20/47/459312047.db2.gz XMCYUFIHBLIJGB-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(OCC3CCCCC3)CC2)c1 ZINC000589186795 460046542 /nfs/dbraw/zinc/04/65/42/460046542.db2.gz DSORLNCMUQOVLK-UHFFFAOYSA-N -1 1 342.439 3.465 20 30 EGEDMM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614293488 460082793 /nfs/dbraw/zinc/08/27/93/460082793.db2.gz KEPZPDMKBWWZNO-UHFFFAOYSA-N -1 1 332.363 3.319 20 30 EGEDMM CN(Cc1ccc(Br)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614293402 460083160 /nfs/dbraw/zinc/08/31/60/460083160.db2.gz NNGIRDLCZFXLOF-UHFFFAOYSA-N -1 1 345.196 3.299 20 30 EGEDMM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614365847 460114081 /nfs/dbraw/zinc/11/40/81/460114081.db2.gz VFTFUXRZXKTKQH-UHFFFAOYSA-N -1 1 346.346 3.407 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 ZINC000614365767 460114922 /nfs/dbraw/zinc/11/49/22/460114922.db2.gz DSCQSMFQALLPIT-MSOLQXFVSA-N -1 1 340.354 3.053 20 30 EGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000619461405 460362033 /nfs/dbraw/zinc/36/20/33/460362033.db2.gz XTUDBHBUFXBSJF-UHFFFAOYSA-N -1 1 336.800 3.215 20 30 EGEDMM CC(C)OCc1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000619462234 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/nfs/dbraw/zinc/06/74/91/1380067491.db2.gz XHWRGFVNFWRTEM-UHFFFAOYSA-N -1 1 346.268 3.183 20 30 EGEDMM COc1ccc2sc(C(=O)Nc3ccc([O-])c(C#N)c3)nc2c1 ZINC001155714522 1380486269 /nfs/dbraw/zinc/48/62/69/1380486269.db2.gz PJXSEFHLLFGJEF-UHFFFAOYSA-N -1 1 325.349 3.134 20 30 EGEDMM N#Cc1cnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c(F)c1 ZINC001155914738 1380505127 /nfs/dbraw/zinc/50/51/27/1380505127.db2.gz XIIBCVFMFWOTON-UHFFFAOYSA-N -1 1 340.236 3.239 20 30 EGEDMM COc1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1F ZINC001163765324 1383119897 /nfs/dbraw/zinc/11/98/97/1383119897.db2.gz CLUVADOAOLGUQN-UHFFFAOYSA-N -1 1 345.252 3.376 20 30 EGEDMM CC(=NNc1cncc(Br)c1)c1ccc(CC(=O)[O-])cc1 ZINC001335896376 1388962630 /nfs/dbraw/zinc/96/26/30/1388962630.db2.gz DLVYDTAWLZTZBS-UHFFFAOYSA-N -1 1 348.200 3.307 20 30 EGEDMM CC(C)Oc1ccc(C#N)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001351540457 1391650267 /nfs/dbraw/zinc/65/02/67/1391650267.db2.gz JPCKOHHPNCHRNR-UHFFFAOYSA-N -1 1 347.374 3.439 20 30 EGEDMM C=CCCC[C@@H](C)NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000823894553 1426455448 /nfs/dbraw/zinc/45/54/48/1426455448.db2.gz SWLZNMXCKUIFHI-GFCCVEGCSA-N -1 1 345.451 3.290 20 30 EGEDMM Brc1ccccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000823832536 1428424025 /nfs/dbraw/zinc/42/40/25/1428424025.db2.gz QHFYHNCDGPCEOT-UHFFFAOYSA-N -1 1 343.188 3.075 20 30 EGEDMM Brc1ccccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000819688312 1423699276 /nfs/dbraw/zinc/69/92/76/1423699276.db2.gz GIFBGUHUGOKQCL-UHFFFAOYSA-N -1 1 349.217 3.137 20 30 EGEDMM C[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486743 1424398774 /nfs/dbraw/zinc/39/87/74/1424398774.db2.gz CPSKRNIPTDPQBT-OCHBPSSRSA-N -1 1 345.362 3.056 20 30 EGEDMM C[C@H]1CCC[C@H](CCSc2nc(N)c(C#N)cc2-c2nnn[n-]2)C1 ZINC000820697684 1426121926 /nfs/dbraw/zinc/12/19/26/1426121926.db2.gz KJGHIWGUAHHNDQ-WDEREUQCSA-N -1 1 343.460 3.024 20 30 EGEDMM Cc1ccc(C)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000823953649 1426192611 /nfs/dbraw/zinc/19/26/11/1426192611.db2.gz 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1427274404 /nfs/dbraw/zinc/27/44/04/1427274404.db2.gz WCEUJZVXXMDHBM-UHFFFAOYSA-N -1 1 349.757 3.217 20 30 EGEDMM Clc1cnc(N=NCc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822590711 1427570823 /nfs/dbraw/zinc/57/08/23/1427570823.db2.gz NHJAOXNBMZNGMF-UHFFFAOYSA-N -1 1 340.199 3.076 20 30 EGEDMM Clc1cnc(NN=Cc2ccc(-c3nn[n-]n3)s2)c(Cl)c1 ZINC000822590711 1427570826 /nfs/dbraw/zinc/57/08/26/1427570826.db2.gz NHJAOXNBMZNGMF-UHFFFAOYSA-N -1 1 340.199 3.076 20 30 EGEDMM Clc1cnc(NN=Cc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822590711 1427570833 /nfs/dbraw/zinc/57/08/33/1427570833.db2.gz NHJAOXNBMZNGMF-UHFFFAOYSA-N -1 1 340.199 3.076 20 30 EGEDMM C[C@@H]1C[C@H]1c1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)o1 ZINC000824897831 1427599070 /nfs/dbraw/zinc/59/90/70/1427599070.db2.gz BNOIHFHNJVRNGV-LDYMZIIASA-N -1 1 343.778 3.078 20 30 EGEDMM C[C@@H]1C[C@H]1c1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000824897831 1427599075 /nfs/dbraw/zinc/59/90/75/1427599075.db2.gz BNOIHFHNJVRNGV-LDYMZIIASA-N -1 1 343.778 3.078 20 30 EGEDMM C[C@@H]1C[C@H]1c1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)o1 ZINC000824897831 1427599080 /nfs/dbraw/zinc/59/90/80/1427599080.db2.gz BNOIHFHNJVRNGV-LDYMZIIASA-N -1 1 343.778 3.078 20 30 EGEDMM CC(C)(C#N)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824058936 1427933529 /nfs/dbraw/zinc/93/35/29/1427933529.db2.gz JTXJVKYQTOQHIW-UHFFFAOYSA-N -1 1 347.378 3.240 20 30 EGEDMM CCCn1c2ccc(C#N)cc2nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825353446 1428009144 /nfs/dbraw/zinc/00/91/44/1428009144.db2.gz XFYJJZYMCKLSEY-UHFFFAOYSA-N -1 1 329.367 3.165 20 30 EGEDMM N#Cc1cc(CN(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1F ZINC000822819188 1429783053 /nfs/dbraw/zinc/78/30/53/1429783053.db2.gz MHPNHIPTYFHINK-UHFFFAOYSA-N -1 1 348.385 3.042 20 30 EGEDMM N#Cc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1F ZINC000822819188 1429783056 /nfs/dbraw/zinc/78/30/56/1429783056.db2.gz MHPNHIPTYFHINK-UHFFFAOYSA-N -1 1 348.385 3.042 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H]2C[C@H]2c2ccccc2)o1 ZINC000824352440 1429858010 /nfs/dbraw/zinc/85/80/10/1429858010.db2.gz DGDPARVFQNFPCB-STQMWFEESA-N -1 1 337.387 3.180 20 30 EGEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737113325 1441746280 /nfs/dbraw/zinc/74/62/80/1441746280.db2.gz BXUHZYCSAXIURV-GDNBJRDFSA-N -1 1 332.363 3.088 20 30 EGEDMM CC(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962593 1441941311 /nfs/dbraw/zinc/94/13/11/1441941311.db2.gz LTPYVXALMRMBGN-UHFFFAOYSA-N -1 1 341.425 3.374 20 30 EGEDMM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cccc2ncccc21 ZINC000822739676 1441953484 /nfs/dbraw/zinc/95/34/84/1441953484.db2.gz BLDGJDFCUUWWNK-UHFFFAOYSA-N -1 1 333.330 3.000 20 30 EGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000819773949 1442455261 /nfs/dbraw/zinc/45/52/61/1442455261.db2.gz XWKSXQXSHZBTPR-UHFFFAOYSA-N -1 1 326.791 3.034 20 30 EGEDMM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821823697 1443294523 /nfs/dbraw/zinc/29/45/23/1443294523.db2.gz AOMDYYBZBSWVNT-HWKANZROSA-N -1 1 346.799 3.486 20 30 EGEDMM CCOc1ccc(C=N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c(O)c1 ZINC000821417798 1443640355 /nfs/dbraw/zinc/64/03/55/1443640355.db2.gz RYWABVYQWXTIKO-MKFNJMOCSA-N -1 1 337.383 3.151 20 30 EGEDMM Clc1ccccc1NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822589927 1443648803 /nfs/dbraw/zinc/64/88/03/1443648803.db2.gz DOYXCDOHFAWKRE-UHFFFAOYSA-N -1 1 337.774 3.447 20 30 EGEDMM CCCCCCCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736448884 1443676902 /nfs/dbraw/zinc/67/69/02/1443676902.db2.gz PQWNIFQTIQMXML-UHFFFAOYSA-N -1 1 326.404 3.427 20 30 EGEDMM COc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000826210294 1443830427 /nfs/dbraw/zinc/83/04/27/1443830427.db2.gz LTDAZPRXXISYFS-UHFFFAOYSA-N -1 1 334.792 3.036 20 30 EGEDMM CCCCCCCCn1cc(-c2nnn[n-]2)c(=O)c2nc(C)ccc21 ZINC000825271582 1443953224 /nfs/dbraw/zinc/95/32/24/1443953224.db2.gz LFEOYOABOGIYKQ-UHFFFAOYSA-N -1 1 340.431 3.246 20 30 EGEDMM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826190393 1446500412 /nfs/dbraw/zinc/50/04/12/1446500412.db2.gz ZQTIFHUEAAMSKJ-SNAWJCMRSA-N -1 1 326.381 3.141 20 30 EGEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000825639453 1446535646 /nfs/dbraw/zinc/53/56/46/1446535646.db2.gz WJJINMFWSMYAMP-YVMONPNESA-N -1 1 326.381 3.223 20 30 EGEDMM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)CC(C)(C)C ZINC000735974924 1446849605 /nfs/dbraw/zinc/84/96/05/1446849605.db2.gz DPDWGNUFLLGNDC-NSHDSACASA-N -1 1 326.404 3.139 20 30 EGEDMM C=C[C@@H](CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882838 1447208585 /nfs/dbraw/zinc/20/85/85/1447208585.db2.gz DTUPZJJGESKMQG-LBPRGKRZSA-N -1 1 337.358 3.304 20 30 EGEDMM CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC1 ZINC000824342271 1447268849 /nfs/dbraw/zinc/26/88/49/1447268849.db2.gz OIVXHZNVVKKJGG-JOCQHMNTSA-N -1 1 338.415 3.139 20 30 EGEDMM C=CCOc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000819759214 1447284588 /nfs/dbraw/zinc/28/45/88/1447284588.db2.gz QCRAFXMTWREHMO-UHFFFAOYSA-N -1 1 326.331 3.150 20 30 EGEDMM C=CCO[C@@H]1CCN(Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001334769081 961815381 /nfs/dbraw/zinc/81/53/81/961815381.db2.gz TWBCYMCGCQGQJA-CYBMUJFWSA-N -1 1 329.318 3.181 20 30 EGEDMM CC[C@@](NCc1cc(C#N)cnc1Cl)(C(=O)[O-])c1ccccc1 ZINC001595298555 980419192 /nfs/dbraw/zinc/41/91/92/980419192.db2.gz OXLURUXZVCWBJE-KRWDZBQOSA-N -1 1 329.787 3.086 20 30 EGEDMM C=CCSc1ccccc1NC(=O)C[N@H+](C)C(C)(C)CC(=O)[O-] ZINC001588879712 984458331 /nfs/dbraw/zinc/45/83/31/984458331.db2.gz KKUPBJYVDAQUSZ-UHFFFAOYSA-N -1 1 336.457 3.088 20 30 EGEDMM C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001593698585 996165530 /nfs/dbraw/zinc/16/55/30/996165530.db2.gz FRRIOGZNUSBQAQ-LLVKDONJSA-N -1 1 342.317 3.337 20 30 EGEDMM C[C@H]1CC(=NNc2cc(C(=O)[O-])ccc2Br)c2nccn21 ZINC001594196270 998760398 /nfs/dbraw/zinc/76/03/98/998760398.db2.gz HTMUKSRJXOPXLZ-QMMMGPOBSA-N -1 1 349.188 3.125 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(OCCC(C)C)cc2)c(=O)o1 ZINC000105639368 204151590 /nfs/dbraw/zinc/15/15/90/204151590.db2.gz LFRBXEMUIZPQHJ-WMHRWZGDSA-N -1 1 342.391 3.340 20 30 EGEDMM N#Cc1ccc(F)c(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000121346042 152344915 /nfs/dbraw/zinc/34/49/15/152344915.db2.gz BQJBGTIGOZHKMB-UHFFFAOYSA-N -1 1 349.159 3.095 20 30 EGEDMM N#Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cc1[O-] ZINC000188342702 153011072 /nfs/dbraw/zinc/01/10/72/153011072.db2.gz YTNWJHZPQCBQMW-KRWDZBQOSA-N -1 1 342.782 3.131 20 30 EGEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)c1 ZINC000194766507 153357055 /nfs/dbraw/zinc/35/70/55/153357055.db2.gz PGCMAVUVQIATLN-UHFFFAOYSA-N -1 1 328.393 3.260 20 30 EGEDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(C#N)cc1 ZINC000345382436 156078729 /nfs/dbraw/zinc/07/87/29/156078729.db2.gz VAAVAYTZWNIZIU-VIFPVBQESA-N -1 1 340.326 3.015 20 30 EGEDMM N#Cc1cccc(-n2ccc(C(=O)Nc3ccc(Cl)cc3[O-])n2)c1 ZINC000336957661 163092978 /nfs/dbraw/zinc/09/29/78/163092978.db2.gz AFWYSOJZDISSCP-UHFFFAOYSA-N -1 1 338.754 3.355 20 30 EGEDMM Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000179025776 267289887 /nfs/dbraw/zinc/28/98/87/267289887.db2.gz VEVMJMFLFWGANK-UHFFFAOYSA-N -1 1 341.367 3.355 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[O-] ZINC000442790436 268205178 /nfs/dbraw/zinc/20/51/78/268205178.db2.gz GKKVTAMBVBGGKL-FUHWJXTLSA-N -1 1 340.354 3.053 20 30 EGEDMM CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1[O-] ZINC000059894490 454263377 /nfs/dbraw/zinc/26/33/77/454263377.db2.gz RMNQMHHYYGTBCX-UHFFFAOYSA-N -1 1 345.196 3.299 20 30 EGEDMM Cc1cccc(C2(C[N-]S(=O)(=O)c3ccc(C#N)o3)CCCC2)c1 ZINC000553481694 315265845 /nfs/dbraw/zinc/26/58/45/315265845.db2.gz UACBRSRSRIKOIJ-UHFFFAOYSA-N -1 1 344.436 3.250 20 30 EGEDMM N#Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000181662040 323494905 /nfs/dbraw/zinc/49/49/05/323494905.db2.gz MBQOAXNSYRYXCT-UHFFFAOYSA-N -1 1 338.335 3.003 20 30 EGEDMM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000316367616 456613829 /nfs/dbraw/zinc/61/38/29/456613829.db2.gz URGGAVFLXJJKSN-UHFFFAOYSA-N -1 1 327.258 3.273 20 30 EGEDMM C=C(C)CN(C)C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000355647982 457396670 /nfs/dbraw/zinc/39/66/70/457396670.db2.gz IWRDMPHFURBKCR-UHFFFAOYSA-N -1 1 335.201 3.351 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(F)c1 ZINC000158004409 455258920 /nfs/dbraw/zinc/25/89/20/455258920.db2.gz GXGNBYGRMWBTGG-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccc(OC(F)F)cc1 ZINC000190072163 455277167 /nfs/dbraw/zinc/27/71/67/455277167.db2.gz VGPOKIGVRKHOJV-JTQLQIEISA-N -1 1 332.306 3.356 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(N3CCCC3=O)c2)n1 ZINC000041518661 453970280 /nfs/dbraw/zinc/97/02/80/453970280.db2.gz JUGICHXJGBJNIO-AWEZNQCLSA-N -1 1 325.393 3.068 20 30 EGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(Cl)cc2)n1 ZINC000067895610 453978330 /nfs/dbraw/zinc/97/83/30/453978330.db2.gz YVXHZRNDWVKPAS-LLVKDONJSA-N -1 1 334.784 3.463 20 30 EGEDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3)ccc2O1 ZINC000084649898 454003240 /nfs/dbraw/zinc/00/32/40/454003240.db2.gz DBBOVUCMCWXNLT-UHFFFAOYSA-N -1 1 328.393 3.073 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1Cl ZINC000076839225 454042023 /nfs/dbraw/zinc/04/20/23/454042023.db2.gz PYPQUEUANKQRCH-UHFFFAOYSA-N -1 1 335.747 3.023 20 30 EGEDMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000088547249 454111738 /nfs/dbraw/zinc/11/17/38/454111738.db2.gz XFODUCWGBACNLB-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000058297701 454181972 /nfs/dbraw/zinc/18/19/72/454181972.db2.gz POUSBZIAVLQYTP-UHFFFAOYSA-N -1 1 342.174 3.234 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Cl)c1 ZINC000169253850 454929585 /nfs/dbraw/zinc/92/95/85/454929585.db2.gz VLSVTYSOHPWLDI-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000178190957 454941917 /nfs/dbraw/zinc/94/19/17/454941917.db2.gz AWKWBTWIXPAMHU-UHFFFAOYSA-N -1 1 338.392 3.058 20 30 EGEDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)c1 ZINC000192704578 455673776 /nfs/dbraw/zinc/67/37/76/455673776.db2.gz FOGFGGSIPSGFJI-UHFFFAOYSA-N -1 1 334.784 3.215 20 30 EGEDMM C=C(C)[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)c1ccc(F)c(F)c1 ZINC000186146401 455702761 /nfs/dbraw/zinc/70/27/61/455702761.db2.gz ZVNZJMYXJGHHFO-CQSZACIVSA-N -1 1 342.367 3.165 20 30 EGEDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CC#N)c1 ZINC000193360730 455754532 /nfs/dbraw/zinc/75/45/32/455754532.db2.gz KEXGTCVDVAMNQA-UHFFFAOYSA-N -1 1 328.393 3.146 20 30 EGEDMM C=C(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000194025460 455792976 /nfs/dbraw/zinc/79/29/76/455792976.db2.gz DRGKZTUPPCLZHS-AWEZNQCLSA-N -1 1 349.293 3.021 20 30 EGEDMM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188727161 456123020 /nfs/dbraw/zinc/12/30/20/456123020.db2.gz SEKVRTMDPMOZPZ-KRWDZBQOSA-N -1 1 335.407 3.135 20 30 EGEDMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000281477241 456245060 /nfs/dbraw/zinc/24/50/60/456245060.db2.gz PQEKSEOTTUBWNT-ZBEGNZNMSA-N -1 1 339.819 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EGEDMM [O-]N=C(Nc1cccc(Cl)[n+]1[O-])c1ccc(OC(F)(F)F)cc1 ZINC001155909449 1380504529 /nfs/dbraw/zinc/50/45/29/1380504529.db2.gz NVLUMLCWMTVRBU-UHFFFAOYSA-N -1 1 347.680 3.120 20 30 EGEDMM Cc1nc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)ncc1F ZINC001155908986 1380504718 /nfs/dbraw/zinc/50/47/18/1380504718.db2.gz FFHMVDAQTCTBDU-UHFFFAOYSA-N -1 1 330.241 3.071 20 30 EGEDMM N#Cc1ccc(NC(=O)c2cnc3cc(C(F)(F)F)ccn32)c([O-])c1 ZINC001156587675 1380597357 /nfs/dbraw/zinc/59/73/57/1380597357.db2.gz MFMATDNEESCQPU-UHFFFAOYSA-N -1 1 346.268 3.183 20 30 EGEDMM N#Cc1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cs1 ZINC001161198376 1382337222 /nfs/dbraw/zinc/33/72/22/1382337222.db2.gz SNMRSFCFVIIYHZ-UHFFFAOYSA-N -1 1 345.771 3.016 20 30 EGEDMM N#Cc1cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cs1 ZINC001161198376 1382337226 /nfs/dbraw/zinc/33/72/26/1382337226.db2.gz SNMRSFCFVIIYHZ-UHFFFAOYSA-N -1 1 345.771 3.016 20 30 EGEDMM Cc1noc([N-]c2ccc(S(C)(=O)=O)cc2C(F)(F)F)c1C#N ZINC001176403652 1385577784 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EGEDMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N(CC)Cc1cccs1 ZINC001343715414 1390732876 /nfs/dbraw/zinc/73/28/76/1390732876.db2.gz VRGJSBGLXUHLMN-UHFFFAOYSA-N -1 1 344.444 3.038 20 30 EGEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cc(Cl)cc(Cl)c1 ZINC001344595225 1390802146 /nfs/dbraw/zinc/80/21/46/1390802146.db2.gz IQLLSKGTOOJYNH-ZRMMWKCHSA-N -1 1 348.189 3.332 20 30 EGEDMM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cc(C2CC2)n(C(C)(C)C)n1 ZINC001344864980 1390820329 /nfs/dbraw/zinc/82/03/29/1390820329.db2.gz WRCYAYXGVXSIIG-NSHDSACASA-N -1 1 345.834 3.392 20 30 EGEDMM C=C(C)Cn1c(-c2cc(Cl)ncc2[O-])nnc1N1CC=CCC1 ZINC001346571532 1390956341 /nfs/dbraw/zinc/95/63/41/1390956341.db2.gz ILVRPLNPAMZBDO-UHFFFAOYSA-N -1 1 331.807 3.042 20 30 EGEDMM C#CCCCOC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735375758 1428280032 /nfs/dbraw/zinc/28/00/32/1428280032.db2.gz RMTVFAADAPLURV-UHFFFAOYSA-N -1 1 347.378 3.181 20 30 EGEDMM C[C@@H](OC(=O)C=Cc1ccccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820486736 1428347749 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Cc1ccc(OC(F)F)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822258663 1425275894 /nfs/dbraw/zinc/27/58/94/1425275894.db2.gz ADIMBFHFQSOUHQ-UHFFFAOYSA-N -1 1 344.325 3.223 20 30 EGEDMM N#Cc1ccc(F)c(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822829679 1425322926 /nfs/dbraw/zinc/32/29/26/1425322926.db2.gz DFXOTEGVYROSNB-UHFFFAOYSA-N -1 1 328.738 3.143 20 30 EGEDMM COc1ccc(C=CC(=O)c2cc(C)ccc2F)cc1-c1nnn[n-]1 ZINC000826190990 1426365842 /nfs/dbraw/zinc/36/58/42/1426365842.db2.gz SXPLRZKMVJILOJ-DAXSKMNVSA-N -1 1 338.342 3.219 20 30 EGEDMM C[C@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824537321 1426505654 /nfs/dbraw/zinc/50/56/54/1426505654.db2.gz DEZIJOQTYMNIQN-LBPRGKRZSA-N -1 1 348.385 3.217 20 30 EGEDMM O=C1c2ccc(F)cc2OCCC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826476052 1426517974 /nfs/dbraw/zinc/51/79/74/1426517974.db2.gz ZTVVIHFZTBLPGB-WQLSENKSSA-N -1 1 336.326 3.055 20 30 EGEDMM CC(CCC(F)(F)F)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000824400655 1426987659 /nfs/dbraw/zinc/98/76/59/1426987659.db2.gz 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332.363 3.192 20 30 EGEDMM Cc1c(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cnn1C1CCCC1 ZINC001342559580 1390626587 /nfs/dbraw/zinc/62/65/87/1390626587.db2.gz VMLKJRDZJYFQRW-CQSZACIVSA-N -1 1 348.410 3.376 20 30 EGEDMM CC(C)Cn1ncc(C([O-])=C(C#N)c2ncc(Cl)n2C)c1C1CC1 ZINC001344864424 1390820090 /nfs/dbraw/zinc/82/00/90/1390820090.db2.gz ROIXTHNELQZCRU-GFCCVEGCSA-N -1 1 345.834 3.293 20 30 EGEDMM CCn1ccnc1C(C#N)=C([O-])c1cc2sc(N(C)C)nc2s1 ZINC001346096175 1390907347 /nfs/dbraw/zinc/90/73/47/1390907347.db2.gz NXWIVMCPJYIZLE-VIFPVBQESA-N -1 1 345.453 3.130 20 30 EGEDMM C=C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882665 1428350816 /nfs/dbraw/zinc/35/08/16/1428350816.db2.gz BJDXCSKFVGEJLU-CYBMUJFWSA-N -1 1 344.378 3.037 20 30 EGEDMM Cc1ccc(C=CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000822233605 1428697612 /nfs/dbraw/zinc/69/76/12/1428697612.db2.gz RWGYEJMOJWBMAO-IHWYPQMZSA-N -1 1 344.378 3.089 20 30 EGEDMM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000825639463 1428774833 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CCc1nc(C)c(C(C)=NNc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736699664 1424752063 /nfs/dbraw/zinc/75/20/63/1424752063.db2.gz OJNDCDYUYVTCFF-UHFFFAOYSA-N -1 1 327.417 3.030 20 30 EGEDMM COc1ccc(CSCCCC(C)(C)C#N)cc1-c1nnn[n-]1 ZINC000826207201 1426458930 /nfs/dbraw/zinc/45/89/30/1426458930.db2.gz DWOADCRHTOAYAI-UHFFFAOYSA-N -1 1 331.445 3.438 20 30 EGEDMM C=CCCCCCN(C)C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000735409250 1428044341 /nfs/dbraw/zinc/04/43/41/1428044341.db2.gz WPQFKTHGBVCGNK-UHFFFAOYSA-N -1 1 330.461 3.242 20 30 EGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cccnc1Cl ZINC000823504501 1428164699 /nfs/dbraw/zinc/16/46/99/1428164699.db2.gz QYBCADWIFMZHTH-PKNBQFBNSA-N -1 1 337.770 3.128 20 30 EGEDMM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736228701 1429830528 /nfs/dbraw/zinc/83/05/28/1429830528.db2.gz JCOSUXJEIGUISZ-ZPBHHCQCSA-N -1 1 336.326 3.095 20 30 EGEDMM CC(C)CO[C@H]1CC(N=Nc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000735839410 1441432984 /nfs/dbraw/zinc/43/29/84/1441432984.db2.gz SZTISEVWMQKDMH-HNNXBMFYSA-N -1 1 328.420 3.106 20 30 EGEDMM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000824364467 1441934009 /nfs/dbraw/zinc/93/40/09/1441934009.db2.gz IAUNCLYSLYJOAB-XQRVVYSFSA-N -1 1 343.387 3.482 20 30 EGEDMM C=CCOc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000819758870 1442114398 /nfs/dbraw/zinc/11/43/98/1442114398.db2.gz IQQQGJODFCUPGQ-UHFFFAOYSA-N -1 1 339.311 3.132 20 30 EGEDMM Cc1cc(C#N)cc(C)c1OCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000822162089 1442446585 /nfs/dbraw/zinc/44/65/85/1442446585.db2.gz YDPBDYZZFKIRPE-UHFFFAOYSA-N -1 1 349.394 3.203 20 30 EGEDMM Cc1ccc(F)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826289471 1442470006 /nfs/dbraw/zinc/47/00/06/1442470006.db2.gz BNIWKGQVNVEEGI-DAXSKMNVSA-N -1 1 326.306 3.349 20 30 EGEDMM C(=NN=C1c2ccccc2-c2ccccc21)c1ccc(-c2nnn[n-]2)o1 ZINC000819718681 1443563936 /nfs/dbraw/zinc/56/39/36/1443563936.db2.gz NHSAELPYRZLBAP-UHFFFAOYSA-N -1 1 340.346 3.312 20 30 EGEDMM COc1ccc(C=CC(=O)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000821787587 1443664602 /nfs/dbraw/zinc/66/46/02/1443664602.db2.gz VNAJEQCVHKZFGG-KXFIGUGUSA-N -1 1 342.305 3.050 20 30 EGEDMM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000824364466 1443761863 /nfs/dbraw/zinc/76/18/63/1443761863.db2.gz IAUNCLYSLYJOAB-GQCTYLIASA-N -1 1 343.387 3.482 20 30 EGEDMM C=CC[C@H](C)[C@H](C)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823888003 1446277739 /nfs/dbraw/zinc/27/77/39/1446277739.db2.gz CUNOCXSJWUUPTH-RYUDHWBXSA-N -1 1 344.419 3.448 20 30 EGEDMM COc1ccc(C=CC(=O)c2cc(F)ccc2F)cc1-c1nnn[n-]1 ZINC000821787589 1446297320 /nfs/dbraw/zinc/29/73/20/1446297320.db2.gz VNAJEQCVHKZFGG-QHHAFSJGSA-N -1 1 342.305 3.050 20 30 EGEDMM N#Cc1ccc(Cl)cc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC000822826419 1446430881 /nfs/dbraw/zinc/43/08/81/1446430881.db2.gz XDLOMMXOVBNUHP-UHFFFAOYSA-N -1 1 333.138 3.232 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000819743753 1446494854 /nfs/dbraw/zinc/49/48/54/1446494854.db2.gz PRHMKHFSOYXHTM-GJZGRUSLSA-N -1 1 339.443 3.208 20 30 EGEDMM N#Cc1ccc(SCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC000737722182 1446545092 /nfs/dbraw/zinc/54/50/92/1446545092.db2.gz FGJQGIASRPRDRJ-UHFFFAOYSA-N -1 1 329.335 3.309 20 30 EGEDMM Cc1c(Cl)cnc(N[C@@H](C)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000826238790 1446703825 /nfs/dbraw/zinc/70/38/25/1446703825.db2.gz PKHNOBMCNMDSNW-JTQLQIEISA-N -1 1 339.790 3.268 20 30 EGEDMM Cc1cc(F)ccc1C=CC(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826268606 1447303990 /nfs/dbraw/zinc/30/39/90/1447303990.db2.gz FOYZJGLZRFSONH-DAXSKMNVSA-N -1 1 326.306 3.349 20 30 EGEDMM C=CCCC[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)n1)c1ccccc1 ZINC001573334450 947454570 /nfs/dbraw/zinc/45/45/70/947454570.db2.gz DACALWZDZKAKGS-HNNXBMFYSA-N -1 1 348.410 3.340 20 30 EGEDMM C=CCCC[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)n1)c1ccccc1 ZINC001573334450 947454573 /nfs/dbraw/zinc/45/45/73/947454573.db2.gz DACALWZDZKAKGS-HNNXBMFYSA-N -1 1 348.410 3.340 20 30 EGEDMM N#Cc1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001594616564 956241641 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C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c1 ZINC000055555592 201134044 /nfs/dbraw/zinc/13/40/44/201134044.db2.gz MSZPGBARFWSALP-UHFFFAOYSA-N -1 1 344.436 3.020 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1Cl ZINC000168594808 143994338 /nfs/dbraw/zinc/99/43/38/143994338.db2.gz UYQFQUGFSQLCDE-UHFFFAOYSA-N -1 1 328.727 3.291 20 30 EGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000172252960 144018555 /nfs/dbraw/zinc/01/85/55/144018555.db2.gz XYMYVGDPSVUVRJ-UHFFFAOYSA-N -1 1 338.392 3.058 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000119777751 152228277 /nfs/dbraw/zinc/22/82/77/152228277.db2.gz OZUXJVORKZPFAA-UHFFFAOYSA-N -1 1 325.349 3.014 20 30 EGEDMM Cc1ccc(C#N)cc1NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000352643684 156395748 /nfs/dbraw/zinc/39/57/48/156395748.db2.gz BROBHNUIYLBZPV-UHFFFAOYSA-N -1 1 339.301 3.239 20 30 EGEDMM Cc1ccc(-c2cc(=NC(=O)[C@@H](C)c3cccc(C#N)c3)[nH][n-]2)s1 ZINC000462025878 270054831 /nfs/dbraw/zinc/05/48/31/270054831.db2.gz 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EGEDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000684534855 550340532 /nfs/dbraw/zinc/34/05/32/550340532.db2.gz YSIBIHFTSYYFBE-UHFFFAOYSA-N -1 1 328.393 3.146 20 30 EGEDMM CC(C)CC[C@@H]1CCCC1=NN=C1[N-]S(=O)(=O)c2ccccc21 ZINC000727255707 574655953 /nfs/dbraw/zinc/65/59/53/574655953.db2.gz MQXYKDNOGHNQBF-ZDUSSCGKSA-N -1 1 333.457 3.317 20 30 EGEDMM CC(N=Nc1ncc(F)cn1)c1cc(Br)c(F)cc1[O-] ZINC000760264422 574978902 /nfs/dbraw/zinc/97/89/02/574978902.db2.gz BKIJCRGQEPZLCA-UHFFFAOYSA-N -1 1 343.131 3.059 20 30 EGEDMM C#Cc1cccc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1 ZINC000736064763 575894794 /nfs/dbraw/zinc/89/47/94/575894794.db2.gz ZNVDNAZHZCAJAQ-NSHDSACASA-N -1 1 347.823 3.446 20 30 EGEDMM CC(C)c1ccc(CN=Nc2ccc(C(=O)[O-])cn2)cc1[N+](=O)[O-] ZINC000763370238 604666882 /nfs/dbraw/zinc/66/68/82/604666882.db2.gz OGGANMLVONUMRX-UHFFFAOYSA-N -1 1 328.328 3.257 20 30 EGEDMM CC(=NNc1ccccc1C(=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000748582603 605097835 /nfs/dbraw/zinc/09/78/35/605097835.db2.gz 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EGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(C)c2)n1 ZINC000067895146 453978220 /nfs/dbraw/zinc/97/82/20/453978220.db2.gz JSMSQUXLDJIEEO-CYBMUJFWSA-N -1 1 328.393 3.427 20 30 EGEDMM COc1ccc([N-]C(=O)c2c(F)cc(C#N)cc2F)c([N+](=O)[O-])c1 ZINC000153859537 454840789 /nfs/dbraw/zinc/84/07/89/454840789.db2.gz KXOVRDQMRZOMSW-UHFFFAOYSA-N -1 1 333.250 3.006 20 30 EGEDMM CC(C)c1csc(C(C#N)=C([O-])c2ccc3c(c2)nnn3C)n1 ZINC000177774168 454903463 /nfs/dbraw/zinc/90/34/63/454903463.db2.gz POBWKVTXRRCKKM-NSHDSACASA-N -1 1 325.397 3.038 20 30 EGEDMM N#CCCn1cc(/C=C/C(=O)Nc2ccncc2[O-])c2ccccc21 ZINC000155744850 455039427 /nfs/dbraw/zinc/03/94/27/455039427.db2.gz IHYWTOWKSMLNFZ-VOTSOKGWSA-N -1 1 332.363 3.307 20 30 EGEDMM C=CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C)cc2)n[n-]c1=S ZINC000116863172 455074162 /nfs/dbraw/zinc/07/41/62/455074162.db2.gz LVEWMFGTOYFHNK-CYBMUJFWSA-N -1 1 330.457 3.387 20 30 EGEDMM CCCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C#N)n[nH]1 ZINC000159958300 455418531 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/nfs/dbraw/zinc/25/02/98/1446250298.db2.gz QGKXMUJHNTVTKJ-INIZCTEOSA-N -1 1 346.394 3.061 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000824352437 1446956354 /nfs/dbraw/zinc/95/63/54/1446956354.db2.gz DGDPARVFQNFPCB-CHWSQXEVSA-N -1 1 337.387 3.180 20 30 EGEDMM Cc1cccc(C)c1CN=Nc1oc(CC(C)C)nc1-c1nnn[n-]1 ZINC000826296816 1447016501 /nfs/dbraw/zinc/01/65/01/1447016501.db2.gz JVMPJMJQHVNDNP-UHFFFAOYSA-N -1 1 339.403 3.116 20 30 EGEDMM CCC(=NNc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCCO2 ZINC000825029625 1447016938 /nfs/dbraw/zinc/01/69/38/1447016938.db2.gz XTSOVKNISIVHEM-UHFFFAOYSA-N -1 1 348.410 3.418 20 30 EGEDMM Cc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)cc2c1 ZINC000737373431 1447026936 /nfs/dbraw/zinc/02/69/36/1447026936.db2.gz HGKPJLPUWWTPPI-UHFFFAOYSA-N -1 1 344.334 3.045 20 30 EGEDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1ccc(C#N)cc1Br ZINC001573711003 959850169 /nfs/dbraw/zinc/85/01/69/959850169.db2.gz JJXBNWBNMCXDBT-MFKMUULPSA-N -1 1 337.217 3.006 20 30 EGEDMM 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C[C@@H]1CCC[C@](C#N)(NC(=O)c2cc(Br)ccc2[O-])C1 ZINC000436726830 458368610 /nfs/dbraw/zinc/36/86/10/458368610.db2.gz WIXDFFZJIBXXTG-BMIGLBTASA-N -1 1 337.217 3.357 20 30 EGEDMM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000437495874 458457495 /nfs/dbraw/zinc/45/74/95/458457495.db2.gz KAEBOTQASPLLNQ-IINYFYTJSA-N -1 1 329.318 3.122 20 30 EGEDMM CC(C)(C)c1cccc(OCCNC(=O)c2ccc(C#N)c([O-])c2)c1 ZINC000442964617 459067318 /nfs/dbraw/zinc/06/73/18/459067318.db2.gz HBMPBVROHDMBDB-UHFFFAOYSA-N -1 1 338.407 3.370 20 30 EGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000536669775 459361255 /nfs/dbraw/zinc/36/12/55/459361255.db2.gz DTGKPBJGQQNEJK-UHFFFAOYSA-N -1 1 345.420 3.377 20 30 EGEDMM CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2C#N)[n-]c(=O)c1C ZINC000569001823 459380669 /nfs/dbraw/zinc/38/06/69/459380669.db2.gz LZUKLTTXFHLMOT-NSHDSACASA-N -1 1 342.424 3.044 20 30 EGEDMM C=CCC(=C([O-])Nc1nc(-c2cccnc2)ns1)c1ccccc1 ZINC000489656404 459568993 /nfs/dbraw/zinc/56/89/93/459568993.db2.gz 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C=CCN(Cc1ccccc1F)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819745448 1446295721 /nfs/dbraw/zinc/29/57/21/1446295721.db2.gz DHSYDDXXHMLJAV-UHFFFAOYSA-N -1 1 341.365 3.333 20 30 EGEDMM C=CCSCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000819759412 1447141205 /nfs/dbraw/zinc/14/12/05/1447141205.db2.gz WZZAMBUIPTYGLY-UHFFFAOYSA-N -1 1 329.351 3.217 20 30 EGEDMM CCc1cc(NN=Cc2cccc(C(=O)[O-])c2)nc(-c2ccccn2)n1 ZINC000814841424 978891612 /nfs/dbraw/zinc/89/16/12/978891612.db2.gz BSRCYWBMAQZLAV-UHFFFAOYSA-N -1 1 347.378 3.245 20 30 EGEDMM CSc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1C#N ZINC001599813376 988377395 /nfs/dbraw/zinc/37/73/95/988377395.db2.gz RGVUTKIYPAOVJV-UHFFFAOYSA-N -1 1 330.384 3.407 20 30 EGEDMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1 ZINC000032591144 201071688 /nfs/dbraw/zinc/07/16/88/201071688.db2.gz ISRCJBUTGHZVHE-UHFFFAOYSA-N -1 1 341.367 3.241 20 30 EGEDMM C=CCCCNC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000279211322 201315914 /nfs/dbraw/zinc/31/59/14/201315914.db2.gz MKQDBBBXJCXDMS-UHFFFAOYSA-N 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/nfs/dbraw/zinc/14/32/51/267143251.db2.gz MWBLGAWTHLTJPW-UHFFFAOYSA-N -1 1 334.372 3.035 20 30 EGEDMM Cc1ccc(-c2nc(CCNC(=O)c3ccc(C#N)c([O-])c3)co2)cc1 ZINC000188408381 267369577 /nfs/dbraw/zinc/36/95/77/267369577.db2.gz MRNRDFJCBLPBAJ-UHFFFAOYSA-N -1 1 347.374 3.200 20 30 EGEDMM N#Cc1ccc(C(=O)NCCOc2cccc3ccccc32)cc1[O-] ZINC000190778739 268034986 /nfs/dbraw/zinc/03/49/86/268034986.db2.gz YJHCKLMPHBZPJN-UHFFFAOYSA-N -1 1 332.359 3.226 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000331240061 268205236 /nfs/dbraw/zinc/20/52/36/268205236.db2.gz WNFBPJLXNUUUFO-RKDXNWHRSA-N -1 1 338.376 3.019 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c(Cl)c1 ZINC000508067620 268255200 /nfs/dbraw/zinc/25/52/00/268255200.db2.gz KKXXRSRKMPUCKT-UHFFFAOYSA-N -1 1 348.802 3.458 20 30 EGEDMM CCC(CC)(C[N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000571948618 317269999 /nfs/dbraw/zinc/26/99/99/317269999.db2.gz VOLQFTIJRLVAEA-UHFFFAOYSA-N -1 1 332.425 3.188 20 30 EGEDMM 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1429376521 /nfs/dbraw/zinc/37/65/21/1429376521.db2.gz YVSFXLAEHNPZLM-XQRVVYSFSA-N -1 1 340.408 3.450 20 30 EGEDMM Fc1cc(-c2nnn[n-]2)ccc1OCC#Cc1ccc(Cl)cc1 ZINC000822748143 1424045008 /nfs/dbraw/zinc/04/50/08/1424045008.db2.gz KDFFOKZQQQIWPE-UHFFFAOYSA-N -1 1 328.734 3.090 20 30 EGEDMM N#CCC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826381318 1425529649 /nfs/dbraw/zinc/52/96/49/1425529649.db2.gz HBBCQRLKSLGHFT-JTQLQIEISA-N -1 1 345.819 3.434 20 30 EGEDMM N#Cc1ccc(F)cc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822829658 1426580935 /nfs/dbraw/zinc/58/09/35/1426580935.db2.gz CERCCUCRPIBGAG-UHFFFAOYSA-N -1 1 329.722 3.110 20 30 EGEDMM C=CCN(Cc1cnc(CC)s1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914297 1426703888 /nfs/dbraw/zinc/70/38/88/1426703888.db2.gz DWIKVXRQFRABBC-UHFFFAOYSA-N -1 1 340.456 3.074 20 30 EGEDMM COc1ccc2c(c1)C(=O)C(=Cc1ccccc1-c1nnn[n-]1)CC2 ZINC000826211928 1426904663 /nfs/dbraw/zinc/90/46/63/1426904663.db2.gz ALDUJOLKUSECPQ-GXDHUFHOSA-N -1 1 332.363 3.088 20 30 EGEDMM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737098228 1427092420 /nfs/dbraw/zinc/09/24/20/1427092420.db2.gz RKYSVJJMUWQWCG-YWEYNIOJSA-N -1 1 340.770 3.425 20 30 EGEDMM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000737809924 1427271943 /nfs/dbraw/zinc/27/19/43/1427271943.db2.gz VRDYATZHCVGJSK-MDZDMXLPSA-N -1 1 327.347 3.311 20 30 EGEDMM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737718818 1427444790 /nfs/dbraw/zinc/44/47/90/1427444790.db2.gz PMUVHLZWZIDBCT-UHFFFAOYSA-N -1 1 344.300 3.369 20 30 EGEDMM COc1cc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)ccc1F ZINC000826177194 1427489189 /nfs/dbraw/zinc/48/91/89/1427489189.db2.gz WCCZJHMEWHMPHA-CLTKARDFSA-N -1 1 342.305 3.050 20 30 EGEDMM COc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000826187378 1427513733 /nfs/dbraw/zinc/51/37/33/1427513733.db2.gz NPAHEDDHIWJMCX-XVNBXDOJSA-N -1 1 342.305 3.050 20 30 EGEDMM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451136 1427641668 /nfs/dbraw/zinc/64/16/68/1427641668.db2.gz 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/nfs/dbraw/zinc/96/18/19/1429961819.db2.gz JTNZHKYEDWFQTB-UHFFFAOYSA-N -1 1 342.447 3.027 20 30 EGEDMM CC(C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000820173974 1442263102 /nfs/dbraw/zinc/26/31/02/1442263102.db2.gz OCPRJKILANRICC-UHFFFAOYSA-N -1 1 334.383 3.138 20 30 EGEDMM O=C1c2ccc(Cl)cc2CC1=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823503374 1443376375 /nfs/dbraw/zinc/37/63/75/1443376375.db2.gz FBSVOXYRDNWPDB-WEVVVXLNSA-N -1 1 328.784 3.404 20 30 EGEDMM Cc1cc2ccccc2nc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826272932 1446196752 /nfs/dbraw/zinc/19/67/52/1446196752.db2.gz HOOYZNQJUGYYMO-UHFFFAOYSA-N -1 1 329.367 3.169 20 30 EGEDMM CC(N=Nc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)s1 ZINC000823958580 1446366391 /nfs/dbraw/zinc/36/63/91/1446366391.db2.gz RIHSCDXTUCLYTA-UHFFFAOYSA-N -1 1 338.318 3.182 20 30 EGEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2ccc(Cl)cc21 ZINC000826475553 948374956 /nfs/dbraw/zinc/37/49/56/948374956.db2.gz JRTARELMGCGKBR-VMPITWQZSA-N -1 1 344.783 3.240 20 30 EGEDMM 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AOARFGJDHWIZQQ-UHFFFAOYSA-N -1 1 348.402 3.307 20 30 EGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000439248741 267354787 /nfs/dbraw/zinc/35/47/87/267354787.db2.gz QBDRLRFYRYCHCJ-UHFFFAOYSA-N -1 1 341.436 3.280 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)ccc1C#N ZINC000435752305 268017675 /nfs/dbraw/zinc/01/76/75/268017675.db2.gz JUXFHIILFPXPCE-UHFFFAOYSA-N -1 1 339.420 3.469 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)cc1[O-] ZINC000188369985 268035618 /nfs/dbraw/zinc/03/56/18/268035618.db2.gz BFFOSEFTLOMRQL-MJGOQNOKSA-N -1 1 336.391 3.162 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(Cl)c1 ZINC000183053263 275210131 /nfs/dbraw/zinc/21/01/31/275210131.db2.gz TZYDATIWXNAFGR-UHFFFAOYSA-N -1 1 346.717 3.430 20 30 EGEDMM CC(C)c1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553869012 315285787 /nfs/dbraw/zinc/28/57/87/315285787.db2.gz INDCICJQSAPNNY-ZDUSSCGKSA-N -1 1 332.425 3.184 20 30 EGEDMM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCCC(C)C)c(F)c1 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C[C@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(=O)c1cccc(F)c1 ZINC000073028567 454384055 /nfs/dbraw/zinc/38/40/55/454384055.db2.gz ILKYSNLDQHQIPN-SSDOTTSWSA-N -1 1 344.268 3.460 20 30 EGEDMM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000097176431 454420312 /nfs/dbraw/zinc/42/03/12/454420312.db2.gz AAGWCZVBERJZGP-UHFFFAOYSA-N -1 1 332.257 3.408 20 30 EGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1SCCc2ccccc21 ZINC000079700710 454466082 /nfs/dbraw/zinc/46/60/82/454466082.db2.gz ZDAUCLCUQQSKLU-VIFPVBQESA-N -1 1 328.319 3.442 20 30 EGEDMM O=C(CCCOCCc1ccccc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000051266535 454615135 /nfs/dbraw/zinc/61/51/35/454615135.db2.gz GPMIGEMOHGERCY-UHFFFAOYSA-N -1 1 342.321 3.451 20 30 EGEDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2O1 ZINC000135571034 454690907 /nfs/dbraw/zinc/69/09/07/454690907.db2.gz JQLNECFIYZISTD-KRWDZBQOSA-N -1 1 344.392 3.256 20 30 EGEDMM [O-]c1c(O)ccc(/C=N/c2ccc(OCC3CCOCC3)cc2)c1O ZINC000265522036 455337528 /nfs/dbraw/zinc/33/75/28/455337528.db2.gz PCRXAEJPBNXMPW-RGVLZGJSSA-N -1 1 343.379 3.359 20 30 EGEDMM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000174255969 455373963 /nfs/dbraw/zinc/37/39/63/455373963.db2.gz JPUNAYVOQHRWEY-UHFFFAOYSA-N -1 1 345.424 3.190 20 30 EGEDMM CC(=O)Nc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1C ZINC000190897354 455400415 /nfs/dbraw/zinc/40/04/15/455400415.db2.gz QQTSTIVRJRKLNK-HNNXBMFYSA-N -1 1 344.374 3.387 20 30 EGEDMM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C)cc(Br)c1[O-] ZINC000280223063 455921323 /nfs/dbraw/zinc/92/13/23/455921323.db2.gz LJYRRZQETREUHV-QMTHXVAHSA-N -1 1 340.217 3.383 20 30 EGEDMM N#CC1(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)CCCCC1 ZINC000332610093 456098564 /nfs/dbraw/zinc/09/85/64/456098564.db2.gz BQUMXWXTCKGNFO-UHFFFAOYSA-N -1 1 330.338 3.189 20 30 EGEDMM N#Cc1ccc(C(=O)N(Cc2ccco2)Cc2cccnc2)cc1[O-] ZINC000188730913 456122225 /nfs/dbraw/zinc/12/22/25/456122225.db2.gz IJQAYTLMYZZJPR-UHFFFAOYSA-N -1 1 333.347 3.094 20 30 EGEDMM N#Cc1ccccc1CSCCNC(=O)c1c(F)ccc([O-])c1F ZINC000347665115 456290710 /nfs/dbraw/zinc/29/07/10/456290710.db2.gz BEVLZRJNKNCOKE-UHFFFAOYSA-N -1 1 348.374 3.205 20 30 EGEDMM C[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000299431388 456690973 /nfs/dbraw/zinc/69/09/73/456690973.db2.gz DKOLNJIATKQTBQ-ZCFIWIBFSA-N -1 1 327.620 3.227 20 30 EGEDMM C=CCCC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000338690210 456853077 /nfs/dbraw/zinc/85/30/77/456853077.db2.gz UILZPLNUUQSZKI-UHFFFAOYSA-N -1 1 344.436 3.070 20 30 EGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccccc2COC)c1 ZINC000351829773 457318698 /nfs/dbraw/zinc/31/86/98/457318698.db2.gz OYQFEFYXWHBFGM-UHFFFAOYSA-N -1 1 333.409 3.199 20 30 EGEDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(C#N)cc1F)c1cccs1 ZINC000342591822 457386399 /nfs/dbraw/zinc/38/63/99/457386399.db2.gz DHIWLPAROHMWCO-UHFFFAOYSA-N -1 1 342.392 3.112 20 30 EGEDMM CSCc1ccccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000355825889 457421727 /nfs/dbraw/zinc/42/17/27/457421727.db2.gz BDQCANBDBYVVCW-UHFFFAOYSA-N -1 1 332.450 3.416 20 30 EGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 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CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(C)ccc1O ZINC000823958347 1423596195 /nfs/dbraw/zinc/59/61/95/1423596195.db2.gz KLSDVUYFTOVZOP-UHFFFAOYSA-N -1 1 342.790 3.370 20 30 EGEDMM O=C(C=Cc1ccnc2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737804236 1424577095 /nfs/dbraw/zinc/57/70/95/1424577095.db2.gz AEPLFJDWBQNELQ-KTKRTIGZSA-N -1 1 327.347 3.311 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC(C)Cc2cccc(F)c2)o1 ZINC000820300579 1424746571 /nfs/dbraw/zinc/74/65/71/1424746571.db2.gz RBJXWKHBWOUBFB-UHFFFAOYSA-N -1 1 343.366 3.148 20 30 EGEDMM CCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825653420 1425021093 /nfs/dbraw/zinc/02/10/93/1425021093.db2.gz CHQDPKVZDRBNIP-BQYQJAHWSA-N -1 1 326.381 3.223 20 30 EGEDMM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(F)c(Cl)c1 ZINC000819773154 1425750085 /nfs/dbraw/zinc/75/00/85/1425750085.db2.gz PWXIGLJBHAEWGC-UHFFFAOYSA-N -1 1 344.781 3.173 20 30 EGEDMM Cc1ccc2c(c1)OCCCC2=NNc1ccc(-c2nnn[n-]2)cc1 ZINC000822279560 1425780014 /nfs/dbraw/zinc/78/00/14/1425780014.db2.gz 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EGEDMM CC(C)Cc1nc(-c2nnn[n-]2)c(N=NC[C@H]2CCC[C@@H](C)C2)o1 ZINC000824280815 1429466759 /nfs/dbraw/zinc/46/67/59/1429466759.db2.gz VLEMLTQVJVLGBY-NEPJUHHUSA-N -1 1 331.424 3.277 20 30 EGEDMM FC(F)(F)c1ccc(C#CCOc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000822723611 1423472182 /nfs/dbraw/zinc/47/21/82/1423472182.db2.gz HTRWAVLIYVSAJH-UHFFFAOYSA-N -1 1 344.296 3.316 20 30 EGEDMM C[C@H](N=Cc1cc2ccccc2[nH]c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820308908 1424444997 /nfs/dbraw/zinc/44/49/97/1424444997.db2.gz ZKZZMBAZJILPJN-OEKFUPINSA-N -1 1 344.378 3.301 20 30 EGEDMM Cc1cc(C)c(-c2nnn[n-]2)c(S[C@@H](C#N)C2CCCCC2)n1 ZINC000737240243 1425049962 /nfs/dbraw/zinc/04/99/62/1425049962.db2.gz ITJKRJHPQMIMFO-ZDUSSCGKSA-N -1 1 328.445 3.443 20 30 EGEDMM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403320 1425466177 /nfs/dbraw/zinc/46/61/77/1425466177.db2.gz OVPVJDDWJQZMNQ-BQYQJAHWSA-N -1 1 345.337 3.450 20 30 EGEDMM CCCCC[C@@H](CC)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825268419 1425915644 /nfs/dbraw/zinc/91/56/44/1425915644.db2.gz UVOAEFAHPPFUPL-GFCCVEGCSA-N -1 1 326.404 3.283 20 30 EGEDMM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cnn(-c2ccccc2)c1 ZINC000822924081 1426369933 /nfs/dbraw/zinc/36/99/33/1426369933.db2.gz WSDCXZPXUBIEMR-VOTSOKGWSA-N -1 1 348.391 3.010 20 30 EGEDMM CCSc1ccccc1C(C)N=Nc1oc(C)nc1-c1nnn[n-]1 ZINC000821461593 1426634420 /nfs/dbraw/zinc/63/44/20/1426634420.db2.gz QYPKQXVDFOQOQG-UHFFFAOYSA-N -1 1 343.416 3.111 20 30 EGEDMM CC[C@H](CC1CCCC1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736350130 1426647820 /nfs/dbraw/zinc/64/78/20/1426647820.db2.gz LUERFCMNVSFCCN-CYBMUJFWSA-N -1 1 338.415 3.283 20 30 EGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(C)C(C)(C)c2ccc(F)cc2)o1 ZINC000735451237 1426669320 /nfs/dbraw/zinc/66/93/20/1426669320.db2.gz VMYJAXBZUBYQIP-UHFFFAOYSA-N -1 1 343.366 3.068 20 30 EGEDMM C[C@@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000736153711 1426724392 /nfs/dbraw/zinc/72/43/92/1426724392.db2.gz RZBXEACHMIBAAB-WTNCMQEWSA-N -1 1 345.362 3.056 20 30 EGEDMM COc1ccc(C=C2CCc3ccc(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000826190546 1426755579 /nfs/dbraw/zinc/75/55/79/1426755579.db2.gz FLYWIWOIPHYSOC-GDNBJRDFSA-N -1 1 346.390 3.396 20 30 EGEDMM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736228699 1426971373 /nfs/dbraw/zinc/97/13/73/1426971373.db2.gz JCOSUXJEIGUISZ-RILYUOAZSA-N -1 1 336.326 3.095 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737082505 1427345364 /nfs/dbraw/zinc/34/53/64/1427345364.db2.gz WJSGUMQJPHSJDW-KRXBUXKQSA-N -1 1 340.770 3.425 20 30 EGEDMM CCOc1cccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821426314 1427537256 /nfs/dbraw/zinc/53/72/56/1427537256.db2.gz BZMXXJREYXUQMM-HJWRWDBZSA-N -1 1 338.342 3.301 20 30 EGEDMM COc1ccc(C=C2CCc3sccc3C2=O)cc1-c1nnn[n-]1 ZINC000737081395 1427974876 /nfs/dbraw/zinc/97/48/76/1427974876.db2.gz CVYKIAUQKGSQGU-FLIBITNWSA-N -1 1 338.392 3.149 20 30 EGEDMM O=C(C=Cc1ccc(F)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400906 1430149876 /nfs/dbraw/zinc/14/98/76/1430149876.db2.gz KUYNXBPHJCEFJG-KXFIGUGUSA-N -1 1 330.269 3.180 20 30 EGEDMM N#Cc1c(Cl)cccc1SCc1ccnc(-c2nnn[n-]2)c1 ZINC000826383096 1441781184 /nfs/dbraw/zinc/78/11/84/1441781184.db2.gz KBSKKVMPAQKRBU-UHFFFAOYSA-N -1 1 328.788 3.079 20 30 EGEDMM CC(Cc1ccsc1)N=Nc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736066205 1441890820 /nfs/dbraw/zinc/89/08/20/1441890820.db2.gz LQTXGQQZAIQTJG-UHFFFAOYSA-N -1 1 331.405 3.070 20 30 EGEDMM CCOc1ccc(C=N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c(O)c1 ZINC000821417800 1442165027 /nfs/dbraw/zinc/16/50/27/1442165027.db2.gz RYWABVYQWXTIKO-ZDFPAGSVSA-N -1 1 337.383 3.151 20 30 EGEDMM Cc1c(C(=O)C=Cc2cc(C)cc(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737251987 1443182215 /nfs/dbraw/zinc/18/22/15/1443182215.db2.gz GPKJVMSZKPAMMK-SREVYHEPSA-N -1 1 347.422 3.436 20 30 EGEDMM N#Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000822832991 1443788500 /nfs/dbraw/zinc/78/85/00/1443788500.db2.gz LRFZQFMJEWKXQR-UHFFFAOYSA-N -1 1 328.738 3.143 20 30 EGEDMM Fc1ccc(NCC#Cc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000822779224 1446112332 /nfs/dbraw/zinc/11/23/32/1446112332.db2.gz RNRWITAIMGGMFG-UHFFFAOYSA-N -1 1 327.750 3.123 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)C1CCCC1 ZINC000819743587 1446114534 /nfs/dbraw/zinc/11/45/34/1446114534.db2.gz MREVEZKWQIEVPY-AWEZNQCLSA-N -1 1 339.443 3.208 20 30 EGEDMM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CSc2ccccc21 ZINC000823504243 1446447681 /nfs/dbraw/zinc/44/76/81/1446447681.db2.gz NLQAPYVFFDJIJO-UITAMQMPSA-N -1 1 326.406 3.300 20 30 EGEDMM COc1ccc(C)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821782507 1446536445 /nfs/dbraw/zinc/53/64/45/1446536445.db2.gz GLPQNHUCWBXNFQ-GQCTYLIASA-N -1 1 326.381 3.141 20 30 EGEDMM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826403613 1446656903 /nfs/dbraw/zinc/65/69/03/1446656903.db2.gz XDNCIPSFAITBHJ-YVMONPNESA-N -1 1 343.437 3.160 20 30 EGEDMM CC(C)(CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000735663939 1446997144 /nfs/dbraw/zinc/99/71/44/1446997144.db2.gz AACCRDVKTBSFSF-UHFFFAOYSA-N -1 1 346.394 3.045 20 30 EGEDMM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cccc1[N+](=O)[O-] ZINC000822016222 1447156815 /nfs/dbraw/zinc/15/68/15/1447156815.db2.gz WJTBOFIJHYQTRA-FNORWQNLSA-N -1 1 341.352 3.041 20 30 EGEDMM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccc(Cl)cc1 ZINC000826185037 1447342717 /nfs/dbraw/zinc/34/27/17/1447342717.db2.gz WJQXVIRNIWNSEG-UHFFFAOYSA-N -1 1 343.774 3.079 20 30 EGEDMM N#CCOc1ccc(Cl)cc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC001594609520 956193261 /nfs/dbraw/zinc/19/32/61/956193261.db2.gz CGJQRITZBCRXLP-CYBMUJFWSA-N -1 1 336.819 3.319 20 30 EGEDMM COCCCOc1cccc(CN=Nc2ccccc2C(=O)[O-])c1 ZINC000746488658 978685796 /nfs/dbraw/zinc/68/57/96/978685796.db2.gz JPCCDKBJQHCTCW-UHFFFAOYSA-N -1 1 328.368 3.246 20 30 EGEDMM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1cnn(CC2CCC2)c1 ZINC001593190880 994128922 /nfs/dbraw/zinc/12/89/22/994128922.db2.gz YAIRPTZTRCYQKK-UGSOOPFHSA-N -1 1 338.411 3.031 20 30 EGEDMM COc1ccc(C2CC2)cc1CN[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC001599539346 997805936 /nfs/dbraw/zinc/80/59/36/997805936.db2.gz SRRGZLROYSEHBF-IBGZPJMESA-N -1 1 336.391 3.360 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000171955862 144013487 /nfs/dbraw/zinc/01/34/87/144013487.db2.gz MBUJISCJEMCUIT-UHFFFAOYSA-N -1 1 328.393 3.148 20 30 EGEDMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccc21 ZINC000344715874 144213612 /nfs/dbraw/zinc/21/36/12/144213612.db2.gz PCFDMZLTWNYDMB-CYBMUJFWSA-N -1 1 344.436 3.285 20 30 EGEDMM N#Cc1ccccc1OCc1ccc(C(=O)Nc2ccncc2[O-])o1 ZINC000109889705 162114192 /nfs/dbraw/zinc/11/41/92/162114192.db2.gz ZLMTTZSSCJXQCN-UHFFFAOYSA-N -1 1 335.319 3.083 20 30 EGEDMM CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)c2O1 ZINC000195504985 266185498 /nfs/dbraw/zinc/18/54/98/266185498.db2.gz MJXQLZBCQMCWMO-UHFFFAOYSA-N -1 1 346.383 3.212 20 30 EGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000172589579 267312344 /nfs/dbraw/zinc/31/23/44/267312344.db2.gz BDWGNLGQDMARCZ-UHFFFAOYSA-N -1 1 338.335 3.269 20 30 EGEDMM N#Cc1ccc(C(=O)NCC2(c3ccccc3Cl)CC2)cc1[O-] ZINC000189070883 268032885 /nfs/dbraw/zinc/03/28/85/268032885.db2.gz YVQCWCFQJUBVOA-UHFFFAOYSA-N -1 1 326.783 3.379 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1C(F)(F)F ZINC000134604772 307690771 /nfs/dbraw/zinc/69/07/71/307690771.db2.gz CHFQSCGIVACOCJ-UHFFFAOYSA-N -1 1 342.298 3.083 20 30 EGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1n[nH]c2c1CCCCC2 ZINC000190776292 455381033 /nfs/dbraw/zinc/38/10/33/455381033.db2.gz KVIGFVOARPIAKJ-CYBMUJFWSA-N -1 1 333.395 3.055 20 30 EGEDMM N#CCc1cccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000045059905 454136312 /nfs/dbraw/zinc/13/63/12/454136312.db2.gz VVHMBRILBJMAIW-UHFFFAOYSA-N -1 1 348.402 3.193 20 30 EGEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2ccc(Br)o2)c1 ZINC000100871157 454468004 /nfs/dbraw/zinc/46/80/04/454468004.db2.gz IYSYIJVISBZHRY-LLVKDONJSA-N -1 1 347.168 3.312 20 30 EGEDMM CCCn1nc(C)c(C([O-])=C(C#N)c2nc3ccccc3n2C)c1C ZINC000134118058 454504972 /nfs/dbraw/zinc/50/49/72/454504972.db2.gz XJXJDLZPDPYHEU-AWEZNQCLSA-N -1 1 335.411 3.287 20 30 EGEDMM Cn1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)c(C(C)(C)C)n1 ZINC000092313912 454550221 /nfs/dbraw/zinc/55/02/21/454550221.db2.gz POQZHMBIVHBVLO-LBPRGKRZSA-N -1 1 335.411 3.094 20 30 EGEDMM COc1cc(C(=O)N[C@H](C#N)c2ccccc2F)cc(Cl)c1[O-] ZINC000135053389 454628683 /nfs/dbraw/zinc/62/86/83/454628683.db2.gz MJCOPZFWQZPBJF-CYBMUJFWSA-N -1 1 334.734 3.188 20 30 EGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(CC)c1 ZINC000125274204 454809625 /nfs/dbraw/zinc/80/96/25/454809625.db2.gz CRKOBOMUEGKYAF-UHFFFAOYSA-N -1 1 329.425 3.353 20 30 EGEDMM N#CC(=C([O-])c1ccc2c(c1)OCO2)c1nc(-c2ccncc2)cs1 ZINC000114620336 454964217 /nfs/dbraw/zinc/96/42/17/454964217.db2.gz IAVMPRDZOMLERD-ZDUSSCGKSA-N -1 1 349.371 3.424 20 30 EGEDMM C=C(C)CN(C)C(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000183050162 455217165 /nfs/dbraw/zinc/21/71/65/455217165.db2.gz VNKZYNJMNOBNKH-UHFFFAOYSA-N -1 1 344.436 3.136 20 30 EGEDMM COc1ccccc1[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccco1 ZINC000188692694 456115223 /nfs/dbraw/zinc/11/52/23/456115223.db2.gz FJGWILOUGLVJSY-IBGZPJMESA-N -1 1 348.358 3.385 20 30 EGEDMM N#C[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CCCCC1 ZINC000231411554 456141819 /nfs/dbraw/zinc/14/18/19/456141819.db2.gz PPIADYBBUZXSMX-ZDUSSCGKSA-N -1 1 337.217 3.357 20 30 EGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000303283406 456456186 /nfs/dbraw/zinc/45/61/86/456456186.db2.gz MRIIKQXJNMOAHW-CYBMUJFWSA-N -1 1 345.420 3.376 20 30 EGEDMM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339138692 456959333 /nfs/dbraw/zinc/95/93/33/456959333.db2.gz YZXMZXZJTQQVNG-GFCCVEGCSA-N -1 1 348.362 3.060 20 30 EGEDMM C=C(C)Cn1c(C)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000359231839 457066934 /nfs/dbraw/zinc/06/69/34/457066934.db2.gz OHOBKLULECVIKF-WBMJQRKESA-N -1 1 334.851 3.426 20 30 EGEDMM N#Cc1ccc(C(=O)N2CC[C@@](F)(c3cc(F)cc(F)c3)C2)cc1[O-] ZINC000357102627 457323988 /nfs/dbraw/zinc/32/39/88/457323988.db2.gz QTDVRUBHCHUGRM-SFHVURJKSA-N -1 1 346.308 3.253 20 30 EGEDMM 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/nfs/dbraw/zinc/14/75/99/1425147599.db2.gz LEKGGLPBZSYLLS-BQYQJAHWSA-N -1 1 334.379 3.388 20 30 EGEDMM O=C1C(=Cc2cc(-c3nn[n-]n3)cs2)CCc2cc(F)ccc21 ZINC000823498233 1425337344 /nfs/dbraw/zinc/33/73/44/1425337344.db2.gz ICLSMWRHHFWCCN-POHAHGRESA-N -1 1 326.356 3.280 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000737081205 1426679288 /nfs/dbraw/zinc/67/92/88/1426679288.db2.gz LSBTUNKDQXKXPI-VMPITWQZSA-N -1 1 334.379 3.388 20 30 EGEDMM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)s1 ZINC000826400700 1426701839 /nfs/dbraw/zinc/70/18/39/1426701839.db2.gz FOLDTDMWCHILJW-AATRIKPKSA-N -1 1 348.391 3.010 20 30 EGEDMM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821164512 1426985392 /nfs/dbraw/zinc/98/53/92/1426985392.db2.gz FQENUXHYBZAYCL-CSKARUKUSA-N -1 1 339.424 3.280 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000826190790 1427144312 /nfs/dbraw/zinc/14/43/12/1427144312.db2.gz NNRKAHPCBUWEMB-HWKANZROSA-N -1 1 346.799 3.486 20 30 EGEDMM CC[C@@H]1C[C@@H](CN=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825181726 1427553383 /nfs/dbraw/zinc/55/33/83/1427553383.db2.gz FXCPHJWYLJGDBO-CMPLNLGQSA-N -1 1 334.811 3.123 20 30 EGEDMM CC[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736333519 1427949888 /nfs/dbraw/zinc/94/98/88/1427949888.db2.gz RTOGHMGWIQLMNY-ZDUSSCGKSA-N -1 1 346.394 3.261 20 30 EGEDMM CC(C)(C#N)CCSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000819891773 1441552111 /nfs/dbraw/zinc/55/21/11/1441552111.db2.gz GWFNDIKGRGDKLA-UHFFFAOYSA-N -1 1 328.445 3.172 20 30 EGEDMM CCC(=NNc1cccc(-c2nnn[n-]2)c1)c1cc(C)ccc1OC ZINC000825029696 1441773911 /nfs/dbraw/zinc/77/39/11/1441773911.db2.gz YKBYHFDBWNRVKK-UHFFFAOYSA-N -1 1 336.399 3.410 20 30 EGEDMM C#CC[C@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC000823838529 1442454245 /nfs/dbraw/zinc/45/42/45/1442454245.db2.gz QWUJKRUKYFQUFT-AWEZNQCLSA-N -1 1 338.802 3.400 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cscc1C ZINC000819745679 1443183508 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CCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000825653422 1446602347 /nfs/dbraw/zinc/60/23/47/1446602347.db2.gz CHQDPKVZDRBNIP-FPLPWBNLSA-N -1 1 326.381 3.223 20 30 EGEDMM CC(=NNc1cc(C)ccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958374 1447276779 /nfs/dbraw/zinc/27/67/79/1447276779.db2.gz LSSXKQKUCAFCER-UHFFFAOYSA-N -1 1 328.326 3.289 20 30 EGEDMM CC(C)Cc1nc(-c2nn[n-]n2)c(N=NC[C@H]2CCCC[C@@H]2C)o1 ZINC000824280638 946644969 /nfs/dbraw/zinc/64/49/69/946644969.db2.gz RQEJOTFDMHRLFA-NWDGAFQWSA-N -1 1 331.424 3.277 20 30 EGEDMM Cc1cc(C=NNc2ccccc2C(=O)[O-])c(C)n1C[C@H]1CCCO1 ZINC000812445215 978869847 /nfs/dbraw/zinc/86/98/47/978869847.db2.gz NBEIDJNDGLJPBE-MRXNPFEDSA-N -1 1 341.411 3.428 20 30 EGEDMM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000006177779 210596909 /nfs/dbraw/zinc/59/69/09/210596909.db2.gz VZSZCAHHXJKKFP-UHFFFAOYSA-N -1 1 344.436 3.020 20 30 EGEDMM N#Cc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1F ZINC000436197194 270051577 /nfs/dbraw/zinc/05/15/77/270051577.db2.gz JSRVVRMOQMGZKI-UHFFFAOYSA-N -1 1 345.399 3.367 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)ccc1C#N ZINC000435755756 268017634 /nfs/dbraw/zinc/01/76/34/268017634.db2.gz MIDQSAYPAXCZED-UHFFFAOYSA-N -1 1 345.380 3.193 20 30 EGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000531883320 268030474 /nfs/dbraw/zinc/03/04/74/268030474.db2.gz GCALRWMOSWGZAQ-UHFFFAOYSA-N -1 1 344.440 3.438 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccnc2)cc1[O-] ZINC000188441905 268044870 /nfs/dbraw/zinc/04/48/70/268044870.db2.gz QWSIPSDWIYFMIU-LJQANCHMSA-N -1 1 329.359 3.178 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)C2CCC2)o1 ZINC000286870938 268206084 /nfs/dbraw/zinc/20/60/84/268206084.db2.gz MGPDYQGXXNWEMT-INIZCTEOSA-N -1 1 334.372 3.110 20 30 EGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000552028868 315189998 /nfs/dbraw/zinc/18/99/98/315189998.db2.gz HTXIHONYQPYRJC-UHFFFAOYSA-N -1 1 345.424 3.026 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC000553855989 315285406 /nfs/dbraw/zinc/28/54/06/315285406.db2.gz NCQRZLFBKQYSFD-LSDHHAIUSA-N -1 1 330.409 3.156 20 30 EGEDMM Cc1[nH]nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000264495349 455224317 /nfs/dbraw/zinc/22/43/17/455224317.db2.gz UHGVNDLHRQPMCE-VIFPVBQESA-N -1 1 345.384 3.130 20 30 EGEDMM CSc1c(F)cc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F ZINC000181752175 455378658 /nfs/dbraw/zinc/37/86/58/455378658.db2.gz BMGGDWJMGYEYEL-UHFFFAOYSA-N -1 1 340.376 3.359 20 30 EGEDMM CN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)ccc1[O-] ZINC000032615291 453879963 /nfs/dbraw/zinc/87/99/63/453879963.db2.gz PCVAZXDTTFTAMI-UHFFFAOYSA-N -1 1 345.196 3.299 20 30 EGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(C)c(OC)c2)n1 ZINC000067896187 453978456 /nfs/dbraw/zinc/97/84/56/453978456.db2.gz JDAFXARNBPTVGR-GFCCVEGCSA-N -1 1 344.392 3.127 20 30 EGEDMM N#Cc1csc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000084383087 453986531 /nfs/dbraw/zinc/98/65/31/453986531.db2.gz GGYGQNAWPQOOSW-UHFFFAOYSA-N -1 1 340.404 3.060 20 30 EGEDMM O=C(Cc1ccc(-n2cccc2)cc1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000078562047 454276786 /nfs/dbraw/zinc/27/67/86/454276786.db2.gz CVALRLRRBFDLTG-UHFFFAOYSA-N -1 1 335.289 3.445 20 30 EGEDMM C=CCOc1ccccc1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000111029650 454855625 /nfs/dbraw/zinc/85/56/25/454855625.db2.gz TXDGPXVZDWNVPZ-UHFFFAOYSA-N -1 1 334.375 3.023 20 30 EGEDMM Cc1ccc(Br)cc1CNC(=O)c1ccc(C#N)c([O-])c1 ZINC000189269660 455166379 /nfs/dbraw/zinc/16/63/79/455166379.db2.gz DYLVNJRXJVLCHP-UHFFFAOYSA-N -1 1 345.196 3.265 20 30 EGEDMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)c(C)c1F ZINC000181125091 455291647 /nfs/dbraw/zinc/29/16/47/455291647.db2.gz CTIJTPKNSKOXPY-UHFFFAOYSA-N -1 1 334.372 3.010 20 30 EGEDMM C=C(C)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000183043025 455215472 /nfs/dbraw/zinc/21/54/72/455215472.db2.gz OPKCVRXEZLVGSJ-UHFFFAOYSA-N -1 1 344.436 3.136 20 30 EGEDMM CN(CCCOc1cccc(Cl)c1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000190833600 455389176 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C=CC[C@@H]1CCCC[C@H]1Nc1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001573329468 947420644 /nfs/dbraw/zinc/42/06/44/947420644.db2.gz KEUSTDFUQJMFAF-NXEZZACHSA-N -1 1 334.405 3.383 20 30 EGEDMM C=CC[C@@H]1CCCC[C@H]1Nc1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001573329468 947420654 /nfs/dbraw/zinc/42/06/54/947420654.db2.gz KEUSTDFUQJMFAF-NXEZZACHSA-N -1 1 334.405 3.383 20 30 EGEDMM C=CCCC[C@H](NC(=O)c1coc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573336035 947498875 /nfs/dbraw/zinc/49/88/75/947498875.db2.gz ZEXLHKFQIVPTQV-HNNXBMFYSA-N -1 1 337.383 3.287 20 30 EGEDMM C=CCCC[C@H](NC(=O)c1coc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573336035 947498885 /nfs/dbraw/zinc/49/88/85/947498885.db2.gz ZEXLHKFQIVPTQV-HNNXBMFYSA-N -1 1 337.383 3.287 20 30 EGEDMM C#CCN(CC(=O)[O-])CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC001588423684 958207583 /nfs/dbraw/zinc/20/75/83/958207583.db2.gz CDKRKQNWFJOMEL-UHFFFAOYSA-N -1 1 329.346 3.117 20 30 EGEDMM COc1cc(C(=O)[O-])ccc1N=NC(C)c1ccc([N+](=O)[O-])cc1 ZINC000756906016 978702069 /nfs/dbraw/zinc/70/20/69/978702069.db2.gz PPUQEMGIFYSGQE-UHFFFAOYSA-N -1 1 329.312 3.138 20 30 EGEDMM O=C([O-])c1ccc(NN=Cc2csc(-c3ccc(F)cc3)n2)nc1 ZINC000763367358 978720664 /nfs/dbraw/zinc/72/06/64/978720664.db2.gz BJPBRHIUTKIHEQ-UHFFFAOYSA-N -1 1 342.355 3.488 20 30 EGEDMM CC[C@@](NCc1cccc(C#N)n1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595300130 980433394 /nfs/dbraw/zinc/43/33/94/980433394.db2.gz NCDNGOZBXSOACV-KRWDZBQOSA-N -1 1 329.787 3.086 20 30 EGEDMM CSc1ccc(CN[C@H](C)c2cncc(C(=O)[O-])c2)cc1C#N ZINC001599813344 988377279 /nfs/dbraw/zinc/37/72/79/988377279.db2.gz PRIBKJZAPBLKDE-LLVKDONJSA-N -1 1 327.409 3.224 20 30 EGEDMM COc1ccccc1C[C@H](C)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC001599709898 991353563 /nfs/dbraw/zinc/35/35/63/991353563.db2.gz ZDKCTQGWLNXVED-AWEZNQCLSA-N -1 1 338.407 3.328 20 30 EGEDMM COC(=O)c1ccc(C(C)=NNc2cccc(F)c2C(=O)[O-])cc1 ZINC001598968300 998464855 /nfs/dbraw/zinc/46/48/55/998464855.db2.gz CJQFBKQQVLXQQP-UHFFFAOYSA-N -1 1 330.315 3.147 20 30 EGEDMM Cc1ccc(C(=O)CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)s1 ZINC000036714223 213113421 /nfs/dbraw/zinc/11/34/21/213113421.db2.gz WCKYKTHMZPXFLM-UHFFFAOYSA-N -1 1 332.307 3.445 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)ccc1C#N ZINC000336862434 154220499 /nfs/dbraw/zinc/22/04/99/154220499.db2.gz JGIUGODHNPDXPX-UHFFFAOYSA-N -1 1 326.299 3.085 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)ccc1C#N ZINC000336880137 163086928 /nfs/dbraw/zinc/08/69/28/163086928.db2.gz PAZRNWUFNNNAME-UHFFFAOYSA-N -1 1 338.392 3.058 20 30 EGEDMM CC1(C)Cc2cc([N-]S(=O)(=O)c3cccc(C#N)c3)ccc2O1 ZINC000345681145 164241719 /nfs/dbraw/zinc/24/17/19/164241719.db2.gz IFOQLFHZYSJSFA-UHFFFAOYSA-N -1 1 328.393 3.073 20 30 EGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000350873288 165076133 /nfs/dbraw/zinc/07/61/33/165076133.db2.gz XLGMQYYRJJBBOK-UHFFFAOYSA-N -1 1 333.388 3.157 20 30 EGEDMM N#Cc1cccc([C@@H]2CN(C(=O)c3cc(Cl)ccc3[O-])CCO2)c1 ZINC000367166931 168187724 /nfs/dbraw/zinc/18/77/24/168187724.db2.gz BJYRXRINVMHZMG-KRWDZBQOSA-N -1 1 342.782 3.131 20 30 EGEDMM Cc1nsc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1C#N ZINC000367837328 168276057 /nfs/dbraw/zinc/27/60/57/168276057.db2.gz WMFHXYKLPWJGPT-UHFFFAOYSA-N -1 1 327.409 3.128 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)ccc1C#N ZINC000295149654 267360275 /nfs/dbraw/zinc/36/02/75/267360275.db2.gz BIXFBMZIRXFGTG-MRXNPFEDSA-N -1 1 342.420 3.171 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)ccc1C#N ZINC000435724745 268018059 /nfs/dbraw/zinc/01/80/59/268018059.db2.gz XUKOYGICXYTOCW-UHFFFAOYSA-N -1 1 338.392 3.058 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)cc1[O-] ZINC000188369936 268036573 /nfs/dbraw/zinc/03/65/73/268036573.db2.gz BFFOSEFTLOMRQL-HKUYNNGSSA-N -1 1 336.391 3.162 20 30 EGEDMM N#Cc1cc(S(=O)(=O)[N-]c2cccc(O)c2)ccc1C(F)(F)F ZINC000443407459 268191762 /nfs/dbraw/zinc/19/17/62/268191762.db2.gz QAJINKBFPBCARW-UHFFFAOYSA-N -1 1 342.298 3.083 20 30 EGEDMM C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000172369634 455149024 /nfs/dbraw/zinc/14/90/24/455149024.db2.gz NLEGSLZYVGWBAZ-OLZOCXBDSA-N -1 1 340.470 3.002 20 30 EGEDMM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000594724033 459141374 /nfs/dbraw/zinc/14/13/74/459141374.db2.gz QXKPZLLJTQLIDY-MRVPVSSYSA-N -1 1 348.371 3.311 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2c(F)cccc2F)C2CC2)c1 ZINC000616495576 460570926 /nfs/dbraw/zinc/57/09/26/460570926.db2.gz CFJXLDUXBAUNGJ-UHFFFAOYSA-N -1 1 328.318 3.347 20 30 EGEDMM C=CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000015508800 453575029 /nfs/dbraw/zinc/57/50/29/453575029.db2.gz LHNXMTWHCDRBBF-UHFFFAOYSA-N -1 1 344.436 3.020 20 30 EGEDMM C[C@@H](CC(=O)Nc1n[n-]c(C(F)(F)F)n1)C(=O)c1cccc(F)c1 ZINC000073028563 454383786 /nfs/dbraw/zinc/38/37/86/454383786.db2.gz ILKYSNLDQHQIPN-ZETCQYMHSA-N -1 1 344.268 3.460 20 30 EGEDMM C=CCCS(=O)(=O)[N-]c1cc(Br)c(C)cc1OC ZINC000184899806 455469029 /nfs/dbraw/zinc/46/90/29/455469029.db2.gz DAKGDKGKJXOTDO-UHFFFAOYSA-N -1 1 334.235 3.084 20 30 EGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(NC(N)=O)c2)n1 ZINC000177756994 454900340 /nfs/dbraw/zinc/90/03/40/454900340.db2.gz AVRSCUJEPXQOAQ-LBPRGKRZSA-N -1 1 328.397 3.247 20 30 EGEDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1OC ZINC000114673249 454968227 /nfs/dbraw/zinc/96/82/27/454968227.db2.gz QDEZLXBNOSMWAF-UHFFFAOYSA-N -1 1 346.408 3.075 20 30 EGEDMM N#CC(=C([O-])c1ccnc(OC2CCC2)c1)c1cnc2ccccc2n1 ZINC000190946161 455412395 /nfs/dbraw/zinc/41/23/95/455412395.db2.gz DJZSJUYINBNIPN-HNNXBMFYSA-N -1 1 344.374 3.446 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(Cc3ccncc3)cc2)c1 ZINC000192705943 455673095 /nfs/dbraw/zinc/67/30/95/455673095.db2.gz SIVOGYUSPBFARL-UHFFFAOYSA-N -1 1 349.415 3.345 20 30 EGEDMM N#Cc1cccc(CSc2nc([O-])cc(=O)n2C2CCCC2)c1 ZINC000192970946 455728745 /nfs/dbraw/zinc/72/87/45/455728745.db2.gz KEIXLFDFTKBFNC-UHFFFAOYSA-N -1 1 327.409 3.228 20 30 EGEDMM COC(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000193257717 455750611 /nfs/dbraw/zinc/75/06/11/455750611.db2.gz ABWJEMLNUUAWTJ-ZDUSSCGKSA-N -1 1 334.335 3.231 20 30 EGEDMM Cc1nc(S(=O)(=O)Cc2ccc(C#N)cc2)[nH]c1-c1ccccc1 ZINC000186850606 455843202 /nfs/dbraw/zinc/84/32/02/455843202.db2.gz AFRHVIWVHVYEHV-UHFFFAOYSA-N -1 1 337.404 3.231 20 30 EGEDMM COc1ccccc1[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1ccco1 ZINC000188692717 456115695 /nfs/dbraw/zinc/11/56/95/456115695.db2.gz FJGWILOUGLVJSY-LJQANCHMSA-N -1 1 348.358 3.385 20 30 EGEDMM N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(F)cc3[O-])C2)c(F)c1 ZINC000342409129 457287375 /nfs/dbraw/zinc/28/73/75/457287375.db2.gz AFGRDQIPDDFSEL-GFCCVEGCSA-N -1 1 343.333 3.007 20 30 EGEDMM CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccccc3CC#N)cc2O1 ZINC000355837443 457421325 /nfs/dbraw/zinc/42/13/25/457421325.db2.gz UANQOJOAKCOKRL-UHFFFAOYSA-N -1 1 344.392 3.061 20 30 EGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000355872519 457426606 /nfs/dbraw/zinc/42/66/06/457426606.db2.gz YCZWWWSNKVECTD-UHFFFAOYSA-N -1 1 339.376 3.208 20 30 EGEDMM CCOc1ccc(CNC(=O)c2ccc(C#N)c([O-])c2)cc1Cl ZINC000356152814 457490724 /nfs/dbraw/zinc/49/07/24/457490724.db2.gz LADRSECPZQZXQA-UHFFFAOYSA-N -1 1 330.771 3.246 20 30 EGEDMM Cc1c([N-]S(=O)(=O)c2ccc(C#N)cc2)cccc1-c1ncco1 ZINC000427294294 457970444 /nfs/dbraw/zinc/97/04/44/457970444.db2.gz HZPZZFUWMKHELS-UHFFFAOYSA-N -1 1 339.376 3.323 20 30 EGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1Cl ZINC000427299888 457972109 /nfs/dbraw/zinc/97/21/09/457972109.db2.gz AHPMFJSMASNRCI-UHFFFAOYSA-N -1 1 340.763 3.160 20 30 EGEDMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2ccc(Br)cc2[O-])C1 ZINC000436547828 458328383 /nfs/dbraw/zinc/32/83/83/458328383.db2.gz YMFXHIYICMPGBZ-ZUZCIYMTSA-N -1 1 337.217 3.357 20 30 EGEDMM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000416942807 458357649 /nfs/dbraw/zinc/35/76/49/458357649.db2.gz SKBCRRWOJIEORN-INIZCTEOSA-N -1 1 334.397 3.040 20 30 EGEDMM C=CCNC(=O)c1cccc(-c2noc(-c3cc(F)ccc3[O-])n2)c1 ZINC000436917204 458404576 /nfs/dbraw/zinc/40/45/76/458404576.db2.gz AVXPYHCOCRGKCB-UHFFFAOYSA-N -1 1 339.326 3.164 20 30 EGEDMM C=CCC1(C(=O)N=c2[nH][n-]c(CC)c2Br)CCCC1 ZINC000450017932 458437239 /nfs/dbraw/zinc/43/72/39/458437239.db2.gz NONCNARBOCGNPW-UHFFFAOYSA-N -1 1 326.238 3.232 20 30 EGEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1 ZINC000438776422 458613658 /nfs/dbraw/zinc/61/36/58/458613658.db2.gz ZQAMRHKYZIIWDD-UHFFFAOYSA-N -1 1 346.383 3.337 20 30 EGEDMM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccccc1-c1cn[nH]c1 ZINC000438809682 458616035 /nfs/dbraw/zinc/61/60/35/458616035.db2.gz LQPPVGPHFCYJGP-UHFFFAOYSA-N -1 1 338.392 3.058 20 30 EGEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@H](C#N)C(C)(C)C)c([O-])c1 ZINC000495683306 458917987 /nfs/dbraw/zinc/91/79/87/458917987.db2.gz BIQQOBIBVWSKLC-CQSZACIVSA-N -1 1 347.415 3.407 20 30 EGEDMM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000443049731 459077392 /nfs/dbraw/zinc/07/73/92/459077392.db2.gz PJFXNGXCOCEREG-JTQLQIEISA-N -1 1 328.318 3.302 20 30 EGEDMM CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)c1cc([O-])cc(C#N)c1 ZINC000598390268 459885856 /nfs/dbraw/zinc/88/58/56/459885856.db2.gz PTDMBSNVZKJYES-UHFFFAOYSA-N -1 1 346.427 3.094 20 30 EGEDMM C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCCN2C(=O)c2ccc(C#N)c([O-])c2)C1 ZINC000597606527 460005134 /nfs/dbraw/zinc/00/51/34/460005134.db2.gz WPYHMBJEZLCUKM-RNJTYBCJSA-N -1 1 342.439 3.056 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)c1 ZINC000614293927 460082755 /nfs/dbraw/zinc/08/27/55/460082755.db2.gz FNIMCQISIIBMCM-INIZCTEOSA-N -1 1 342.420 3.147 20 30 EGEDMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000614296989 460083073 /nfs/dbraw/zinc/08/30/73/460083073.db2.gz GDQICVPYXGSXIU-UHFFFAOYSA-N -1 1 344.798 3.458 20 30 EGEDMM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)C12CCCCC2 ZINC000614299934 460084921 /nfs/dbraw/zinc/08/49/21/460084921.db2.gz MYXFCGUDKWLDJL-QZTJIDSGSA-N -1 1 342.439 3.464 20 30 EGEDMM Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000576302682 460112778 /nfs/dbraw/zinc/11/27/78/460112778.db2.gz CLQUOYUEKFIPTN-MRXNPFEDSA-N -1 1 338.411 3.361 20 30 EGEDMM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614375219 460121029 /nfs/dbraw/zinc/12/10/29/460121029.db2.gz NTLQOYRNPUBLAJ-LLVKDONJSA-N -1 1 337.404 3.235 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2ccc(-c3ccccc3F)o2)c(=O)o1 ZINC000023990223 520852148 /nfs/dbraw/zinc/85/21/48/520852148.db2.gz KBQLHJXEGQPKSS-JHTBKMLMSA-N -1 1 340.306 3.314 20 30 EGEDMM COc1cccc([C@H](C#N)[N-]C(=O)C(F)(F)c2ccccc2)c1OC ZINC000729432210 574860796 /nfs/dbraw/zinc/86/07/96/574860796.db2.gz CSEAJFCKEQGSQX-AWEZNQCLSA-N -1 1 346.333 3.177 20 30 EGEDMM C=CCCCCCN(C)Cn1nc(C(=O)[O-])c(Br)c1C ZINC000736098071 575899507 /nfs/dbraw/zinc/89/95/07/575899507.db2.gz QQUKAADMEIBOPE-UHFFFAOYSA-N -1 1 344.253 3.288 20 30 EGEDMM C#CCOc1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000741657615 576709108 /nfs/dbraw/zinc/70/91/08/576709108.db2.gz UPEPGXADLKBDLA-UHFFFAOYSA-N -1 1 338.388 3.048 20 30 EGEDMM CC(C)c1csc(C(C#N)C(=O)c2cccc(OCC(=O)[O-])c2)n1 ZINC000827139204 601194495 /nfs/dbraw/zinc/19/44/95/601194495.db2.gz FZAQXMGYFACAAA-ZDUSSCGKSA-N -1 1 344.392 3.220 20 30 EGEDMM CCCCOc1ncccc1CN[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000829422107 601302872 /nfs/dbraw/zinc/30/28/72/601302872.db2.gz PDDKAUDXFBXXBV-QGZVFWFLSA-N -1 1 339.395 3.048 20 30 EGEDMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833515397 604618155 /nfs/dbraw/zinc/61/81/55/604618155.db2.gz GWAMZMJHLIZOOQ-DJJJIMSYSA-N -1 1 336.391 3.080 20 30 EGEDMM C=CCN(CCc1ccco1)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000833374585 605419392 /nfs/dbraw/zinc/41/93/92/605419392.db2.gz RXMDILHVBINIJW-UHFFFAOYSA-N -1 1 325.368 3.016 20 30 EGEDMM O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc(-n2cccn2)cc1 ZINC000822923762 606391844 /nfs/dbraw/zinc/39/18/44/606391844.db2.gz UBYSZMNCXRYYQI-SOFGYWHQSA-N -1 1 348.391 3.010 20 30 EGEDMM CCCC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000769819565 1303180152 /nfs/dbraw/zinc/18/01/52/1303180152.db2.gz NSQAPYLFGCFCCU-UHFFFAOYSA-N -1 1 344.806 3.339 20 30 EGEDMM N#C[C@@H](C(=O)[C@H]1CC1(F)F)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 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/nfs/dbraw/zinc/83/80/36/1318838036.db2.gz XHAGMDAIXSFSQK-WCBMZHEXSA-N -1 1 328.210 3.007 20 30 EGEDMM CCCc1ccc(C(C)=NN=C2[N-]S(=O)(=O)c3ccccc32)cc1 ZINC000914600717 1319354489 /nfs/dbraw/zinc/35/44/89/1319354489.db2.gz WOZVVSWYYFMVAA-UHFFFAOYSA-N -1 1 341.436 3.102 20 30 EGEDMM CCCOc1c(C=NNc2nc(C)cc(=O)[n-]2)cccc1OCC ZINC000916241813 1319625223 /nfs/dbraw/zinc/62/52/23/1319625223.db2.gz WOWMOUKOBFCVSH-UHFFFAOYSA-N -1 1 330.388 3.124 20 30 EGEDMM CCCCCNC(=S)NN=Cc1ccc([O-])c(Br)c1 ZINC000916360636 1319645256 /nfs/dbraw/zinc/64/52/56/1319645256.db2.gz CCDIRTVFHQBEKX-UHFFFAOYSA-N -1 1 344.278 3.143 20 30 EGEDMM CCc1cc2c(COC(=O)c3cccc(C#N)c3)cc(=O)oc2cc1[O-] ZINC000844894082 1321655652 /nfs/dbraw/zinc/65/56/52/1321655652.db2.gz MSAFNUWRJRVQNV-UHFFFAOYSA-N -1 1 349.342 3.290 20 30 EGEDMM N#C[C@@H](C(=O)CCCF)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000850739445 1322280671 /nfs/dbraw/zinc/28/06/71/1322280671.db2.gz LIFSTLRIUQMNIA-JTQLQIEISA-N -1 1 333.388 3.202 20 30 EGEDMM C=CCCO[N-]C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 ZINC000856028930 1325440917 /nfs/dbraw/zinc/44/09/17/1325440917.db2.gz RUSMYPRUPJAVCZ-UHFFFAOYSA-N -1 1 331.441 3.025 20 30 EGEDMM C=CCCO[N-]C(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000856034375 1325441430 /nfs/dbraw/zinc/44/14/30/1325441430.db2.gz LZBQKKJSXRTWKM-GUYCJALGSA-N -1 1 326.437 3.084 20 30 EGEDMM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2conc2C)cc1 ZINC000860468665 1329320906 /nfs/dbraw/zinc/32/09/06/1329320906.db2.gz FJDWDNNCZAQZLT-HNNXBMFYSA-N -1 1 325.368 3.287 20 30 EGEDMM CCCCCCCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000862360596 1329478058 /nfs/dbraw/zinc/47/80/58/1329478058.db2.gz SOORAASFMMYHMM-UHFFFAOYSA-N -1 1 342.443 3.182 20 30 EGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)cc1C#N ZINC001185222606 1387655870 /nfs/dbraw/zinc/65/58/70/1387655870.db2.gz WTNPDHLEVXPFCW-UHFFFAOYSA-N -1 1 339.376 3.323 20 30 EGEDMM CC1(C)CC(=O)C=C(NC(=O)c2cccc(OC(F)(F)F)c2[O-])C1 ZINC001189764514 1367105317 /nfs/dbraw/zinc/10/53/17/1367105317.db2.gz DQABJTWGEPAUAI-UHFFFAOYSA-N -1 1 343.301 3.294 20 30 EGEDMM Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2F)c(Cl)c1[O-] ZINC001190651024 1367316060 /nfs/dbraw/zinc/31/60/60/1367316060.db2.gz STJGBDDWFCLFQR-UHFFFAOYSA-N -1 1 340.763 3.166 20 30 EGEDMM CC(C)(S)CNC(=O)c1ccccc1C(=O)c1ccc([O-])cc1 ZINC001191510652 1367517325 /nfs/dbraw/zinc/51/73/25/1367517325.db2.gz SSSBLGQGVADSEO-UHFFFAOYSA-N -1 1 329.421 3.061 20 30 EGEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cccc(Oc2cc(F)cc(F)c2)c1 ZINC001193157637 1367955726 /nfs/dbraw/zinc/95/57/26/1367955726.db2.gz GRMMCNZIORWCCB-SNVBAGLBSA-N -1 1 338.335 3.411 20 30 EGEDMM N#CC1(c2ccc([N-]S(=O)(=O)c3ccccc3N)cc2)CCCC1 ZINC001193928638 1368148308 /nfs/dbraw/zinc/14/83/08/1368148308.db2.gz HZXQXPMXOCQPIF-UHFFFAOYSA-N -1 1 341.436 3.405 20 30 EGEDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)C)c2)cc1C#N ZINC001195156709 1368389844 /nfs/dbraw/zinc/38/98/44/1368389844.db2.gz OQFPAFSQYFYNMQ-UHFFFAOYSA-N -1 1 330.409 3.491 20 30 EGEDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2F)c1F ZINC001200799014 1369431276 /nfs/dbraw/zinc/43/12/76/1369431276.db2.gz QGQYHHWDFGPHSE-UHFFFAOYSA-N -1 1 326.299 3.085 20 30 EGEDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C#N)cc2C)cc1C#N ZINC001201316930 1369517530 /nfs/dbraw/zinc/51/75/30/1369517530.db2.gz IKLPTFQUEJJWRM-UHFFFAOYSA-N -1 1 325.393 3.156 20 30 EGEDMM CCOC(=O)c1ccc(NC(=O)Nc2scc([O-])c2C#N)cc1 ZINC001187252547 1388081666 /nfs/dbraw/zinc/08/16/66/1388081666.db2.gz PJBOLGKVTGZWSP-UHFFFAOYSA-N -1 1 331.353 3.146 20 30 EGEDMM CCOC(=O)c1ccc(NC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001187282893 1388087654 /nfs/dbraw/zinc/08/76/54/1388087654.db2.gz OZVAGUASLNFINL-UHFFFAOYSA-N -1 1 325.324 3.085 20 30 EGEDMM N#CCc1nn(-c2ccccc2)c(Nc2ccc(F)c([O-])c2)c1C#N ZINC001211216498 1372504703 /nfs/dbraw/zinc/50/47/03/1372504703.db2.gz GTPZOBHYXSJRBM-UHFFFAOYSA-N -1 1 333.326 3.398 20 30 EGEDMM CC(=O)c1cc(-c2nc(-c3ccc(C#N)c4ccccc34)no2)n[n-]1 ZINC001212429966 1372705835 /nfs/dbraw/zinc/70/58/35/1372705835.db2.gz SBKNDSFJUWRMEL-UHFFFAOYSA-N -1 1 329.319 3.354 20 30 EGEDMM CC(=O)c1cc(-c2nc(-c3ccc(C#N)c4ccccc34)no2)[n-]n1 ZINC001212429966 1372705837 /nfs/dbraw/zinc/70/58/37/1372705837.db2.gz SBKNDSFJUWRMEL-UHFFFAOYSA-N -1 1 329.319 3.354 20 30 EGEDMM C#C[C@H](CC(C)C)Oc1nc(=O)[n-]c2c1CN(Cc1ccccc1)C2 ZINC001226622059 1375294967 /nfs/dbraw/zinc/29/49/67/1375294967.db2.gz GDUVJMXGPKWCBT-MRXNPFEDSA-N -1 1 337.423 3.125 20 30 EGEDMM Cc1nc(=O)[n-]c(O[C@@H](C#N)c2ccccc2F)c1Br ZINC001226787343 1375334469 /nfs/dbraw/zinc/33/44/69/1375334469.db2.gz GXLHBIPNKRPDTI-JTQLQIEISA-N -1 1 338.136 3.036 20 30 EGEDMM C[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1cccc(Br)n1 ZINC001227617164 1375454932 /nfs/dbraw/zinc/45/49/32/1375454932.db2.gz ADNUVEZLRZICKC-VIFPVBQESA-N -1 1 344.168 3.433 20 30 EGEDMM COC(=O)[C@H](Oc1ccc([O-])c(C#N)c1C#N)c1ccccc1Cl ZINC001227622489 1375456034 /nfs/dbraw/zinc/45/60/34/1375456034.db2.gz LABFCQLWKGQADT-MRXNPFEDSA-N -1 1 342.738 3.082 20 30 EGEDMM C#C[C@@H](COc1cccc(Cl)c1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229400094 1375828019 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N#Cc1cc(NC(=O)c2cc3cccc(O)c3cc2O)c([O-])cc1F ZINC001149653671 1379421646 /nfs/dbraw/zinc/42/16/46/1379421646.db2.gz OFOLQMWJULDLLU-UHFFFAOYSA-N -1 1 338.294 3.220 20 30 EGEDMM N#CC1(NC(=O)c2cc3cccc(O)c3cc2[O-])Cc2ccccc2C1 ZINC001149659874 1379422221 /nfs/dbraw/zinc/42/22/21/1379422221.db2.gz QXSYILFAQUPHMI-UHFFFAOYSA-N -1 1 344.370 3.042 20 30 EGEDMM COc1ccc2cc([O-])c(C(=O)Nc3ccc(O)c(C#N)c3)cc2c1 ZINC001154754929 1380346817 /nfs/dbraw/zinc/34/68/17/1380346817.db2.gz RWDOTCIFARGTCV-UHFFFAOYSA-N -1 1 334.331 3.384 20 30 EGEDMM O=[N+]([O-])c1ccnc(NC(=N[O-])c2ccc(OC(F)(F)F)cc2)c1 ZINC001155909037 1380504539 /nfs/dbraw/zinc/50/45/39/1380504539.db2.gz GBPKEEJDVVCMHL-UHFFFAOYSA-N -1 1 342.233 3.136 20 30 EGEDMM C=CCOc1ccccc1[C@H](C)Nc1nc(C)cc2c1C(=O)[N-]C2=O ZINC001160182406 1382027507 /nfs/dbraw/zinc/02/75/07/1382027507.db2.gz BUCHETPHWGGNKM-LBPRGKRZSA-N -1 1 337.379 3.012 20 30 EGEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCC[C@H](C#N)C1 ZINC001339821286 1390160209 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C=C[C@H](CC(=O)N(C)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882609 1425265686 /nfs/dbraw/zinc/26/56/86/1425265686.db2.gz AJXJVLUAJZVANX-CQSZACIVSA-N -1 1 333.395 3.189 20 30 EGEDMM N#Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1-c1nnn[n-]1 ZINC000737709806 1425272320 /nfs/dbraw/zinc/27/23/20/1425272320.db2.gz QPQWRUMZFCBNPO-UHFFFAOYSA-N -1 1 340.346 3.144 20 30 EGEDMM C=CCN(CC1CCCCC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735418897 1425798800 /nfs/dbraw/zinc/79/88/00/1425798800.db2.gz LGPYASCPSWPMRU-UHFFFAOYSA-N -1 1 325.416 3.075 20 30 EGEDMM C=CCOc1ccc(Oc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000823931977 1426054929 /nfs/dbraw/zinc/05/49/29/1426054929.db2.gz JPTMROGPADHQCS-UHFFFAOYSA-N -1 1 335.776 3.334 20 30 EGEDMM CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958756 1427944202 /nfs/dbraw/zinc/94/42/02/1427944202.db2.gz VBZHKRSDKFVOEV-UHFFFAOYSA-N -1 1 338.318 3.182 20 30 EGEDMM C[C@H](C#N)Oc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735502307 1429792921 /nfs/dbraw/zinc/79/29/21/1429792921.db2.gz DPLLVQFXDGWNRI-UTSBKAFOSA-N -1 1 345.362 3.054 20 30 EGEDMM O=C1c2cccc(Cl)c2OC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823505178 1429900467 /nfs/dbraw/zinc/90/04/67/1429900467.db2.gz YODWZSRBVWHKGN-QPEQYQDCSA-N -1 1 342.717 3.275 20 30 EGEDMM CCC(N=Nc1oc(C)nc1-c1nnn[n-]1)c1c(F)cccc1Cl ZINC000820832297 1429940858 /nfs/dbraw/zinc/94/08/58/1429940858.db2.gz JGABWAJSLSMNBV-UHFFFAOYSA-N -1 1 349.757 3.182 20 30 EGEDMM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-c2ccccn2)c1 ZINC000823867801 1441512011 /nfs/dbraw/zinc/51/20/11/1441512011.db2.gz ISWIHYODKBTOPD-UHFFFAOYSA-N -1 1 341.378 3.375 20 30 EGEDMM N#CCCCOc1cccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737688690 1441536289 /nfs/dbraw/zinc/53/62/89/1441536289.db2.gz WZZRDIITAHZGPT-SOFGYWHQSA-N -1 1 332.367 3.115 20 30 EGEDMM N#Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737719396 1441877858 /nfs/dbraw/zinc/87/78/58/1441877858.db2.gz PUVMXKIJOCSAAF-UHFFFAOYSA-N -1 1 340.346 3.144 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC(CC)CC ZINC000735418148 1442238005 /nfs/dbraw/zinc/23/80/05/1442238005.db2.gz CKHRYDVIHAQRQF-UHFFFAOYSA-N -1 1 342.447 3.001 20 30 EGEDMM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403328 1443113374 /nfs/dbraw/zinc/11/33/74/1443113374.db2.gz PANVYGYILZYKCE-BQYQJAHWSA-N -1 1 345.337 3.450 20 30 EGEDMM CC(C)N(Cc1ccc(C#N)s1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824293080 1443470260 /nfs/dbraw/zinc/47/02/60/1443470260.db2.gz FGTTYOSTNGUXTE-UHFFFAOYSA-N -1 1 338.440 3.210 20 30 EGEDMM CC(C)N(Cc1ccc(C#N)s1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824293080 1443470263 /nfs/dbraw/zinc/47/02/63/1443470263.db2.gz FGTTYOSTNGUXTE-UHFFFAOYSA-N -1 1 338.440 3.210 20 30 EGEDMM CCc1ccc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)s1 ZINC000736683251 1443686949 /nfs/dbraw/zinc/68/69/49/1443686949.db2.gz OSCZGWHYQMZBIO-UHFFFAOYSA-N -1 1 331.405 3.048 20 30 EGEDMM CCOc1ccc(O)c(C=N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821422033 1443976338 /nfs/dbraw/zinc/97/63/38/1443976338.db2.gz KHKKAZSBAABCDF-ZGXHQARYSA-N -1 1 337.383 3.151 20 30 EGEDMM N#CCC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000826381319 1446129665 /nfs/dbraw/zinc/12/96/65/1446129665.db2.gz HBBCQRLKSLGHFT-SNVBAGLBSA-N -1 1 345.819 3.434 20 30 EGEDMM COc1cccc(CC(N=Nc2cccc(-c3nnn[n-]3)c2)C2CC2)c1 ZINC000826215522 1446230759 /nfs/dbraw/zinc/23/07/59/1446230759.db2.gz RKVPCFLINAQDSB-UHFFFAOYSA-N -1 1 348.410 3.296 20 30 EGEDMM N#CC1(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000826380039 1446441591 /nfs/dbraw/zinc/44/15/91/1446441591.db2.gz KZUWVIHPXHGDSU-UHFFFAOYSA-N -1 1 337.355 3.005 20 30 EGEDMM C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001588541760 958966212 /nfs/dbraw/zinc/96/62/12/958966212.db2.gz LOTPTDDZKIKJNW-LJQANCHMSA-N -1 1 348.362 3.173 20 30 EGEDMM O=C([O-])Cn1cc(CN=Nc2cc(F)cc(F)c2)c2ccccc21 ZINC000799876178 978843342 /nfs/dbraw/zinc/84/33/42/978843342.db2.gz LNPCHENLDWYPJW-UHFFFAOYSA-N -1 1 329.306 3.450 20 30 EGEDMM O=C([O-])c1ccc(N=NCc2cnc([C@@H]3CCCO3)s2)c(F)c1 ZINC000835011573 979245309 /nfs/dbraw/zinc/24/53/09/979245309.db2.gz HIBSYWZXXAHOMY-ZDUSSCGKSA-N -1 1 335.360 3.278 20 30 EGEDMM C=CCN(CC(=O)Nc1ccc(C(=O)[O-])cc1)CC1CCCCC1 ZINC001588823943 984294536 /nfs/dbraw/zinc/29/45/36/984294536.db2.gz GBLNADKKYUUMBS-UHFFFAOYSA-N -1 1 330.428 3.392 20 30 EGEDMM C=CCOC[C@@H](NCc1ccc2oc3ccccc3c2c1)C(=O)[O-] ZINC001588865955 984421356 /nfs/dbraw/zinc/42/13/56/984421356.db2.gz GXZJLKKBTGHUGS-MRXNPFEDSA-N -1 1 325.364 3.331 20 30 EGEDMM CCOc1ccc2c(c1)CN([C@@H](C(=O)[O-])c1cccc(C#N)c1)CC2 ZINC001597142923 986893759 /nfs/dbraw/zinc/89/37/59/986893759.db2.gz PYKHSUNBMZYFOU-LJQANCHMSA-N -1 1 336.391 3.141 20 30 EGEDMM COc1cc(C(C)=NNc2cccc(F)c2C(=O)[O-])c(OC)cc1O ZINC001599388029 996979722 /nfs/dbraw/zinc/97/97/22/996979722.db2.gz XCNKQYWUEPXPAT-UHFFFAOYSA-N -1 1 348.330 3.083 20 30 EGEDMM Cc1csc([N-]C(=O)c2cnc(-c3ncccn3)s2)c1C#N ZINC000344927685 144243521 /nfs/dbraw/zinc/24/35/21/144243521.db2.gz LVSHELKDTZHNEC-UHFFFAOYSA-N -1 1 327.394 3.094 20 30 EGEDMM CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(C#N)c([O-])c1)CCC2 ZINC000188791063 153034977 /nfs/dbraw/zinc/03/49/77/153034977.db2.gz JOVLYFILIOBATQ-CQSZACIVSA-N -1 1 341.436 3.432 20 30 EGEDMM CO[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)c1ccc(Cl)cc1 ZINC000443292724 269760521 /nfs/dbraw/zinc/76/05/21/269760521.db2.gz WBPUZRTYWUZHMK-MRXNPFEDSA-N -1 1 330.771 3.035 20 30 EGEDMM N#Cc1cccc(CN[C@H](CC(=O)[O-])c2cnn(-c3ccccc3)c2)c1 ZINC000426754326 270049505 /nfs/dbraw/zinc/04/95/05/270049505.db2.gz PJDNVXSHUIAJPL-LJQANCHMSA-N -1 1 346.390 3.050 20 30 EGEDMM Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)CC3 ZINC000443118595 270052026 /nfs/dbraw/zinc/05/20/26/270052026.db2.gz PZKCPNBHTUZATH-HNNXBMFYSA-N -1 1 345.402 3.341 20 30 EGEDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1C#N ZINC000391864454 267360066 /nfs/dbraw/zinc/36/00/66/267360066.db2.gz SERHWAQCGGEOQO-UHFFFAOYSA-N -1 1 330.409 3.455 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)cc1[O-] ZINC000189224017 268036623 /nfs/dbraw/zinc/03/66/23/268036623.db2.gz VRLWKGLIJZLNCU-CQSZACIVSA-N -1 1 334.297 3.340 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)cc1[O-] ZINC000188441882 268044199 /nfs/dbraw/zinc/04/41/99/268044199.db2.gz QWSIPSDWIYFMIU-IBGZPJMESA-N -1 1 329.359 3.178 20 30 EGEDMM N#Cc1ccc(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[O-] ZINC000443303698 268199386 /nfs/dbraw/zinc/19/93/86/268199386.db2.gz SLKBRCZEAQHGIY-QWHCGFSZSA-N -1 1 326.318 3.362 20 30 EGEDMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1SC[C@H](C)C#N ZINC000176469141 454749287 /nfs/dbraw/zinc/74/92/87/454749287.db2.gz VYSNLQBNOHVGJP-CYBMUJFWSA-N -1 1 342.486 3.105 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)cc1[O-] ZINC000581759531 325388454 /nfs/dbraw/zinc/38/84/54/325388454.db2.gz OMCNMVDHKVCLAK-LJQANCHMSA-N -1 1 348.402 3.088 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)c1 ZINC000032097292 453864612 /nfs/dbraw/zinc/86/46/12/453864612.db2.gz OYRHDENBGMMWOQ-UHFFFAOYSA-N -1 1 339.376 3.378 20 30 EGEDMM CC(C)(C#N)CCCS(=O)(=O)c1n[n-]c(CCC2CCCC2)n1 ZINC000083038571 453935635 /nfs/dbraw/zinc/93/56/35/453935635.db2.gz OIUXRJKUPIXAIG-UHFFFAOYSA-N -1 1 338.477 3.031 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c1 ZINC000055638272 454001315 /nfs/dbraw/zinc/00/13/15/454001315.db2.gz VICKKZOHKRDMCI-UHFFFAOYSA-N -1 1 342.298 3.100 20 30 EGEDMM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2)cc1 ZINC000042626282 454016032 /nfs/dbraw/zinc/01/60/32/454016032.db2.gz GAZQBUUDCBOYMZ-UHFFFAOYSA-N -1 1 345.424 3.103 20 30 EGEDMM N#CC1(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)CCCCC1 ZINC000057429853 454128235 /nfs/dbraw/zinc/12/82/35/454128235.db2.gz ICCHCLCWYAMFSX-UHFFFAOYSA-N -1 1 340.423 3.288 20 30 EGEDMM N#CC(=C([O-])c1cc2c(s1)CCCC2)c1nnc2n1CCCCC2 ZINC000072678731 454326867 /nfs/dbraw/zinc/32/68/67/454326867.db2.gz NBQHDQWYTIMMRQ-CYBMUJFWSA-N -1 1 340.452 3.435 20 30 EGEDMM N#CC(=C([O-])c1cc2c(s1)CCCC2)c1nnc2n1CCCCC2 ZINC000072678732 454327355 /nfs/dbraw/zinc/32/73/55/454327355.db2.gz NBQHDQWYTIMMRQ-ZDUSSCGKSA-N -1 1 340.452 3.435 20 30 EGEDMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccn(C2CCCC2)n1 ZINC000121302913 454417773 /nfs/dbraw/zinc/41/77/73/454417773.db2.gz BBPDXXGIPLXAHG-CQSZACIVSA-N -1 1 333.395 3.375 20 30 EGEDMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)[C@@H](C)CC#N)c1 ZINC000080640525 454609889 /nfs/dbraw/zinc/60/98/89/454609889.db2.gz DXGMDVXISZIRLD-ZDUSSCGKSA-N -1 1 343.456 3.067 20 30 EGEDMM CC(C)COc1ncccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000093242931 454695842 /nfs/dbraw/zinc/69/58/42/454695842.db2.gz MTVJCFCHNHTYNA-HNNXBMFYSA-N -1 1 348.406 3.493 20 30 EGEDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC000172123751 455125665 /nfs/dbraw/zinc/12/56/65/455125665.db2.gz XJVZFJWFHYEYKH-UHFFFAOYSA-N -1 1 343.408 3.016 20 30 EGEDMM C=C(C)COCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000189470722 455201899 /nfs/dbraw/zinc/20/18/99/455201899.db2.gz WMDXAEXPOACGBF-UHFFFAOYSA-N -1 1 342.219 3.004 20 30 EGEDMM N#Cc1ccc(C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1[O-] ZINC000190958488 455414969 /nfs/dbraw/zinc/41/49/69/455414969.db2.gz YVPBFMNCTDWXBR-SFHVURJKSA-N -1 1 336.391 3.085 20 30 EGEDMM CC(C)(C)c1nc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2[nH]1 ZINC000288665973 456102625 /nfs/dbraw/zinc/10/26/25/456102625.db2.gz VSBXIEIHIGSKQS-UHFFFAOYSA-N -1 1 344.396 3.126 20 30 EGEDMM C=CCC[C@H](NCc1n[nH]c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000342218371 457175638 /nfs/dbraw/zinc/17/56/38/457175638.db2.gz HJOSKAATJBJQCB-LBPRGKRZSA-N -1 1 326.322 3.326 20 30 EGEDMM N#Cc1ccc(C(=O)N2CC[C@](F)(c3cc(F)cc(F)c3)C2)cc1[O-] ZINC000357102626 457323278 /nfs/dbraw/zinc/32/32/78/457323278.db2.gz QTDVRUBHCHUGRM-GOSISDBHSA-N -1 1 346.308 3.253 20 30 EGEDMM C=C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000355187146 457347394 /nfs/dbraw/zinc/34/73/94/457347394.db2.gz JERRWQDZJQIWEX-CYBMUJFWSA-N -1 1 345.424 3.183 20 30 EGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)cc1F ZINC000355844183 457422488 /nfs/dbraw/zinc/42/24/88/457422488.db2.gz NLXSSTYNXYTLDC-UHFFFAOYSA-N -1 1 334.372 3.091 20 30 EGEDMM C=CCC1(C(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)CCCCC1 ZINC000449889702 458434346 /nfs/dbraw/zinc/43/43/46/458434346.db2.gz DOMCIVPGZKRSET-UHFFFAOYSA-N -1 1 342.443 3.195 20 30 EGEDMM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC2(C#N)CCC2)c([O-])c1 ZINC000495894211 458996069 /nfs/dbraw/zinc/99/60/69/458996069.db2.gz NLNTVZQZCQPFED-UHFFFAOYSA-N -1 1 345.399 3.163 20 30 EGEDMM N#Cc1ccc(C(=O)N2CCC(OC3CCCCC3)CC2)cc1[O-] ZINC000442616133 459016722 /nfs/dbraw/zinc/01/67/22/459016722.db2.gz FJVVARKKOIFRAV-UHFFFAOYSA-N -1 1 328.412 3.218 20 30 EGEDMM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC(C)(F)F ZINC000594776934 459154129 /nfs/dbraw/zinc/15/41/29/459154129.db2.gz PYHNWRYTNNACOL-UHFFFAOYSA-N -1 1 330.381 3.015 20 30 EGEDMM CC(C)Cn1cc([N-]S(=O)(=O)CCC(C)(C)C#N)c(C(F)F)n1 ZINC000593211744 459809236 /nfs/dbraw/zinc/80/92/36/459809236.db2.gz WOVOWACAOCDLLB-UHFFFAOYSA-N -1 1 348.419 3.158 20 30 EGEDMM CCc1nc(CNCc2ccc(C(C)(C)C#N)cc2)ccc1C(=O)[O-] ZINC000593948347 460023343 /nfs/dbraw/zinc/02/33/43/460023343.db2.gz WDEMPNNLVCVBJQ-UHFFFAOYSA-N -1 1 337.423 3.433 20 30 EGEDMM Cc1cc(Br)ccc1CNC(=O)c1cc([O-])cc(C#N)c1 ZINC000589181082 460046314 /nfs/dbraw/zinc/04/63/14/460046314.db2.gz VAHKYCIJKDYWBN-UHFFFAOYSA-N -1 1 345.196 3.265 20 30 EGEDMM CC(C)COc1ccc(CCNC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000589182974 460047605 /nfs/dbraw/zinc/04/76/05/460047605.db2.gz BMMAKIVIAHIERY-UHFFFAOYSA-N -1 1 338.407 3.271 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c1 ZINC000589204594 460055529 /nfs/dbraw/zinc/05/55/29/460055529.db2.gz ZYMRLYZLMRQUGB-WMZOPIPTSA-N -1 1 340.354 3.053 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2nc(-c3cccc(O)c3)cs2)c1 ZINC000614299396 460084350 /nfs/dbraw/zinc/08/43/50/460084350.db2.gz RTMFCSQKZAXNNI-UHFFFAOYSA-N -1 1 337.360 3.345 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)NC2(c3ccc(F)cc3F)CCC2)c1 ZINC000614304857 460086029 /nfs/dbraw/zinc/08/60/29/460086029.db2.gz RXWSWOYSIROXEA-UHFFFAOYSA-N -1 1 328.318 3.351 20 30 EGEDMM COc1cc(NC(=O)c2cc([O-])cc(C#N)c2)c(OC)cc1Cl ZINC000614357580 460112087 /nfs/dbraw/zinc/11/20/87/460112087.db2.gz NOTQHPQRQOEEGC-UHFFFAOYSA-N -1 1 332.743 3.187 20 30 EGEDMM N#Cc1ccc(C(=O)NCc2ccnc(Oc3ccccc3)c2)cc1[O-] ZINC000615460809 460332952 /nfs/dbraw/zinc/33/29/52/460332952.db2.gz GRCUJRHOCVNFRV-UHFFFAOYSA-N -1 1 345.358 3.381 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)c1 ZINC000619457096 460361417 /nfs/dbraw/zinc/36/14/17/460361417.db2.gz PZXALFYHDOBBSE-UHFFFAOYSA-N -1 1 339.782 3.371 20 30 EGEDMM CCN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000171629359 528887144 /nfs/dbraw/zinc/88/71/44/528887144.db2.gz KTWAGWBAPMCVCB-GFCCVEGCSA-N -1 1 338.436 3.439 20 30 EGEDMM CCOc1cc(C(=O)NCc2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000186569188 535664537 /nfs/dbraw/zinc/66/45/37/535664537.db2.gz JPQOQMBRLOXCRW-UHFFFAOYSA-N -1 1 330.771 3.246 20 30 EGEDMM CN(C)c1ccc(NC(=S)NN=Cc2ccc([O-])c(Cl)c2)cc1 ZINC000729636582 574874790 /nfs/dbraw/zinc/87/47/90/574874790.db2.gz KTSHWYVPTNQAHY-UHFFFAOYSA-N -1 1 348.859 3.432 20 30 EGEDMM CC(C)c1nc(-c2nn[n-]n2)c(N=NC2CCC[C@H](C3CC3)C2)o1 ZINC000735938895 575734665 /nfs/dbraw/zinc/73/46/65/575734665.db2.gz GRGXIUCIDCGZOQ-NSHDSACASA-N -1 1 329.408 3.346 20 30 EGEDMM [O-]c1ccc(C=NN2C(=S)N=NC2[C@H]2CCCCO2)cc1Cl ZINC000743452184 576809553 /nfs/dbraw/zinc/80/95/53/576809553.db2.gz NIMNZVAEMHOUPF-GFCCVEGCSA-N -1 1 338.820 3.050 20 30 EGEDMM N#Cc1cccc([C@H](NCc2ccccc2Br)C(=O)[O-])c1 ZINC000833076742 601303600 /nfs/dbraw/zinc/30/36/00/601303600.db2.gz YJYALHKPEKDNBF-HNNXBMFYSA-N -1 1 345.196 3.236 20 30 EGEDMM N#Cc1ccc([C@@H](N[C@H]2COc3ccc(Cl)cc32)C(=O)[O-])cc1 ZINC000833070999 602304811 /nfs/dbraw/zinc/30/48/11/602304811.db2.gz CCJXUJJOIROUHH-GOEBONIOSA-N -1 1 328.755 3.061 20 30 EGEDMM COc1ccc2nc(SCc3cccc(C(=O)[O-])c3C#N)[nH]c2c1 ZINC000833735153 604550812 /nfs/dbraw/zinc/55/08/12/604550812.db2.gz RZWJZZVWIGGVIH-UHFFFAOYSA-N -1 1 339.376 3.434 20 30 EGEDMM Cc1cc(C)cc(CN=Nc2nc3c(cnn3C(C)(C)C)c(=O)[n-]2)c1 ZINC000769812712 1303178830 /nfs/dbraw/zinc/17/88/30/1303178830.db2.gz OYOJPXHWSULISB-UHFFFAOYSA-N -1 1 338.415 3.350 20 30 EGEDMM N#Cc1ccc(CNN=Cc2cccc(Br)c2[O-])cc1 ZINC000769813327 1303179384 /nfs/dbraw/zinc/17/93/84/1303179384.db2.gz DYZHYNJBUFNWCX-UHFFFAOYSA-N -1 1 330.185 3.150 20 30 EGEDMM Cc1ccc([C@H]2CCCC2=NNc2nc(=O)c3cnn(C)c3[n-]2)cc1 ZINC000769817967 1303180295 /nfs/dbraw/zinc/18/02/95/1303180295.db2.gz CCQZGQCYHXBDDD-CYBMUJFWSA-N -1 1 336.399 3.113 20 30 EGEDMM CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3 ZINC000073087528 1292305800 /nfs/dbraw/zinc/30/58/00/1292305800.db2.gz QZKRHAIBBTXHFN-ZYHUDNBSSA-N -1 1 343.452 3.332 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2cccc(Cl)c2Cl)c(=O)o1 ZINC000107976668 1293073689 /nfs/dbraw/zinc/07/36/89/1293073689.db2.gz HBMSTBYEEFSHPA-CFHLNLSMSA-N -1 1 325.147 3.222 20 30 EGEDMM CCOC(=O)C(C)(C)ON=C(C)c1ccc(Br)cc1[O-] ZINC000835005072 1293185566 /nfs/dbraw/zinc/18/55/66/1293185566.db2.gz MYWXULQDAHNJHL-UHFFFAOYSA-N -1 1 344.205 3.237 20 30 EGEDMM N#CCCCCOC(=O)c1ccc(C(=O)OCc2ccccc2)[n-]1 ZINC000835159949 1293222409 /nfs/dbraw/zinc/22/24/09/1293222409.db2.gz PHYQNODMTARTHP-UHFFFAOYSA-N -1 1 326.352 3.222 20 30 EGEDMM C[C@@H](C(=O)[C@H](C#N)c1nc(=O)c2c3c(sc2[n-]1)CCCC3)C1CC1 ZINC000176520856 1294612186 /nfs/dbraw/zinc/61/21/86/1294612186.db2.gz ISNLBBIXDMTFDZ-SKDRFNHKSA-N -1 1 341.436 3.086 20 30 EGEDMM Cc1cccc(NC(=O)C(C#N)=C([O-])c2csc(C3CC3)n2)c1 ZINC000194989316 1296027296 /nfs/dbraw/zinc/02/72/96/1296027296.db2.gz GJOVLAMZXKJZKG-CYBMUJFWSA-N -1 1 325.393 3.290 20 30 EGEDMM O=C(/C=C\c1cc(O)ccc1Br)c1cc(O)ccc1[O-] ZINC000212202624 1296107351 /nfs/dbraw/zinc/10/73/51/1296107351.db2.gz VJVODZKPOCLMCI-KTAJNNJTSA-N -1 1 335.153 3.462 20 30 EGEDMM CC(=O)[C@@](C#N)(CCSc1nc(C)c(C)c(=O)[n-]1)c1ccccc1 ZINC000871665328 1296471831 /nfs/dbraw/zinc/47/18/31/1296471831.db2.gz GSQPWFCSOOYDFW-SFHVURJKSA-N -1 1 341.436 3.332 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2cc(F)cc(C(F)(F)F)c2)c(=O)o1 ZINC000255293465 1296515844 /nfs/dbraw/zinc/51/58/44/1296515844.db2.gz ZVAXSHADVAAWHR-PYLYLYNFSA-N -1 1 342.244 3.073 20 30 EGEDMM Cc1cc([O-])c(C(=O)C=Cc2cnc(-c3cccs3)s2)c(=O)o1 ZINC000255505338 1296539717 /nfs/dbraw/zinc/53/97/17/1296539717.db2.gz SBZAGNZPEIEMIL-ZRUQZJFASA-N -1 1 345.401 3.100 20 30 EGEDMM N#Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000872323291 1296913863 /nfs/dbraw/zinc/91/38/63/1296913863.db2.gz GAZPEHSNWFIXNN-DLBZAZTESA-N -1 1 342.345 3.137 20 30 EGEDMM COC(=O)[C@@H](C)Oc1ccc(/C=C2\Cc3cc([O-])ccc3C2=O)cc1 ZINC000588535244 1298079469 /nfs/dbraw/zinc/07/94/69/1298079469.db2.gz SSSWVCXESKQXDP-KMHUVPDISA-N -1 1 338.359 3.155 20 30 EGEDMM CC(Cc1nc2ccccc2s1)=NNc1cnnc([O-])c1Cl ZINC000749158232 1299156094 /nfs/dbraw/zinc/15/60/94/1299156094.db2.gz KIEXWKQHOPGLNN-UHFFFAOYSA-N -1 1 333.804 3.476 20 30 EGEDMM Cc1cc[nH]c2nc(C(C#N)=C([O-])C=Cc3ccccc3C#N)nc1-2 ZINC000750724002 1299445276 /nfs/dbraw/zinc/44/52/76/1299445276.db2.gz LOEWNXPBDLNNDS-XHPSBEMXSA-N -1 1 327.347 3.028 20 30 EGEDMM C[C@](C#N)(CCc1ccccc1)[N-]C(=O)C(F)(F)c1nccs1 ZINC000756717231 1300552029 /nfs/dbraw/zinc/55/20/29/1300552029.db2.gz IERHQOOPPZOGCL-OAHLLOKOSA-N -1 1 335.379 3.266 20 30 EGEDMM COCCOc1ccc(/C=C/C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757474501 1300674782 /nfs/dbraw/zinc/67/47/82/1300674782.db2.gz UGXHLIPOFHWMJH-XBXARRHUSA-N -1 1 342.347 3.012 20 30 EGEDMM C[C@H](C#N)Oc1ccc(/C=C\C(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000757472422 1300675751 /nfs/dbraw/zinc/67/57/51/1300675751.db2.gz HEDZVLMKHABUHD-HXUAIIEXSA-N -1 1 337.331 3.277 20 30 EGEDMM COc1cc(C#N)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000766063115 1302379201 /nfs/dbraw/zinc/37/92/01/1302379201.db2.gz LJETVWUFTLTHMJ-UHFFFAOYSA-N -1 1 340.404 3.296 20 30 EGEDMM C=CCNc1ncc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])s1 ZINC000770117709 1303222846 /nfs/dbraw/zinc/22/28/46/1303222846.db2.gz CQYFUFXLBLGWDB-UHFFFAOYSA-N -1 1 346.408 3.049 20 30 EGEDMM Cc1nc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)sc1C ZINC000774044296 1303767540 /nfs/dbraw/zinc/76/75/40/1303767540.db2.gz SQUFNWLESYCFQT-LBPRGKRZSA-N -1 1 333.800 3.375 20 30 EGEDMM C=CCC(F)(F)C(=O)[N-][C@H](c1nccn1C)c1ccc(F)cc1F ZINC000890395078 1304773491 /nfs/dbraw/zinc/77/34/91/1304773491.db2.gz VWIMFVZVDCMOAD-ZDUSSCGKSA-N -1 1 341.308 3.115 20 30 EGEDMM C=C[C@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000781578217 1304844405 /nfs/dbraw/zinc/84/44/05/1304844405.db2.gz JHMAGWDIVOKKPW-LBPRGKRZSA-N -1 1 349.383 3.358 20 30 EGEDMM CCCCCC[C@@](C)(NC(=O)c1ccc(C#N)c([O-])c1)C(=O)OCC ZINC000785587881 1305383762 /nfs/dbraw/zinc/38/37/62/1305383762.db2.gz NFWPSBADOAQUKQ-LJQANCHMSA-N -1 1 346.427 3.286 20 30 EGEDMM Cc1cccc2nc([C@@H](C#N)C(=O)c3n[nH]c4c3C[C@@H](C)CC4)[nH]c21 ZINC000892703274 1305516211 /nfs/dbraw/zinc/51/62/11/1305516211.db2.gz IPXJJYRAEXSXOR-GWCFXTLKSA-N -1 1 333.395 3.209 20 30 EGEDMM N#CCCn1cc(/C=C\C(=O)c2ccc([O-])cc2)c(-c2ccncc2)n1 ZINC000788347831 1305926946 /nfs/dbraw/zinc/92/69/46/1305926946.db2.gz ZQPJUXZEXOOOIV-DAXSKMNVSA-N -1 1 344.374 3.460 20 30 EGEDMM C=CC[C@@H]1N(C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)CCCC1(C)C ZINC000790065329 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EGEDMM N#CCc1ccc(COC(=O)c2nn(-c3ccccc3)cc2[O-])cc1 ZINC000801203177 1310880518 /nfs/dbraw/zinc/88/05/18/1310880518.db2.gz OQKZXVULTLIEDM-UHFFFAOYSA-N -1 1 333.347 3.001 20 30 EGEDMM CCc1cc2c(COC(=O)[C@@](C)(C#N)CC)cc(=O)oc2cc1[O-] ZINC000803783384 1317160898 /nfs/dbraw/zinc/16/08/98/1317160898.db2.gz WHBSLUXSXXIZGT-GOSISDBHSA-N -1 1 329.352 3.044 20 30 EGEDMM CCOc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)co1 ZINC000901265164 1317399679 /nfs/dbraw/zinc/39/96/79/1317399679.db2.gz UGRYLWXZUUXUED-SECBINFHSA-N -1 1 331.397 3.384 20 30 EGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1F ZINC000811833721 1318275991 /nfs/dbraw/zinc/27/59/91/1318275991.db2.gz OTEZUHZWQZCKMS-UHFFFAOYSA-N -1 1 326.299 3.436 20 30 EGEDMM COCc1ccccc1C=C(C)C=CC(=O)c1c([O-])cc(C)oc1=O ZINC000814187748 1318693799 /nfs/dbraw/zinc/69/37/99/1318693799.db2.gz RHZJEWXQWRVMAV-XJWGLNHMSA-N -1 1 340.375 3.008 20 30 EGEDMM CCC(=NN=C1[N-]S(=O)(=O)c2ccccc21)c1ccc(CC)cc1 ZINC000915962007 1319571531 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N#Cc1ccc(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cn1 ZINC001209544519 1372133105 /nfs/dbraw/zinc/13/31/05/1372133105.db2.gz LIMKWCUVWCACBQ-AWQFTUOYSA-N -1 1 348.391 3.232 20 30 EGEDMM O=c1[n-]c(=S)[nH]c(Nc2nccs2)c1N=Cc1ccccc1 ZINC001210990290 1372467136 /nfs/dbraw/zinc/46/71/36/1372467136.db2.gz ANUXKYNHLLXAIJ-LZYBPNLTSA-N -1 1 329.410 3.422 20 30 EGEDMM Cc1c([C@@H](C)O/C(=N\[O-])c2ccccc2Br)cnn1C ZINC001223885535 1375047180 /nfs/dbraw/zinc/04/71/80/1375047180.db2.gz QSXNQLKKTDGHOW-BXWLNTHASA-N -1 1 338.205 3.405 20 30 EGEDMM C=CCc1c([O-])ccc(C(C)=O)c1OC1CC(CC(=O)OCC)C1 ZINC001227120633 1375394332 /nfs/dbraw/zinc/39/43/32/1375394332.db2.gz PHQULSJXRDGILO-UHFFFAOYSA-N -1 1 332.396 3.434 20 30 EGEDMM CCCCOC[C@H](C)OC[C@H](C)Oc1ccc([O-])c(C#N)c1C#N ZINC001227622137 1375455669 /nfs/dbraw/zinc/45/56/69/1375455669.db2.gz JDLRDSWSVWOSMV-KBPBESRZSA-N -1 1 332.400 3.125 20 30 EGEDMM C#C[C@H]1CCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228112030 1375519062 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EGEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCc2cc(C(C)C)no2)n1 ZINC001157993287 1381095430 /nfs/dbraw/zinc/09/54/30/1381095430.db2.gz QBOLELLUUPBJSC-OMCISZLKSA-N -1 1 341.824 3.384 20 30 EGEDMM CSc1nc(Cl)c(/C=N/[O-])c(NCc2ccc(C#N)s2)n1 ZINC001159174543 1381715839 /nfs/dbraw/zinc/71/58/39/1381715839.db2.gz ZQNSBGFKMZDQEA-OMCISZLKSA-N -1 1 339.833 3.205 20 30 EGEDMM CCOC(=O)c1cccc([N+](=O)[O-])c1[N-][C@H](C#N)c1ccccc1 ZINC001161717559 1382488017 /nfs/dbraw/zinc/48/80/17/1382488017.db2.gz CLCLUKHZCCDFFW-CQSZACIVSA-N -1 1 325.324 3.448 20 30 EGEDMM N#CC[C@H](C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccccc1 ZINC001168915613 1384058480 /nfs/dbraw/zinc/05/84/80/1384058480.db2.gz YKNJIUMVUHOSFX-KRWDZBQOSA-N -1 1 332.363 3.214 20 30 EGEDMM Cc1c(Nc2[nH]c(=S)[n-]c(=O)c2N=Cc2ccccc2)cnn1C ZINC001174388969 1385104434 /nfs/dbraw/zinc/10/44/34/1385104434.db2.gz VOMAQQBPCJZWSA-CAOOACKPSA-N -1 1 340.412 3.007 20 30 EGEDMM CCOC(=O)c1cc(C#N)c(Nc2c(F)cc([O-])cc2F)c(C)c1O ZINC001175097689 1385194255 /nfs/dbraw/zinc/19/42/55/1385194255.db2.gz UJHCKZNLGJMYFL-UHFFFAOYSA-N -1 1 348.305 3.476 20 30 EGEDMM C#Cc1cccc(N(C(=S)[N-]C(=O)OC)c2ccccc2N)c1 ZINC001175978573 1385451081 /nfs/dbraw/zinc/45/10/81/1385451081.db2.gz MEQOSGCFWQWBAT-UHFFFAOYSA-N -1 1 325.393 3.029 20 30 EGEDMM N#Cc1ccc(C(=O)N2CC(Cc3c(F)cccc3Cl)C2)cc1[O-] ZINC001320608303 1386664611 /nfs/dbraw/zinc/66/46/11/1386664611.db2.gz XUBVCCPDURKTGT-UHFFFAOYSA-N -1 1 344.773 3.371 20 30 EGEDMM CC(C)c1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1nccn1C ZINC001342268100 1390593468 /nfs/dbraw/zinc/59/34/68/1390593468.db2.gz KIEGZARSLJXIGO-OAHLLOKOSA-N -1 1 333.395 3.219 20 30 EGEDMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N1CCCO[C@H](C)C1 ZINC001342358691 1390604930 /nfs/dbraw/zinc/60/49/30/1390604930.db2.gz LLUQGQRIYJNDCF-GFCCVEGCSA-N -1 1 348.834 3.105 20 30 EGEDMM Cc1cc(C([O-])=C(C#N)c2cccc(F)n2)c2cnn(C(C)C)c2n1 ZINC001342575163 1390628195 /nfs/dbraw/zinc/62/81/95/1390628195.db2.gz NLVMALSVFKYSRI-CYBMUJFWSA-N -1 1 337.358 3.345 20 30 EGEDMM C=C1CCN(c2nnc(-c3ccc(Cl)cc3[O-])n2CCOC)CC1 ZINC001343166511 1390696852 /nfs/dbraw/zinc/69/68/52/1390696852.db2.gz TUBKOYHOAUVAFY-UHFFFAOYSA-N -1 1 348.834 3.107 20 30 EGEDMM C#CCOc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000823856361 1428378409 /nfs/dbraw/zinc/37/84/09/1428378409.db2.gz PPJPUQLDPOZDPP-UHFFFAOYSA-N -1 1 339.786 3.144 20 30 EGEDMM C=CCOc1cccc(CNc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000823932303 1428693209 /nfs/dbraw/zinc/69/32/09/1428693209.db2.gz TYNRBRLGGRAMDS-UHFFFAOYSA-N -1 1 337.383 3.052 20 30 EGEDMM O=C(C=Cc1nc(Cl)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403471 1429317758 /nfs/dbraw/zinc/31/77/58/1429317758.db2.gz TUCGPNVFUJMBNN-ARJAWSKDSA-N -1 1 335.751 3.012 20 30 EGEDMM CC[C@@H]1C[C@H](CN=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CCO1 ZINC000825181730 1429656925 /nfs/dbraw/zinc/65/69/25/1429656925.db2.gz FXCPHJWYLJGDBO-ZYHUDNBSSA-N -1 1 334.811 3.123 20 30 EGEDMM C[C@@H](N=Cc1cc2ccccc2[nH]c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820308910 1429662071 /nfs/dbraw/zinc/66/20/71/1429662071.db2.gz ZKZZMBAZJILPJN-ZICWZVMQSA-N -1 1 344.378 3.301 20 30 EGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CCC[C@@H]2c2ccc(F)cc2)o1 ZINC000737466845 1425486271 /nfs/dbraw/zinc/48/62/71/1425486271.db2.gz FAALBXCXSQKRPI-GFCCVEGCSA-N -1 1 341.350 3.038 20 30 EGEDMM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1F ZINC000826286282 1425936159 /nfs/dbraw/zinc/93/61/59/1425936159.db2.gz XMCCWUIZJIGEJD-DAXSKMNVSA-N -1 1 326.306 3.349 20 30 EGEDMM CC(N=Nc1c(F)cccc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953497 1426676516 /nfs/dbraw/zinc/67/65/16/1426676516.db2.gz CQVMVONOXWGTQR-UHFFFAOYSA-N -1 1 332.289 3.120 20 30 EGEDMM N#Cc1cccc(SCCCOc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822836932 1427227438 /nfs/dbraw/zinc/22/74/38/1427227438.db2.gz BAPIIQKHADHERZ-UHFFFAOYSA-N -1 1 337.408 3.300 20 30 EGEDMM C=C(C)CN(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823873226 1427602940 /nfs/dbraw/zinc/60/29/40/1427602940.db2.gz KBSCEDJHVKDDSC-UHFFFAOYSA-N -1 1 349.394 3.307 20 30 EGEDMM CCCCCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736448163 1427619147 /nfs/dbraw/zinc/61/91/47/1427619147.db2.gz KSLPODRGIREPBF-UHFFFAOYSA-N -1 1 330.436 3.084 20 30 EGEDMM N#Cc1ccc(F)c(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c1 ZINC000826385541 1428090020 /nfs/dbraw/zinc/09/00/20/1428090020.db2.gz QHJPAJLDUMCBFG-UHFFFAOYSA-N -1 1 345.341 3.038 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCCCCC1 ZINC000735418945 1429892555 /nfs/dbraw/zinc/89/25/55/1429892555.db2.gz MFKQQDKKUAJJBD-UHFFFAOYSA-N -1 1 339.443 3.352 20 30 EGEDMM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403558 1441810109 /nfs/dbraw/zinc/81/01/09/1441810109.db2.gz VUBAWYGHKLWCAR-SREVYHEPSA-N -1 1 348.391 3.010 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NCc2cnc(C(C)C)s2)o1 ZINC000820202981 1441930131 /nfs/dbraw/zinc/93/01/31/1441930131.db2.gz NIUGSKRVJSWFGZ-UHFFFAOYSA-N -1 1 346.420 3.004 20 30 EGEDMM C=CC[C@H](C)NC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735409676 1442475429 /nfs/dbraw/zinc/47/54/29/1442475429.db2.gz IKSBRLDQSMMOFE-ZDUSSCGKSA-N -1 1 348.410 3.305 20 30 EGEDMM CCCCC[C@@H](CC)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000825266388 1443260441 /nfs/dbraw/zinc/26/04/41/1443260441.db2.gz FQRBKLUZKRPGHK-GFCCVEGCSA-N -1 1 326.404 3.283 20 30 EGEDMM Cc1cc(C)c2c(c1)OCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826263788 1446081088 /nfs/dbraw/zinc/08/10/88/1446081088.db2.gz QRFYFCRWFCRZHV-NTEUORMPSA-N -1 1 332.363 3.142 20 30 EGEDMM CCN(C)c1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821164406 1446863224 /nfs/dbraw/zinc/86/32/24/1446863224.db2.gz DSCORYVNOLGCPY-GHXNOFRVSA-N -1 1 333.395 3.219 20 30 EGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2CCC[C@H]2c2ccc(F)cc2)o1 ZINC000737466846 1447261446 /nfs/dbraw/zinc/26/14/46/1447261446.db2.gz FAALBXCXSQKRPI-LBPRGKRZSA-N -1 1 341.350 3.038 20 30 EGEDMM N#CCOc1ccc(Cl)cc1CN[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001594610192 956199922 /nfs/dbraw/zinc/19/99/22/956199922.db2.gz SITVMHHYUOUSQK-INIZCTEOSA-N -1 1 348.761 3.297 20 30 EGEDMM C[C@@H](CCO)N(Cc1ccccc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001592529837 978390975 /nfs/dbraw/zinc/39/09/75/978390975.db2.gz GSMXLWPEPIVSTJ-HNNXBMFYSA-N -1 1 338.407 3.030 20 30 EGEDMM C=C(Br)CN[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905404227 981118880 /nfs/dbraw/zinc/11/88/80/981118880.db2.gz UCMSMWTYSWLJFP-SNVBAGLBSA-N -1 1 338.123 3.329 20 30 EGEDMM CN(Cc1cccc(C(=O)[O-])c1Cl)C[C@H](O)c1cccc(C#N)c1 ZINC001598527692 992741395 /nfs/dbraw/zinc/74/13/95/992741395.db2.gz SDWWHEUSQYFJJU-INIZCTEOSA-N -1 1 344.798 3.075 20 30 EGEDMM C[C@H](c1ccccc1)N1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001593714253 996229001 /nfs/dbraw/zinc/22/90/01/996229001.db2.gz VTFQVMWTKCELOF-OXQOHEQNSA-N -1 1 349.434 3.063 20 30 EGEDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(C#N)cc1OC(F)F ZINC001594207473 998799395 /nfs/dbraw/zinc/79/93/95/998799395.db2.gz DBUPNUYSQJQNQT-GNXNZQSNSA-N -1 1 338.354 3.233 20 30 EGEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000103717500 219321524 /nfs/dbraw/zinc/32/15/24/219321524.db2.gz LDGPCDPSZVGYDR-CYBMUJFWSA-N -1 1 348.387 3.166 20 30 EGEDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccn1 ZINC000079051773 217183503 /nfs/dbraw/zinc/18/35/03/217183503.db2.gz UJSFBTSGBKTPJF-UHFFFAOYSA-N -1 1 341.314 3.081 20 30 EGEDMM N#Cc1cccc(NC(=O)Cn2c(=S)[n-]nc2-c2cccs2)c1 ZINC000011372867 211215698 /nfs/dbraw/zinc/21/56/98/211215698.db2.gz HVFXFEBLFCPLQJ-UHFFFAOYSA-N -1 1 341.421 3.180 20 30 EGEDMM CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189269746 266390405 /nfs/dbraw/zinc/39/04/05/266390405.db2.gz MIRNWKXULBDUEB-HXUWFJFHSA-N -1 1 338.407 3.067 20 30 EGEDMM CCCNc1ccc(C#N)cc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000495026868 267025608 /nfs/dbraw/zinc/02/56/08/267025608.db2.gz RBBYZRDBFOFVAY-UHFFFAOYSA-N -1 1 341.440 3.085 20 30 EGEDMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435759556 267028426 /nfs/dbraw/zinc/02/84/26/267028426.db2.gz LDIPDGUFYLSGSI-UHFFFAOYSA-N -1 1 330.409 3.456 20 30 EGEDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1OC(C)C ZINC000447274975 268039833 /nfs/dbraw/zinc/03/98/33/268039833.db2.gz QZQYPOTYUPPARD-UHFFFAOYSA-N -1 1 330.409 3.455 20 30 EGEDMM N#Cc1ccc(C(=O)NCC2(c3c(F)cccc3F)CCC2)cc1[O-] ZINC000412634245 268197656 /nfs/dbraw/zinc/19/76/56/268197656.db2.gz YOQPOFAANHXYQM-UHFFFAOYSA-N -1 1 342.345 3.394 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000331240058 268206031 /nfs/dbraw/zinc/20/60/31/268206031.db2.gz WNFBPJLXNUUUFO-BDAKNGLRSA-N -1 1 338.376 3.019 20 30 EGEDMM COc1cc(C#N)ccc1OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000350809606 324122197 /nfs/dbraw/zinc/12/21/97/324122197.db2.gz AUNZXVPTOCLVOS-UHFFFAOYSA-N -1 1 341.298 3.041 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC000157866664 455241747 /nfs/dbraw/zinc/24/17/47/455241747.db2.gz GECYZMOGTYFORY-UHFFFAOYSA-N -1 1 340.326 3.464 20 30 EGEDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1OCC ZINC000007927784 453135253 /nfs/dbraw/zinc/13/52/53/453135253.db2.gz LQWVXSUEVLUMAG-UHFFFAOYSA-N -1 1 346.408 3.156 20 30 EGEDMM Cc1ncc(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)o1 ZINC000029433220 453828994 /nfs/dbraw/zinc/82/89/94/453828994.db2.gz OCXIEFVDVSZIGB-UHFFFAOYSA-N -1 1 339.376 3.323 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3oc(C4CC4)nc3c2)cc1 ZINC000032097290 453864393 /nfs/dbraw/zinc/86/43/93/453864393.db2.gz JWASQIMVUYUUDY-UHFFFAOYSA-N -1 1 339.376 3.378 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)[C@H](C)S3)n1 ZINC000041521651 453970217 /nfs/dbraw/zinc/97/02/17/453970217.db2.gz MOVLCOJIXWVSGE-GXSJLCMTSA-N -1 1 343.433 3.374 20 30 EGEDMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc(C)cc(C)c2)n1 ZINC000067895416 453977941 /nfs/dbraw/zinc/97/79/41/453977941.db2.gz HYAIQGHZVPQNBD-CYBMUJFWSA-N -1 1 328.393 3.427 20 30 EGEDMM N#CCCCOc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1 ZINC000055640097 454001754 /nfs/dbraw/zinc/00/17/54/454001754.db2.gz OQWVXMPSPFBQQE-UHFFFAOYSA-N -1 1 341.392 3.042 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(OC[C@H]3CCCO3)c2)n1 ZINC000078734423 454309562 /nfs/dbraw/zinc/30/95/62/454309562.db2.gz LGDAUWQYZCMKNW-HZPDHXFCSA-N -1 1 342.420 3.499 20 30 EGEDMM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000061889755 454361757 /nfs/dbraw/zinc/36/17/57/454361757.db2.gz ZWKLVQCYWGJZIO-RNFRBKRXSA-N -1 1 325.242 3.025 20 30 EGEDMM C[S@](=O)c1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)cc1 ZINC000047375464 454365296 /nfs/dbraw/zinc/36/52/96/454365296.db2.gz YCXZCSLIRSNYSY-UPCLLVRISA-N -1 1 334.400 3.462 20 30 EGEDMM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc(C4CC4)oc3c2)c1 ZINC000080311404 454565149 /nfs/dbraw/zinc/56/51/49/454565149.db2.gz FTVRVVWAEGSPBT-UHFFFAOYSA-N -1 1 339.376 3.378 20 30 EGEDMM N#CC(C(=O)Nc1ccccn1)=C([O-])c1csc(-c2ccccc2)n1 ZINC000103717503 454565125 /nfs/dbraw/zinc/56/51/25/454565125.db2.gz LDGPCDPSZVGYDR-ZDUSSCGKSA-N -1 1 348.387 3.166 20 30 EGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(C(=O)N(C)C)c2)n1 ZINC000080455929 454584037 /nfs/dbraw/zinc/58/40/37/454584037.db2.gz WDNPJIQIDGMPGK-AWEZNQCLSA-N -1 1 341.436 3.458 20 30 EGEDMM C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000111236214 454859124 /nfs/dbraw/zinc/85/91/24/454859124.db2.gz DIPIZQCKTPQBJG-OAHLLOKOSA-N -1 1 344.480 3.489 20 30 EGEDMM N#CCCN(Cc1cccnc1)C(=O)c1ccc2ccccc2c1[O-] ZINC000126310658 454884977 /nfs/dbraw/zinc/88/49/77/454884977.db2.gz YMBKZJUCETVTCQ-UHFFFAOYSA-N -1 1 331.375 3.496 20 30 EGEDMM CCOCc1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000114673960 454968051 /nfs/dbraw/zinc/96/80/51/454968051.db2.gz HBRNKWZJRVKEEV-UHFFFAOYSA-N -1 1 330.409 3.204 20 30 EGEDMM CC(C)(C)OC(=O)Cc1ccccc1/N=C/c1ccc(O)c([O-])c1O ZINC000266685187 455436612 /nfs/dbraw/zinc/43/66/12/455436612.db2.gz BYHCZJGSAYHCQA-RGVLZGJSSA-N -1 1 343.379 3.438 20 30 EGEDMM Cn1cc(/C=C/C(=O)c2cc(O)ccc2[O-])c(-c2ccc(C#N)cc2)n1 ZINC000182293709 455481880 /nfs/dbraw/zinc/48/18/80/455481880.db2.gz AMHHPPGFZAWNBX-SOFGYWHQSA-N -1 1 345.358 3.266 20 30 EGEDMM O=C([N-]Cc1ccc(COCC(F)(F)F)cc1)C(F)(F)C(F)F ZINC000175835605 455503554 /nfs/dbraw/zinc/50/35/54/455503554.db2.gz BBNNRYYPWKIKER-UHFFFAOYSA-N -1 1 347.230 3.282 20 30 EGEDMM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(C#N)c([O-])c3)nc2c1 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C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C=C(C)C(C)(C)C ZINC000819744163 1425901037 /nfs/dbraw/zinc/90/10/37/1425901037.db2.gz YMCGNGKAACYRSI-SDNWHVSQSA-N -1 1 339.443 3.374 20 30 EGEDMM Fc1ccc(C#CCOc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822765922 1426249536 /nfs/dbraw/zinc/24/95/36/1426249536.db2.gz BHTZPDIORNROIB-UHFFFAOYSA-N -1 1 328.734 3.090 20 30 EGEDMM COc1ccc(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826190190 1427392880 /nfs/dbraw/zinc/39/28/80/1427392880.db2.gz SOKGIWQBYMWHQV-ALCCZGGFSA-N -1 1 338.342 3.219 20 30 EGEDMM C=CCCOCCCCC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000823898783 1427666027 /nfs/dbraw/zinc/66/60/27/1427666027.db2.gz BAAHTSJRYUEKLE-UHFFFAOYSA-N -1 1 349.460 3.247 20 30 EGEDMM Cc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(C)c1O ZINC000826266535 1428200766 /nfs/dbraw/zinc/20/07/66/1428200766.db2.gz RUCZHALYKQHPOM-ONEGZZNKSA-N -1 1 326.381 3.147 20 30 EGEDMM C[C@@H](Nc1cc(-c2nnn[n-]2)c2ccccc2n1)c1ccc(C#N)cc1 ZINC000736140690 1430108985 /nfs/dbraw/zinc/10/89/85/1430108985.db2.gz 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C[C@H]1C[C@H]1c1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)o1 ZINC000824897828 1430125221 /nfs/dbraw/zinc/12/52/21/1430125221.db2.gz BNOIHFHNJVRNGV-GZMMTYOYSA-N -1 1 343.778 3.078 20 30 EGEDMM c1ccc(C(C[C@@H]2CCOC2)=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826520545 1430192054 /nfs/dbraw/zinc/19/20/54/1430192054.db2.gz LTBGZSXRBOXEDY-AWEZNQCLSA-N -1 1 348.410 3.110 20 30 EGEDMM CC#CCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccc(F)c1 ZINC000735447193 1441454343 /nfs/dbraw/zinc/45/43/43/1441454343.db2.gz CNQCQEPKPJTZQU-UHFFFAOYSA-N -1 1 335.386 3.031 20 30 EGEDMM CCC(CC)CN(CCC#N)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000820893046 1441880104 /nfs/dbraw/zinc/88/01/04/1441880104.db2.gz INIVTFVWZAMDDW-UHFFFAOYSA-N -1 1 330.411 3.158 20 30 EGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CSc2c(F)cccc21 ZINC000823503832 1441990233 /nfs/dbraw/zinc/99/02/33/1441990233.db2.gz JHYIOFVZVKPMKC-SOFGYWHQSA-N -1 1 344.396 3.439 20 30 EGEDMM Cn1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c2ccccc21 ZINC000737601864 1442137784 /nfs/dbraw/zinc/13/77/84/1442137784.db2.gz FMFRSDBUZFQVLI-FLIBITNWSA-N -1 1 329.363 3.255 20 30 EGEDMM C=CCCCN(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000823894838 1443421346 /nfs/dbraw/zinc/42/13/46/1443421346.db2.gz XUTNTPQUFNPQPD-UHFFFAOYSA-N -1 1 336.237 3.027 20 30 EGEDMM C=CCCCN(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000823894838 1443421348 /nfs/dbraw/zinc/42/13/48/1443421348.db2.gz XUTNTPQUFNPQPD-UHFFFAOYSA-N -1 1 336.237 3.027 20 30 EGEDMM C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000824532717 1443523325 /nfs/dbraw/zinc/52/33/25/1443523325.db2.gz WTIKMVLMFCAMRY-VXGBXAGGSA-N -1 1 336.374 3.289 20 30 EGEDMM C[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824532717 1443523328 /nfs/dbraw/zinc/52/33/28/1443523328.db2.gz WTIKMVLMFCAMRY-VXGBXAGGSA-N -1 1 336.374 3.289 20 30 EGEDMM C[C@@H]1C(=NNCc2ccc(-c3nnn[n-]3)cc2)C[C@H]1c1ccccc1 ZINC000820642338 1443835514 /nfs/dbraw/zinc/83/55/14/1443835514.db2.gz IAHRFRYDQCMHJE-SUMWQHHRSA-N -1 1 332.411 3.136 20 30 EGEDMM C=C(C)CN(C)C(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823873686 1443985119 /nfs/dbraw/zinc/98/51/19/1443985119.db2.gz PHBGRYTWNCIGOC-UHFFFAOYSA-N -1 1 348.410 3.258 20 30 EGEDMM Cc1cc2c(cc1C)C(=NNc1ccc(-c3nnn[n-]3)cc1)CCCO2 ZINC000737285736 1444009999 /nfs/dbraw/zinc/00/99/99/1444009999.db2.gz UBPXRZBDXAXKIH-UHFFFAOYSA-N -1 1 348.410 3.472 20 30 EGEDMM C#Cc1cccc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000819710189 1446408114 /nfs/dbraw/zinc/40/81/14/1446408114.db2.gz YUMGHLYHWHKMLF-UHFFFAOYSA-N -1 1 341.321 3.062 20 30 EGEDMM Brc1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC000819688138 1446886158 /nfs/dbraw/zinc/88/61/58/1446886158.db2.gz DPXNZBHUZAGJRT-UHFFFAOYSA-N -1 1 349.217 3.137 20 30 EGEDMM CC(C)c1ncc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)s1 ZINC000824364569 1446954098 /nfs/dbraw/zinc/95/40/98/1446954098.db2.gz LWTABYNBAOIHGZ-ONEGZZNKSA-N -1 1 331.426 3.404 20 30 EGEDMM CC(Cc1cccc(F)c1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824457012 1447190021 /nfs/dbraw/zinc/19/00/21/1447190021.db2.gz CMAFHYFZBIDPTL-UHFFFAOYSA-N -1 1 345.769 3.085 20 30 EGEDMM CCOc1ccc(O)c(C=Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821427005 1447332393 /nfs/dbraw/zinc/33/23/93/1447332393.db2.gz MALXYFLLSXZJKO-UHFFFAOYSA-N -1 1 343.774 3.375 20 30 EGEDMM C=CCCCCCCCCNC(=O)Nc1cccc(-c2nnn[n-]2)n1 ZINC001573334506 947457245 /nfs/dbraw/zinc/45/72/45/947457245.db2.gz FBARCSLABSHGAT-UHFFFAOYSA-N -1 1 343.435 3.300 20 30 EGEDMM C=CCCCCCCCCNC(=O)Nc1cccc(-c2nn[n-]n2)n1 ZINC001573334506 947457252 /nfs/dbraw/zinc/45/72/52/947457252.db2.gz FBARCSLABSHGAT-UHFFFAOYSA-N -1 1 343.435 3.300 20 30 EGEDMM COc1cc(C(=O)[O-])ccc1NN=Cc1nccn1-c1ccccc1 ZINC000790170652 978798522 /nfs/dbraw/zinc/79/85/22/978798522.db2.gz CIAUHIDHZVBHEX-UHFFFAOYSA-N -1 1 336.351 3.025 20 30 EGEDMM O=C([O-])c1ccc(N=NCc2c(F)cccc2Br)nc1 ZINC000794526780 978812750 /nfs/dbraw/zinc/81/27/50/978812750.db2.gz WIABAHHAEOQSON-UHFFFAOYSA-N -1 1 338.136 3.127 20 30 EGEDMM C=CC[C@H]1CCCN(CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C1 ZINC001588770813 984136144 /nfs/dbraw/zinc/13/61/44/984136144.db2.gz HVGVIFXXEPKXQO-ZDUSSCGKSA-N -1 1 336.457 3.290 20 30 EGEDMM COCCCOc1cccc(CN=Nc2cccc(F)c2C(=O)[O-])c1 ZINC001599228581 997804002 /nfs/dbraw/zinc/80/40/02/997804002.db2.gz MHOVNLCYRDFEIO-UHFFFAOYSA-N -1 1 346.358 3.385 20 30 EGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OCC2CC2)cc1 ZINC000055192937 214285705 /nfs/dbraw/zinc/28/57/05/214285705.db2.gz ZUQKDSLELRTSPL-UHFFFAOYSA-N -1 1 326.278 3.249 20 30 EGEDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(OC(F)(F)F)cc1 ZINC000036714196 213111740 /nfs/dbraw/zinc/11/17/40/213111740.db2.gz ILFGLNRMYOFQHB-UHFFFAOYSA-N -1 1 340.183 3.358 20 30 EGEDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)[nH]n1 ZINC000435725581 270051271 /nfs/dbraw/zinc/05/12/71/270051271.db2.gz YSEJXLXYFHASDJ-NSHDSACASA-N -1 1 332.429 3.294 20 30 EGEDMM N#Cc1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(F)c1 ZINC000493281185 270058623 /nfs/dbraw/zinc/05/86/23/270058623.db2.gz ONEDJIXUFQRTJH-UHFFFAOYSA-N -1 1 333.369 3.108 20 30 EGEDMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427100926 267029210 /nfs/dbraw/zinc/02/92/10/267029210.db2.gz ABWASKLMFFPKOW-UHFFFAOYSA-N -1 1 334.372 3.287 20 30 EGEDMM C[C@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccc(Cl)cc1 ZINC000188594647 267161178 /nfs/dbraw/zinc/16/11/78/267161178.db2.gz WGEFQRFVTRGMAF-LLVKDONJSA-N -1 1 330.771 3.115 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@H]2CCOc3c(Cl)cccc32)cc1[O-] ZINC000190985833 268046471 /nfs/dbraw/zinc/04/64/71/268046471.db2.gz MZSZXDGYARMZJH-AWEZNQCLSA-N -1 1 328.755 3.171 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000451667860 268255927 /nfs/dbraw/zinc/25/59/27/268255927.db2.gz ZFXZRDKTYZGQFY-HOCLYGCPSA-N -1 1 330.409 3.013 20 30 EGEDMM CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000188090543 281295340 /nfs/dbraw/zinc/29/53/40/281295340.db2.gz KNPAAWUYCCSPRT-GOSISDBHSA-N -1 1 336.391 3.256 20 30 EGEDMM CC(C)c1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553869008 315285820 /nfs/dbraw/zinc/28/58/20/315285820.db2.gz INDCICJQSAPNNY-CYBMUJFWSA-N -1 1 332.425 3.184 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)cc1[O-] ZINC000581759530 325388537 /nfs/dbraw/zinc/38/85/37/325388537.db2.gz OMCNMVDHKVCLAK-IBGZPJMESA-N -1 1 348.402 3.088 20 30 EGEDMM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-c2ncco2)cc1 ZINC000157717084 455223985 /nfs/dbraw/zinc/22/39/85/455223985.db2.gz JCFNSIKEGOXTCN-UHFFFAOYSA-N -1 1 339.376 3.323 20 30 EGEDMM CN(Cc1ccccc1Br)C(=O)c1ccc(C#N)c([O-])c1 ZINC000189834384 455244926 /nfs/dbraw/zinc/24/49/26/455244926.db2.gz WKCRMOKNMZLQBZ-UHFFFAOYSA-N -1 1 345.196 3.299 20 30 EGEDMM C=CCCSCC[N-]S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000594816345 459158394 /nfs/dbraw/zinc/15/83/94/459158394.db2.gz ANAGXCSHAVXGLN-UHFFFAOYSA-N -1 1 329.418 3.160 20 30 EGEDMM N#CC(=C([O-])c1ccc2ccccc2n1)c1nnc2n1CCCCC2 ZINC000041509880 453969802 /nfs/dbraw/zinc/96/98/02/453969802.db2.gz CIQQMPCCIOYGPW-CQSZACIVSA-N -1 1 331.379 3.043 20 30 EGEDMM Cc1csc(C(C#N)=C([O-])c2cccc(NC(=O)NC(C)C)c2)n1 ZINC000041515191 453970077 /nfs/dbraw/zinc/97/00/77/453970077.db2.gz IEPAKAOYWRRLJK-CQSZACIVSA-N -1 1 342.424 3.472 20 30 EGEDMM COc1ccc(C(=O)Nc2cccc(OCCCC#N)c2)c([O-])c1 ZINC000055568073 453995281 /nfs/dbraw/zinc/99/52/81/453995281.db2.gz ABUWRFAJVSZILE-UHFFFAOYSA-N -1 1 326.352 3.336 20 30 EGEDMM O=C([N-]c1n[nH]c(-c2ccco2)n1)c1cc(-c2ccccc2F)on1 ZINC000073772659 454480678 /nfs/dbraw/zinc/48/06/78/454480678.db2.gz MRRMSVGCVHQEJU-UHFFFAOYSA-N -1 1 339.286 3.495 20 30 EGEDMM CC(C)OCCS(=O)(=O)[N-]c1ccccc1SC[C@@H](C)C#N ZINC000176469126 454749586 /nfs/dbraw/zinc/74/95/86/454749586.db2.gz VYSNLQBNOHVGJP-ZDUSSCGKSA-N -1 1 342.486 3.105 20 30 EGEDMM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000125283450 454810471 /nfs/dbraw/zinc/81/04/71/454810471.db2.gz DAJHIHJVLSFVLA-UHFFFAOYSA-N -1 1 345.424 3.108 20 30 EGEDMM COc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000170708277 454961720 /nfs/dbraw/zinc/96/17/20/454961720.db2.gz FXBZAWGPVCKRDU-UHFFFAOYSA-N -1 1 336.800 3.330 20 30 EGEDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2C)cc1 ZINC000179028625 455000630 /nfs/dbraw/zinc/00/06/30/455000630.db2.gz XBCXXZQAPVPPRB-UHFFFAOYSA-N -1 1 343.408 3.016 20 30 EGEDMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1C ZINC000172590088 455163655 /nfs/dbraw/zinc/16/36/55/455163655.db2.gz DVLCOCKJNQJZCN-UHFFFAOYSA-N -1 1 330.409 3.293 20 30 EGEDMM CC(=O)Nc1cc(C([O-])=C(C#N)c2cnc3ccccc3n2)ccc1C ZINC000190953436 455414042 /nfs/dbraw/zinc/41/40/42/455414042.db2.gz JEVMKESWJCIIEW-HNNXBMFYSA-N -1 1 344.374 3.387 20 30 EGEDMM CC1(C)CCCN(C(=O)c2cc(Br)ccc2[O-])[C@@H]1C#N ZINC000277750307 455655151 /nfs/dbraw/zinc/65/51/51/455655151.db2.gz CASXWWSARGROTF-CYBMUJFWSA-N -1 1 337.217 3.309 20 30 EGEDMM N#CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000193358579 455754771 /nfs/dbraw/zinc/75/47/71/455754771.db2.gz NJIJUFVSRUDKAQ-UHFFFAOYSA-N -1 1 326.421 3.432 20 30 EGEDMM N#Cc1c(F)cccc1Oc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000301848019 456231059 /nfs/dbraw/zinc/23/10/59/456231059.db2.gz NSZYJRDOZXFTBP-UHFFFAOYSA-N -1 1 347.309 3.324 20 30 EGEDMM C[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)CC([O-])=N1 ZINC000329355203 456878799 /nfs/dbraw/zinc/87/87/99/456878799.db2.gz VPYVTNUOGGXGLC-ZYHUDNBSSA-N -1 1 340.387 3.018 20 30 EGEDMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000341882543 456985495 /nfs/dbraw/zinc/98/54/95/456985495.db2.gz CTCPNOWLDGWYPF-QFYYESIMSA-N -1 1 348.811 3.012 20 30 EGEDMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000341882544 456985765 /nfs/dbraw/zinc/98/57/65/456985765.db2.gz CTCPNOWLDGWYPF-QLJPJBMISA-N -1 1 348.811 3.012 20 30 EGEDMM N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(F)cc3[O-])C2)c(F)c1 ZINC000342409146 457287875 /nfs/dbraw/zinc/28/78/75/457287875.db2.gz AFGRDQIPDDFSEL-LBPRGKRZSA-N -1 1 343.333 3.007 20 30 EGEDMM O=S(=O)([N-]CCC(F)(F)F)c1cc(C(F)(F)F)ccc1F ZINC000360845364 457382188 /nfs/dbraw/zinc/38/21/88/457382188.db2.gz KTRLEMJENPQZPT-UHFFFAOYSA-N -1 1 339.232 3.075 20 30 EGEDMM Cc1cc2cc([N-]S(=O)(=O)c3ccccc3CC#N)ccc2[nH]1 ZINC000355828424 457421444 /nfs/dbraw/zinc/42/14/44/457421444.db2.gz FKAWFWLNUDKWJE-UHFFFAOYSA-N -1 1 325.393 3.343 20 30 EGEDMM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000443282639 457653419 /nfs/dbraw/zinc/65/34/19/457653419.db2.gz ILHVGHVXFZYFFD-KRWDZBQOSA-N -1 1 326.371 3.400 20 30 EGEDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)cc1 ZINC000427105352 457944230 /nfs/dbraw/zinc/94/42/30/457944230.db2.gz XVCJVUZWTMPPIU-UHFFFAOYSA-N -1 1 334.372 3.285 20 30 EGEDMM C=CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000436517223 458321120 /nfs/dbraw/zinc/32/11/20/458321120.db2.gz YSUOLRRGTDUBON-HNNXBMFYSA-N -1 1 325.364 3.477 20 30 EGEDMM CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C#N)c2)cc1 ZINC000438802863 458615313 /nfs/dbraw/zinc/61/53/13/458615313.db2.gz DZGJXGRBIATWAC-UHFFFAOYSA-N -1 1 328.393 3.198 20 30 EGEDMM CN(C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-])C1(C#N)CCC1 ZINC000494474505 458685854 /nfs/dbraw/zinc/68/58/54/458685854.db2.gz XPJFPXFZGFOWDO-UHFFFAOYSA-N -1 1 345.399 3.257 20 30 EGEDMM N#CCc1ccccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000475798905 458965635 /nfs/dbraw/zinc/96/56/35/458965635.db2.gz PTKMHKNRKTYFNK-UHFFFAOYSA-N -1 1 326.421 3.432 20 30 EGEDMM CN(CCOc1ccccc1Cl)C(=O)c1ccc(C#N)c([O-])c1 ZINC000442893780 459056763 /nfs/dbraw/zinc/05/67/63/459056763.db2.gz BLHHOZQPVBIWLT-UHFFFAOYSA-N -1 1 330.771 3.068 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](Oc3ccc(Cl)cc3)C2)c1 ZINC000590520604 459142510 /nfs/dbraw/zinc/14/25/10/459142510.db2.gz KJQKOZSPKRNVKI-KRWDZBQOSA-N -1 1 342.782 3.211 20 30 EGEDMM C=CCCCCN1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000568068146 459221201 /nfs/dbraw/zinc/22/12/01/459221201.db2.gz FGCWTNBRQYNPHK-MRXNPFEDSA-N -1 1 333.428 3.434 20 30 EGEDMM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000559248026 459244745 /nfs/dbraw/zinc/24/47/45/459244745.db2.gz AKTLMFXUCPZBLL-UHFFFAOYSA-N -1 1 330.837 3.339 20 30 EGEDMM CCOc1ccc(C[C@@H](C)CNC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000590891633 459261332 /nfs/dbraw/zinc/26/13/32/459261332.db2.gz FHKLMPVOJSLLCZ-CQSZACIVSA-N -1 1 338.407 3.271 20 30 EGEDMM N#Cc1cc(C(=O)Nc2cccc([O-])c2F)cnc1C(F)(F)F ZINC000560343274 459327381 /nfs/dbraw/zinc/32/73/81/459327381.db2.gz AAEQAAWBCCDACX-UHFFFAOYSA-N -1 1 325.221 3.069 20 30 EGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cccc([S@@](C)=O)c2)n1 ZINC000613760225 459923056 /nfs/dbraw/zinc/92/30/56/459923056.db2.gz LPADJAAUIKMOGL-WHEQGISXSA-N -1 1 332.450 3.494 20 30 EGEDMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000588906276 460001339 /nfs/dbraw/zinc/00/13/39/460001339.db2.gz VDOAEQRQYDXRKX-UHFFFAOYSA-N -1 1 334.775 3.068 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)c1 ZINC000589170216 460043427 /nfs/dbraw/zinc/04/34/27/460043427.db2.gz HXHFJISRHKBNFN-SFHVURJKSA-N -1 1 338.363 3.074 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)c1 ZINC000589196113 460050383 /nfs/dbraw/zinc/05/03/83/460050383.db2.gz FELQNRQEUFPGQP-LJQANCHMSA-N -1 1 347.349 3.317 20 30 EGEDMM COc1cccc2sc(NC(=O)c3cc([O-])cc(C#N)c3)nc21 ZINC000614293464 460082991 /nfs/dbraw/zinc/08/29/91/460082991.db2.gz HWUBARCFGNLMSV-UHFFFAOYSA-N -1 1 325.349 3.134 20 30 EGEDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589587638 460106052 /nfs/dbraw/zinc/10/60/52/460106052.db2.gz MPHRTEXMOXOMEZ-UHFFFAOYSA-N -1 1 345.380 3.079 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(Br)cc2F)c1 ZINC000614357313 460112043 /nfs/dbraw/zinc/11/20/43/460112043.db2.gz ZWFTYNJPKWITCN-UHFFFAOYSA-N -1 1 335.132 3.418 20 30 EGEDMM CC(C)c1nc(-c2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)n[nH]1 ZINC000614364175 460114958 /nfs/dbraw/zinc/11/49/58/460114958.db2.gz RAIUCNZAUYZSDO-UHFFFAOYSA-N -1 1 347.378 3.425 20 30 EGEDMM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614367030 460115347 /nfs/dbraw/zinc/11/53/47/460115347.db2.gz DKGNZSRMONPKEZ-LBPRGKRZSA-N -1 1 334.379 3.124 20 30 EGEDMM 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C[C@@H](C#N)S(=O)(=O)[N-]c1cccc(Oc2cc(F)cc(F)c2)c1 ZINC001193157636 1367955800 /nfs/dbraw/zinc/95/58/00/1367955800.db2.gz GRMMCNZIORWCCB-JTQLQIEISA-N -1 1 338.335 3.411 20 30 EGEDMM C[C@H](C#N)S(=O)(=O)[N-]c1cc(Br)c2ccccc2c1 ZINC001193158962 1367957089 /nfs/dbraw/zinc/95/70/89/1367957089.db2.gz XHGZSLSNXJOIQA-SECBINFHSA-N -1 1 339.214 3.256 20 30 EGEDMM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)c(C#N)c2)c1 ZINC001195156385 1368389069 /nfs/dbraw/zinc/38/90/69/1368389069.db2.gz KIRQKGNKGAMMRC-UHFFFAOYSA-N -1 1 325.393 3.354 20 30 EGEDMM C=CCCCNC(=O)c1cc(I)c(C)cc1[O-] ZINC001196139116 1368556791 /nfs/dbraw/zinc/55/67/91/1368556791.db2.gz MQFGSLGKPWAZKL-UHFFFAOYSA-N -1 1 345.180 3.001 20 30 EGEDMM C[C@H](NC(=O)c1cc([O-])cc(-c2cccc(C#N)c2)c1)c1ccno1 ZINC001196329670 1368590894 /nfs/dbraw/zinc/59/08/94/1368590894.db2.gz WUBMGRHNGJKGHV-LBPRGKRZSA-N -1 1 333.347 3.410 20 30 EGEDMM N#Cc1cc(F)c([N-]C(=O)c2nccc(OC3CCC3)n2)c(Cl)c1 ZINC001199635692 1369248117 /nfs/dbraw/zinc/24/81/17/1369248117.db2.gz OAUGKADANAJBDF-UHFFFAOYSA-N -1 1 346.749 3.324 20 30 EGEDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(C)C#N)c2)cc1C#N ZINC001201317010 1369517300 /nfs/dbraw/zinc/51/73/00/1369517300.db2.gz LQYFRLVSFWHKMO-UHFFFAOYSA-N -1 1 339.420 3.469 20 30 EGEDMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)ccc2o1 ZINC001201317588 1369518210 /nfs/dbraw/zinc/51/82/10/1369518210.db2.gz VWZQHKIOGUJAJM-UHFFFAOYSA-N -1 1 327.365 3.117 20 30 EGEDMM CN1CCc2c(C#N)c(Nc3cc(F)c(C(=O)[O-])c(F)c3)sc2C1 ZINC001203316922 1370079667 /nfs/dbraw/zinc/07/96/67/1370079667.db2.gz YTXLIYUQBSGYEF-UHFFFAOYSA-N -1 1 349.362 3.328 20 30 EGEDMM N#CCc1ccc(S(=O)(=O)[N-]c2cccc3ccc(O)cc32)cc1 ZINC001116504490 1370925791 /nfs/dbraw/zinc/92/57/91/1370925791.db2.gz MAMIAWFDSGBEAH-UHFFFAOYSA-N -1 1 338.388 3.412 20 30 EGEDMM C=CCn1c(-c2cc(Cl)ncc2[O-])nnc1N1C[C@@H](C)C[C@H]1C ZINC001121675598 1372043092 /nfs/dbraw/zinc/04/30/92/1372043092.db2.gz JAZYOJFPINVZIM-WDEREUQCSA-N -1 1 333.823 3.120 20 30 EGEDMM CCCCCCCCS(=O)(=O)[N-]c1cc(F)cc2c1NC(=O)C2 ZINC001188018103 1388216759 /nfs/dbraw/zinc/21/67/59/1388216759.db2.gz TZSNSKYNNJDOGM-UHFFFAOYSA-N -1 1 342.436 3.423 20 30 EGEDMM CCC[C@H](O/C(=N\[O-])c1ccccc1Br)C(=O)OCC ZINC001223884107 1375046641 /nfs/dbraw/zinc/04/66/41/1375046641.db2.gz AYHJFFBZEZRBKH-OFEBGVABSA-N -1 1 344.205 3.333 20 30 EGEDMM C[C@@H](O/C(=N\[O-])c1ccccc1Br)C1CCOCC1 ZINC001223885575 1375046878 /nfs/dbraw/zinc/04/68/78/1375046878.db2.gz UDJTTXDMTSRKAA-UKNJIDDLSA-N -1 1 328.206 3.417 20 30 EGEDMM C=CCc1c([O-])ccc(C(C)=O)c1O[C@@H]1CCCC2(C1)OCCO2 ZINC001227123808 1375394175 /nfs/dbraw/zinc/39/41/75/1375394175.db2.gz YNINPWXCTBAECR-CQSZACIVSA-N -1 1 332.396 3.388 20 30 EGEDMM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cc([O-])cc2oc(=O)ccc12 ZINC001229129059 1375770162 /nfs/dbraw/zinc/77/01/62/1375770162.db2.gz HYPALUYBHXSHDX-GFCCVEGCSA-N -1 1 332.352 3.164 20 30 EGEDMM C[C@H](CS)Oc1cc([O-])ccc1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001229590475 1375862027 /nfs/dbraw/zinc/86/20/27/1375862027.db2.gz HHBIIESVIUKHQE-SZHMKSFOSA-N -1 1 346.404 3.397 20 30 EGEDMM N#Cc1c(F)cccc1C(=O)Nc1cccc([O-])c1Br ZINC001141219190 1378272091 /nfs/dbraw/zinc/27/20/91/1378272091.db2.gz STBUOFRNJOGFMP-UHFFFAOYSA-N -1 1 335.132 3.418 20 30 EGEDMM Cc1ccc(CN(C)C(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)cc1C ZINC001154556557 1380305680 /nfs/dbraw/zinc/30/56/80/1380305680.db2.gz SMPPOXKJMHHFMZ-UHFFFAOYSA-N -1 1 345.402 3.289 20 30 EGEDMM CC1(C)C[C@@H]1C(=O)Nc1[nH]c(=S)[n-]c(=O)c1N=Cc1ccccc1 ZINC001181297501 1386973358 /nfs/dbraw/zinc/97/33/58/1386973358.db2.gz IVQCMYSWNZLZMU-PBFYJAPKSA-N -1 1 342.424 3.206 20 30 EGEDMM O=S1(=O)[N-]/C(=N/[C@@H]2CC[C@H](c3cccc(F)c3)C2)c2ccccc21 ZINC001339660321 1390100167 /nfs/dbraw/zinc/10/01/67/1390100167.db2.gz WDSPEQHKNLQSJM-DZGCQCFKSA-N -1 1 344.411 3.201 20 30 EGEDMM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1cc(Cl)cc(Cl)c1 ZINC001344595224 1390802117 /nfs/dbraw/zinc/80/21/17/1390802117.db2.gz IQLLSKGTOOJYNH-YWVDXFKGSA-N -1 1 348.189 3.332 20 30 EGEDMM Cc1nn(C)c2nc(C3CC3)cc(C([O-])=C(C#N)c3cccc(F)n3)c12 ZINC001344605019 1390802785 /nfs/dbraw/zinc/80/27/85/1390802785.db2.gz ILLJHTBUGHKMIG-ZDUSSCGKSA-N -1 1 349.369 3.178 20 30 EGEDMM CC1(C)Cc2cc(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2O1 ZINC000736212819 1429542410 /nfs/dbraw/zinc/54/24/10/1429542410.db2.gz BTSUMJMDSWTPAX-OQFOIZHKSA-N -1 1 346.390 3.476 20 30 EGEDMM Cc1cccc(-c2n[nH]cc2C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826295445 1423446057 /nfs/dbraw/zinc/44/60/57/1423446057.db2.gz HYLMTZHUBYNRKO-UHFFFAOYSA-N -1 1 344.382 3.011 20 30 EGEDMM C=CCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC000735408469 1423639202 /nfs/dbraw/zinc/63/92/02/1423639202.db2.gz MBPQRNSXFJQPJW-UHFFFAOYSA-N -1 1 331.445 3.492 20 30 EGEDMM CCCCCCCCNC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825271117 1424183246 /nfs/dbraw/zinc/18/32/46/1424183246.db2.gz HAOBMPDXBLKKGR-UHFFFAOYSA-N -1 1 344.463 3.369 20 30 EGEDMM O=C(C=CC1=Cc2ccccc2OC1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400195 1424980737 /nfs/dbraw/zinc/98/07/37/1424980737.db2.gz RQMKWMGVOCARMW-WAYWQWQTSA-N -1 1 336.376 3.143 20 30 EGEDMM C=CCCOCCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823899221 1425064406 /nfs/dbraw/zinc/06/44/06/1425064406.db2.gz QNSKNOUUHGTBNX-UHFFFAOYSA-N -1 1 349.822 3.222 20 30 EGEDMM CC[C@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820842043 1425394019 /nfs/dbraw/zinc/39/40/19/1425394019.db2.gz ISUIZPNQJZDIDN-MRXNPFEDSA-N -1 1 348.366 3.069 20 30 EGEDMM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)s1 ZINC000826403612 1425516997 /nfs/dbraw/zinc/51/69/97/1425516997.db2.gz XDNCIPSFAITBHJ-VMPITWQZSA-N -1 1 343.437 3.160 20 30 EGEDMM CC(=NNc1cccc2cnccc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823963264 1425698452 /nfs/dbraw/zinc/69/84/52/1425698452.db2.gz ZZNQQOJQFOBYQS-UHFFFAOYSA-N -1 1 347.357 3.390 20 30 EGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC(CC2CCC2)c2ccccc2)o1 ZINC000826322793 1425837462 /nfs/dbraw/zinc/83/74/62/1425837462.db2.gz BOGICIVRKUIJIW-UHFFFAOYSA-N -1 1 337.387 3.170 20 30 EGEDMM C[C@H](Nc1cc(C#N)c2ccccc2n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736137254 1426262773 /nfs/dbraw/zinc/26/27/73/1426262773.db2.gz JGHYTSGKQZMCDS-LBPRGKRZSA-N -1 1 341.378 3.460 20 30 EGEDMM CC(C)c1ncc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000820206426 1426487028 /nfs/dbraw/zinc/48/70/28/1426487028.db2.gz JZOIUDVMAVDCTB-VOTSOKGWSA-N -1 1 325.397 3.343 20 30 EGEDMM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2s1 ZINC000822929293 1426507834 /nfs/dbraw/zinc/50/78/34/1426507834.db2.gz RWBCNDNIFJOAHD-ALCCZGGFSA-N -1 1 339.405 3.434 20 30 EGEDMM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(N3CCC(C)(C#N)CC3)c2c1 ZINC000826263762 1426643488 /nfs/dbraw/zinc/64/34/88/1426643488.db2.gz PKOAWTCWAYMFCQ-UHFFFAOYSA-N -1 1 347.426 3.162 20 30 EGEDMM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826177483 1426759306 /nfs/dbraw/zinc/75/93/06/1426759306.db2.gz KHTBQNCPOZYUEQ-TWGQIWQCSA-N -1 1 334.379 3.388 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC[C@@H](C)c2ccc(F)cc2)o1 ZINC000824352857 1426806342 /nfs/dbraw/zinc/80/63/42/1426806342.db2.gz PXOOUUIEGLUUKP-SNVBAGLBSA-N -1 1 343.366 3.319 20 30 EGEDMM O=C(C=Cc1cccc2cnccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000826400543 1427134377 /nfs/dbraw/zinc/13/43/77/1427134377.db2.gz BBZLCSHRMHEVCM-SNAWJCMRSA-N -1 1 333.376 3.373 20 30 EGEDMM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737098227 1430124323 /nfs/dbraw/zinc/12/43/23/1430124323.db2.gz RKYSVJJMUWQWCG-XBXARRHUSA-N -1 1 340.770 3.425 20 30 EGEDMM C[C@@H]1CCC[C@H](CN=Nc2oc(C(C)(C)C)nc2-c2nnn[n-]2)C1 ZINC000824928213 1441480820 /nfs/dbraw/zinc/48/08/20/1441480820.db2.gz SIKXXKLZMDRTFA-MNOVXSKESA-N -1 1 331.424 3.376 20 30 EGEDMM Cc1cc(F)ccc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826268809 1441596105 /nfs/dbraw/zinc/59/61/05/1441596105.db2.gz OKCSVASLBAQGKN-UHFFFAOYSA-N -1 1 330.754 3.414 20 30 EGEDMM CCc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000825704237 1441596617 /nfs/dbraw/zinc/59/66/17/1441596617.db2.gz DVJZFBULZXNHRI-UHFFFAOYSA-N -1 1 347.835 3.375 20 30 EGEDMM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000826401444 1441600701 /nfs/dbraw/zinc/60/07/01/1441600701.db2.gz YZMXIBUXNMJUCY-KXFIGUGUSA-N -1 1 330.269 3.180 20 30 EGEDMM CCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736682263 1441748855 /nfs/dbraw/zinc/74/88/55/1441748855.db2.gz JUHWZGVAVHTYFG-KHPPLWFESA-N -1 1 347.422 3.381 20 30 EGEDMM O=C(C=Cc1nccc2ccccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403321 1441888797 /nfs/dbraw/zinc/88/87/97/1441888797.db2.gz OVPVJDDWJQZMNQ-FPLPWBNLSA-N -1 1 345.337 3.450 20 30 EGEDMM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822225002 1442239808 /nfs/dbraw/zinc/23/98/08/1442239808.db2.gz JJIKVLXINZCAAW-GQCTYLIASA-N -1 1 341.352 3.041 20 30 EGEDMM C#C[C@@H](OC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823838527 1442256536 /nfs/dbraw/zinc/25/65/36/1442256536.db2.gz QWCCXFKXHKUXAI-GOSISDBHSA-N -1 1 344.374 3.102 20 30 EGEDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)cc2F)Cc2c1c(F)ccc2F ZINC000826475555 1442399686 /nfs/dbraw/zinc/39/96/86/1442399686.db2.gz JURMAEAWGJCFND-BJMVGYQFSA-N -1 1 342.280 3.106 20 30 EGEDMM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000821786855 1442430240 /nfs/dbraw/zinc/43/02/40/1442430240.db2.gz KPGICEHCBDQJRD-GXDHUFHOSA-N -1 1 332.363 3.088 20 30 EGEDMM CC(C)CO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000735838617 1442493025 /nfs/dbraw/zinc/49/30/25/1442493025.db2.gz IMTBCBBCUPQDFU-OAHLLOKOSA-N -1 1 328.420 3.106 20 30 EGEDMM C=C[C@H](CC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883510 1443494986 /nfs/dbraw/zinc/49/49/86/1443494986.db2.gz RQYKEVLIKJQLAW-MRXNPFEDSA-N -1 1 347.422 3.185 20 30 EGEDMM COc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000821770089 1443568563 /nfs/dbraw/zinc/56/85/63/1443568563.db2.gz OOSJMZWCORNUQJ-GQCTYLIASA-N -1 1 342.305 3.050 20 30 EGEDMM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc(Cl)nc1 ZINC000823504770 1443646771 /nfs/dbraw/zinc/64/67/71/1443646771.db2.gz ULJJYLNXECYLPG-KPKJPENVSA-N -1 1 337.770 3.128 20 30 EGEDMM COCc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000826164390 1443885287 /nfs/dbraw/zinc/88/52/87/1443885287.db2.gz WOJIZOYAVOTZKM-RMKNXTFCSA-N -1 1 338.342 3.048 20 30 EGEDMM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1C ZINC000826177672 1443914314 /nfs/dbraw/zinc/91/43/14/1443914314.db2.gz QHQXCLJXOSHMOV-GQCTYLIASA-N -1 1 340.408 3.450 20 30 EGEDMM C=CCN(CC1CCCCC1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819740128 1443952496 /nfs/dbraw/zinc/95/24/96/1443952496.db2.gz QKQPKXFWNMMVNE-UHFFFAOYSA-N -1 1 339.443 3.004 20 30 EGEDMM C=CCN(Cc1cccc(C#N)c1)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000819745427 1446486365 /nfs/dbraw/zinc/48/63/65/1446486365.db2.gz CEZGWODYFBRBPZ-UHFFFAOYSA-N -1 1 348.385 3.066 20 30 EGEDMM C=CCN(Cc1cccc(C#N)c1)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000819745427 1446486368 /nfs/dbraw/zinc/48/63/68/1446486368.db2.gz CEZGWODYFBRBPZ-UHFFFAOYSA-N -1 1 348.385 3.066 20 30 EGEDMM C=CCC[C@H](C)OC(=O)c1c(C)oc(-n2cccc2)c1-c1nnn[n-]1 ZINC000823894289 1446698742 /nfs/dbraw/zinc/69/87/42/1446698742.db2.gz MLYKPCHLWDJWQX-NSHDSACASA-N -1 1 341.371 3.070 20 30 EGEDMM CCN(Cc1cc(C#N)cs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825428124 1446707969 /nfs/dbraw/zinc/70/79/69/1446707969.db2.gz CBASJCPRJYSQSP-LBPRGKRZSA-N -1 1 338.440 3.383 20 30 EGEDMM C#CC[C@@H](N[C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823838639 1446852395 /nfs/dbraw/zinc/85/23/95/1446852395.db2.gz SIBZFAGNDNDXEA-FZKQIMNGSA-N -1 1 335.386 3.421 20 30 EGEDMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1cccc(C#N)c1 ZINC000820455027 1446916509 /nfs/dbraw/zinc/91/65/09/1446916509.db2.gz BDVWAWNHHIVPBG-GFCCVEGCSA-N -1 1 341.378 3.460 20 30 EGEDMM C=CCOc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000819759010 1446936322 /nfs/dbraw/zinc/93/63/22/1446936322.db2.gz KWBLJFVHSXAFAI-GHXNOFRVSA-N -1 1 348.362 3.050 20 30 EGEDMM O=C(C=Cc1ccnc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000737804222 1447055790 /nfs/dbraw/zinc/05/57/90/1447055790.db2.gz ACOPJJYISDLIQL-CMDGGOBGSA-N -1 1 327.347 3.311 20 30 EGEDMM C[C@@H](N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000824532718 1447126447 /nfs/dbraw/zinc/12/64/47/1447126447.db2.gz WTYYJONSUMXMOS-NEPJUHHUSA-N -1 1 336.374 3.289 20 30 EGEDMM C[C@@H](N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000824532718 1447126451 /nfs/dbraw/zinc/12/64/51/1447126451.db2.gz WTYYJONSUMXMOS-NEPJUHHUSA-N -1 1 336.374 3.289 20 30 EGEDMM O=C(C=Cc1ccc([O-])c(Cl)c1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000826401000 948220292 /nfs/dbraw/zinc/22/02/92/948220292.db2.gz MYDYYWDMVDBXEA-KTAJNNJTSA-N -1 1 344.733 3.261 20 30 EGEDMM COc1cccc2c1CCC2=NNc1ccc(C(=O)[O-])cc1OC ZINC000756898975 978700659 /nfs/dbraw/zinc/70/06/59/978700659.db2.gz KDECTAFNESODFU-UHFFFAOYSA-N -1 1 326.352 3.164 20 30 EGEDMM CCCCCn1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)n1 ZINC001595727557 982352962 /nfs/dbraw/zinc/35/29/62/982352962.db2.gz OJWAWVZDMMYXBU-SFHVURJKSA-N -1 1 340.427 3.169 20 30 EGEDMM C=CCOc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1OC ZINC001588872983 984443731 /nfs/dbraw/zinc/44/37/31/984443731.db2.gz XHTRDXPIOQJBSG-UHFFFAOYSA-N -1 1 345.370 3.387 20 30 EGEDMM C[C@@H](C#N)Oc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1 ZINC001589334103 986198175 /nfs/dbraw/zinc/19/81/75/986198175.db2.gz AGKVHZJESLRARB-SJCJKPOMSA-N -1 1 328.343 3.032 20 30 EGEDMM CC(C)(C#N)c1ccccc1CN[C@@](C)(CC(=O)[O-])c1ccccn1 ZINC001589560638 987315610 /nfs/dbraw/zinc/31/56/10/987315610.db2.gz KSAOCIKQHHZRHD-FQEVSTJZSA-N -1 1 337.423 3.362 20 30 EGEDMM CCc1oc(CN=Nc2ccc(Br)cn2)cc1C(=O)[O-] ZINC001597793197 989340879 /nfs/dbraw/zinc/34/08/79/989340879.db2.gz VABQYTPPJPTUJP-UHFFFAOYSA-N -1 1 338.161 3.144 20 30 EGEDMM COc1ccc([C@@H](NCc2cccc(C#N)c2F)C(=O)[O-])cc1Cl ZINC001599530447 997640966 /nfs/dbraw/zinc/64/09/66/997640966.db2.gz CERDUBHXTSNFBA-MRXNPFEDSA-N -1 1 348.761 3.275 20 30 EGEDMM COc1ccc(CN2CCC(C#N)(C(=O)[O-])CC2)cc1C(C)(C)C ZINC001599562630 998228044 /nfs/dbraw/zinc/22/80/44/998228044.db2.gz HUAIYUQVEJWSSF-UHFFFAOYSA-N -1 1 330.428 3.183 20 30 EGEDMM Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000356827949 141350200 /nfs/dbraw/zinc/35/02/00/141350200.db2.gz 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C=CCSc1ccccc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000362721950 457060768 /nfs/dbraw/zinc/06/07/68/457060768.db2.gz DKKTULFTGSUVFC-UHFFFAOYSA-N -1 1 328.319 3.354 20 30 EGEDMM C=CCn1c(C)cc(C(=O)CSc2nc(C)c(C)c(=O)[n-]2)c1C ZINC000346719894 457130380 /nfs/dbraw/zinc/13/03/80/457130380.db2.gz BNXGWTZWFXWRAE-UHFFFAOYSA-N -1 1 331.441 3.378 20 30 EGEDMM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000342586244 457381558 /nfs/dbraw/zinc/38/15/58/457381558.db2.gz JHPGFFNUMLIZLE-MRXNPFEDSA-N -1 1 348.374 3.111 20 30 EGEDMM N#C[C@@H]1N(C(=O)c2cc(Cl)ccc2[O-])CCC[C@]12CCCCO2 ZINC000366201578 457799912 /nfs/dbraw/zinc/79/99/12/457799912.db2.gz HNLQDKOHVORCBS-DOTOQJQBSA-N -1 1 334.803 3.113 20 30 EGEDMM N#C[C@H]1N(C(=O)c2cc(Cl)ccc2[O-])CCC[C@@]12CCCCO2 ZINC000366201581 457799948 /nfs/dbraw/zinc/79/99/48/457799948.db2.gz HNLQDKOHVORCBS-WBVHZDCISA-N -1 1 334.803 3.113 20 30 EGEDMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427123301 457947577 /nfs/dbraw/zinc/94/75/77/457947577.db2.gz 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COC(=O)c1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000756900910 978701214 /nfs/dbraw/zinc/70/12/14/978701214.db2.gz DSRYTJUZTSMDMM-UHFFFAOYSA-N -1 1 342.351 3.016 20 30 EGEDMM COc1cc(C(=O)[O-])ccc1N=NCc1ccnn1-c1ccccc1 ZINC000790296697 978799423 /nfs/dbraw/zinc/79/94/23/978799423.db2.gz BOZIVNANDCPJIJ-UHFFFAOYSA-N -1 1 336.351 3.025 20 30 EGEDMM CC[C@@H](C#N)Oc1cccc(CNCc2cc(C)c(C(=O)[O-])o2)c1 ZINC001594725133 987227659 /nfs/dbraw/zinc/22/76/59/987227659.db2.gz MBWHKYOEVHAFHH-AWEZNQCLSA-N -1 1 328.368 3.257 20 30 EGEDMM CN(CCCOCc1ccccc1)Cc1cccc(C(=O)[O-])c1C#N ZINC001598481750 992163567 /nfs/dbraw/zinc/16/35/67/992163567.db2.gz DDDWFWLTACXDPQ-UHFFFAOYSA-N -1 1 338.407 3.295 20 30 EGEDMM C[C@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001593288386 994655132 /nfs/dbraw/zinc/65/51/32/994655132.db2.gz IGBZMDCMYJJGAM-NSHDSACASA-N -1 1 325.324 3.015 20 30 EGEDMM C[C@@H](NCc1cccc(OCC(=O)[O-])c1)c1ccc(C#N)cc1F ZINC001593305656 994766299 /nfs/dbraw/zinc/76/62/99/994766299.db2.gz 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C=CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001573334993 947470437 /nfs/dbraw/zinc/47/04/37/947470437.db2.gz UBUNXGATUZYGSO-UHFFFAOYSA-N -1 1 331.445 3.185 20 30 EGEDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)COc2ccc(Cl)cc21 ZINC000826475554 948376195 /nfs/dbraw/zinc/37/61/95/948376195.db2.gz JRTARELMGCGKBR-YVMONPNESA-N -1 1 344.783 3.240 20 30 EGEDMM CC(C)c1csc(C(C#N)C(=O)C=Cc2cc(C(=O)[O-])co2)n1 ZINC001592008353 976676015 /nfs/dbraw/zinc/67/60/15/976676015.db2.gz ISKSMNWGCJDBSI-PCAWENJQSA-N -1 1 330.365 3.447 20 30 EGEDMM CCN(CCOc1ccccc1C)Cc1cccc(C(=O)[O-])c1C#N ZINC001596346829 983796074 /nfs/dbraw/zinc/79/60/74/983796074.db2.gz ITOWVLHHEKMPLN-UHFFFAOYSA-N -1 1 338.407 3.466 20 30 EGEDMM C=CCN(CCc1ccccc1)Cc1snc(OC)c1C(=O)[O-] ZINC001588828732 984309346 /nfs/dbraw/zinc/30/93/46/984309346.db2.gz LMXKFMJMDHNHJZ-UHFFFAOYSA-N -1 1 332.425 3.081 20 30 EGEDMM C=CCN(Cc1ccc(C(=O)[O-])cc1)Cc1cccc([N+](=O)[O-])c1 ZINC001588829300 984313214 /nfs/dbraw/zinc/31/32/14/984313214.db2.gz 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CC[C@](C)(C#N)C(=O)Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1 ZINC000436639015 458350082 /nfs/dbraw/zinc/35/00/82/458350082.db2.gz BCMZSMLIVJSABV-LJQANCHMSA-N -1 1 343.427 3.333 20 30 EGEDMM CC(C)c1csc(C(C#N)=C([O-])c2cnc3c(cnn3C)c2)n1 ZINC000530624486 458801800 /nfs/dbraw/zinc/80/18/00/458801800.db2.gz NKCFJZKWQSIXOT-GFCCVEGCSA-N -1 1 325.397 3.038 20 30 EGEDMM COc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(C)cc1C ZINC000478694713 459103756 /nfs/dbraw/zinc/10/37/56/459103756.db2.gz ATZMMEAIBPFRLG-UHFFFAOYSA-N -1 1 330.409 3.293 20 30 EGEDMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000489692215 459569051 /nfs/dbraw/zinc/56/90/51/459569051.db2.gz RSKPNGPMTBPQFU-UHFFFAOYSA-N -1 1 332.356 3.063 20 30 EGEDMM C#C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Cl)cc1F ZINC000491804874 459676482 /nfs/dbraw/zinc/67/64/82/459676482.db2.gz MOOZYNRQYURTKL-CQSZACIVSA-N -1 1 345.748 3.332 20 30 EGEDMM C=CCn1c(CC)n[n-]c1=N[C@H](C)[C@H](OC)c1ccccc1Cl ZINC000565684941 459787023 /nfs/dbraw/zinc/78/70/23/459787023.db2.gz 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IKAOASDBAIXTLD-UHFFFAOYSA-N -1 1 332.319 3.098 20 30 EGEDMM CCOc1cc2c(cc1NC(=O)c1cc([O-])cc(C#N)c1)O[C@H](C)C2 ZINC000614297985 460084592 /nfs/dbraw/zinc/08/45/92/460084592.db2.gz IIBNKMFAKUPRPD-LLVKDONJSA-N -1 1 338.363 3.238 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)N2CCC(COc3ccccc3)CC2)c1 ZINC000614297819 460084805 /nfs/dbraw/zinc/08/48/05/460084805.db2.gz CHNURSRXRDMCHN-UHFFFAOYSA-N -1 1 336.391 3.195 20 30 EGEDMM N#CCc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)c1 ZINC000589586506 460105567 /nfs/dbraw/zinc/10/55/67/460105567.db2.gz BTMRGBHHDDHSRG-UHFFFAOYSA-N -1 1 341.436 3.154 20 30 EGEDMM Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)c2cccnc12 ZINC000589593278 460107423 /nfs/dbraw/zinc/10/74/23/460107423.db2.gz AROOAYMHHVALRA-UHFFFAOYSA-N -1 1 337.404 3.410 20 30 EGEDMM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000614357777 460112060 /nfs/dbraw/zinc/11/20/60/460112060.db2.gz BJSVMWOYKVHSLD-UHFFFAOYSA-N -1 1 336.269 3.457 20 30 EGEDMM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)c1 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349.383 3.359 20 30 EGEDMM COc1ccc(/C=C2/Oc3cc([O-])cc(C)c3C2=O)cc1[N+](=O)[O-] ZINC000730149905 574925574 /nfs/dbraw/zinc/92/55/74/574925574.db2.gz LYRNPPWLBDLDRV-VIZOYTHASA-N -1 1 327.292 3.234 20 30 EGEDMM CCOC(=O)c1sc([N-]C(=O)c2ncoc2C(C)C)c(C#N)c1C ZINC000731959666 575226927 /nfs/dbraw/zinc/22/69/27/575226927.db2.gz OLGOUEIZKJTWAX-UHFFFAOYSA-N -1 1 347.396 3.469 20 30 EGEDMM CCN1CCc2ccc([N-]S(=O)(=O)c3cc(C#N)ccc3C)cc21 ZINC000734120293 575443442 /nfs/dbraw/zinc/44/34/42/575443442.db2.gz VRBQKRTWKDWFLH-UHFFFAOYSA-N -1 1 341.436 3.050 20 30 EGEDMM CC(=O)c1csc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)c1 ZINC000741111383 576655205 /nfs/dbraw/zinc/65/52/05/576655205.db2.gz MGOHZDRPVPVRON-CQSZACIVSA-N -1 1 326.377 3.220 20 30 EGEDMM Cc1cc([O-])cc2c1C(=O)/C(=C\c1ccc(-n3cncn3)c(C)c1)O2 ZINC000742433047 576783862 /nfs/dbraw/zinc/78/38/62/576783862.db2.gz NELGXIDUAUESES-REZTVBANSA-N -1 1 333.347 3.206 20 30 EGEDMM C=CCn1c2ccccc2n(CN2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825705326 604981247 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/nfs/dbraw/zinc/69/34/07/1426693407.db2.gz BOCDMZCJTPHZEL-VURMDHGXSA-N -1 1 345.337 3.450 20 30 EGEDMM N#Cc1ccc(OCCCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822832727 1427361035 /nfs/dbraw/zinc/36/10/35/1427361035.db2.gz FNGBHPHWLXYRJL-UHFFFAOYSA-N -1 1 337.408 3.300 20 30 EGEDMM O=C1c2cc(F)ccc2CCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475802 1428040881 /nfs/dbraw/zinc/04/08/81/1428040881.db2.gz RBSLIQMVYZRREG-KPKJPENVSA-N -1 1 338.317 3.357 20 30 EGEDMM O=C1c2ccc(Cl)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504341 1429858059 /nfs/dbraw/zinc/85/80/59/1429858059.db2.gz PBILLVPVONAJKL-LFYBBSHMSA-N -1 1 340.745 3.482 20 30 EGEDMM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503738 1429975908 /nfs/dbraw/zinc/97/59/08/1429975908.db2.gz IATBANFLBNFZDY-VURMDHGXSA-N -1 1 328.784 3.404 20 30 EGEDMM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccnc1 ZINC000735450927 1430152852 /nfs/dbraw/zinc/15/28/52/1430152852.db2.gz KJXQBJCVMAVVJD-UHFFFAOYSA-N -1 1 347.304 3.117 20 30 EGEDMM Cc1nc(-c2nnn[n-]2)c(N=NC2C[C@H](c3ccccc3)C2(C)C)o1 ZINC000822423284 1441902843 /nfs/dbraw/zinc/90/28/43/1441902843.db2.gz JAEQFYWSUREPJN-GFCCVEGCSA-N -1 1 337.387 3.145 20 30 EGEDMM C=CCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000735413679 1442160237 /nfs/dbraw/zinc/16/02/37/1442160237.db2.gz XGGLCTPJUXZQIY-UHFFFAOYSA-N -1 1 344.419 3.084 20 30 EGEDMM C=C[C@@H](CC(=O)N(C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882715 1443321708 /nfs/dbraw/zinc/32/17/08/1443321708.db2.gz CAZKQNPTNYXJAR-AWEZNQCLSA-N -1 1 333.395 3.189 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(C)c(C)c2)cc1-c1nnn[n-]1 ZINC000737081210 1443445680 /nfs/dbraw/zinc/44/56/80/1443445680.db2.gz LSBTUNKDQXKXPI-YVMONPNESA-N -1 1 334.379 3.388 20 30 EGEDMM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cc1C ZINC000826190740 1443483480 /nfs/dbraw/zinc/48/34/80/1443483480.db2.gz LWYIROQHLDFRNG-CLTKARDFSA-N -1 1 338.342 3.219 20 30 EGEDMM CCN(C)c1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821164401 1443694755 /nfs/dbraw/zinc/69/47/55/1443694755.db2.gz DOWNRZOIYWKQDU-UHFFFAOYSA-N -1 1 335.415 3.159 20 30 EGEDMM C=C(CC)CNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823877882 1443747685 /nfs/dbraw/zinc/74/76/85/1443747685.db2.gz JVWMBMQVFRSFMO-UHFFFAOYSA-N -1 1 329.795 3.084 20 30 EGEDMM C[C@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000736153055 1444002303 /nfs/dbraw/zinc/00/23/03/1444002303.db2.gz PNTCUNXCUSVUPR-LXKVQUBZSA-N -1 1 345.362 3.056 20 30 EGEDMM COc1ccc(C=CC(=O)c2c[nH]c3ccccc23)cc1-c1nnn[n-]1 ZINC000737081683 1444020307 /nfs/dbraw/zinc/02/03/07/1444020307.db2.gz RJRUSUXQSOZZNU-SOFGYWHQSA-N -1 1 345.362 3.253 20 30 EGEDMM O=C1c2cccc(Cl)c2CC1=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823503737 1446256802 /nfs/dbraw/zinc/25/68/02/1446256802.db2.gz IATBANFLBNFZDY-SOFGYWHQSA-N -1 1 328.784 3.404 20 30 EGEDMM N#Cc1ccc(CN2CCC[C@@H](CCC(=O)[O-])C2)c(OC(F)F)c1 ZINC001594620630 956277423 /nfs/dbraw/zinc/27/74/23/956277423.db2.gz NZLDIADVEIJPRN-LBPRGKRZSA-N -1 1 338.354 3.236 20 30 EGEDMM C[C@@](CC(=O)[O-])(NCC#Cc1ccc(F)cc1)c1cccc(F)c1 ZINC001592322726 977729090 /nfs/dbraw/zinc/72/90/90/977729090.db2.gz ULODPMGAKKYNTH-IBGZPJMESA-N -1 1 329.346 3.296 20 30 EGEDMM C[C@@H](C#N)Oc1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC001589335243 986207728 /nfs/dbraw/zinc/20/77/28/986207728.db2.gz NWVGELBZGPSKGQ-AWEZNQCLSA-N -1 1 336.391 3.234 20 30 EGEDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])c1ccccc1 ZINC001589469334 986940842 /nfs/dbraw/zinc/94/08/42/986940842.db2.gz QVBIIDXJPIVTMS-YVEFUNNKSA-N -1 1 339.351 3.018 20 30 EGEDMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(C#N)ccc1Br ZINC001599879006 989458328 /nfs/dbraw/zinc/45/83/28/989458328.db2.gz WAJXWWVYTVWGEH-ZYHUDNBSSA-N -1 1 337.217 3.006 20 30 EGEDMM CN(Cc1c(Cl)cccc1C(=O)[O-])C[C@@H](O)c1cccc(C#N)c1 ZINC001598505547 992498204 /nfs/dbraw/zinc/49/82/04/992498204.db2.gz LPQCYBIZXQTRGL-QGZVFWFLSA-N -1 1 344.798 3.075 20 30 EGEDMM N#Cc1cccc(COc2cccc(NC(=O)c3cncc([O-])c3)c2)c1 ZINC000109948889 162116643 /nfs/dbraw/zinc/11/66/43/162116643.db2.gz RNQCNYUCVFQBHJ-UHFFFAOYSA-N -1 1 345.358 3.490 20 30 EGEDMM N#Cc1ccc(F)c(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000436591503 270051678 /nfs/dbraw/zinc/05/16/78/270051678.db2.gz QMIJXQKZBFZCFK-UHFFFAOYSA-N -1 1 349.159 3.095 20 30 EGEDMM CCCN(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000442975265 270052034 /nfs/dbraw/zinc/05/20/34/270052034.db2.gz JSLZWBDDBYVHKY-DLBZAZTESA-N -1 1 330.428 3.320 20 30 EGEDMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc21 ZINC000435722321 267263478 /nfs/dbraw/zinc/26/34/78/267263478.db2.gz IPJFNOHKSDRDBM-UHFFFAOYSA-N -1 1 340.408 3.037 20 30 EGEDMM CNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000439250371 267355225 /nfs/dbraw/zinc/35/52/25/267355225.db2.gz UZZGDCMVDYICKX-UHFFFAOYSA-N -1 1 345.424 3.026 20 30 EGEDMM N#Cc1ccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)cc1[O-] ZINC000442947014 268203351 /nfs/dbraw/zinc/20/33/51/268203351.db2.gz ZJLCCXHNKBEHKG-HNNXBMFYSA-N -1 1 326.327 3.047 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000331240059 268204814 /nfs/dbraw/zinc/20/48/14/268204814.db2.gz WNFBPJLXNUUUFO-DTWKUNHWSA-N -1 1 338.376 3.019 20 30 EGEDMM CC[C@@H](Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000561514576 315767715 /nfs/dbraw/zinc/76/77/15/315767715.db2.gz HYXQGCPCBMUCBU-ZDUSSCGKSA-N -1 1 338.816 3.104 20 30 EGEDMM CSCc1cccc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000571712707 317235835 /nfs/dbraw/zinc/23/58/35/317235835.db2.gz NNORCCUYAZIMMP-UHFFFAOYSA-N -1 1 336.413 3.361 20 30 EGEDMM C=C(C)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000183060714 455219005 /nfs/dbraw/zinc/21/90/05/455219005.db2.gz QOOQVPNMNBLDTP-UHFFFAOYSA-N -1 1 344.436 3.136 20 30 EGEDMM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189731735 455236478 /nfs/dbraw/zinc/23/64/78/455236478.db2.gz OQCQXOVOHMXAAH-UHFFFAOYSA-N -1 1 328.802 3.083 20 30 EGEDMM N#Cc1ccc(CSc2nc([O-])cc(=O)n2C2CCCC2)cc1 ZINC000137033933 454766028 /nfs/dbraw/zinc/76/60/28/454766028.db2.gz XYUPDZHNXMCAOZ-UHFFFAOYSA-N -1 1 327.409 3.228 20 30 EGEDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C#N)cc2)c1 ZINC000171333388 455062878 /nfs/dbraw/zinc/06/28/78/455062878.db2.gz RFZXOEIKGDHLOD-UHFFFAOYSA-N -1 1 344.436 3.435 20 30 EGEDMM Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000182879797 455183019 /nfs/dbraw/zinc/18/30/19/455183019.db2.gz BXAJALYYJGRZJZ-UHFFFAOYSA-N -1 1 346.818 3.344 20 30 EGEDMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3Cl)C2)o1 ZINC000294326825 455811705 /nfs/dbraw/zinc/81/17/05/455811705.db2.gz YHNUWUSNHFELPB-XYPYZODXSA-N -1 1 336.800 3.029 20 30 EGEDMM C=CC[C@H]1N(C(=O)c2ccc3n[n-]c(=S)n3c2)CCCC1(C)C ZINC000295675824 455857286 /nfs/dbraw/zinc/85/72/86/455857286.db2.gz RNSJOCDDXGHQMS-CYBMUJFWSA-N -1 1 330.457 3.225 20 30 EGEDMM N#Cc1ccc(CN(Cc2nc(=O)c3sccc3[n-]2)C2CC2)cc1 ZINC000194967082 455906344 /nfs/dbraw/zinc/90/63/44/455906344.db2.gz UVJMYUYITIATSW-UHFFFAOYSA-N -1 1 336.420 3.021 20 30 EGEDMM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000188449096 456065926 /nfs/dbraw/zinc/06/59/26/456065926.db2.gz LMFLFZVDHHOXSS-PIGZYNQJSA-N -1 1 344.798 3.423 20 30 EGEDMM C[C@@H](CNC(=O)c1ccc(C#N)c([O-])c1)Oc1ccc(Cl)cc1 ZINC000188594628 456091452 /nfs/dbraw/zinc/09/14/52/456091452.db2.gz WGEFQRFVTRGMAF-NSHDSACASA-N -1 1 330.771 3.115 20 30 EGEDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1Cl ZINC000337864728 456575988 /nfs/dbraw/zinc/57/59/88/456575988.db2.gz NRPOODBRNHVNFJ-UHFFFAOYSA-N -1 1 336.800 3.215 20 30 EGEDMM Cc1nn(-c2ccccc2)cc1C([O-])=C(C#N)c1cc(C)nc(C)n1 ZINC000338861051 456864463 /nfs/dbraw/zinc/86/44/63/456864463.db2.gz LOMUPWSVCSQKJF-MRXNPFEDSA-N -1 1 331.379 3.078 20 30 EGEDMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000341897210 456991415 /nfs/dbraw/zinc/99/14/15/456991415.db2.gz LWUWCJKFDNHEDS-MGPLVRAMSA-N -1 1 348.811 3.012 20 30 EGEDMM C=C(C)Cn1c(C)n[n-]c1=N[C@@H](C)[C@H](OC)c1ccccc1Cl ZINC000359231836 457066617 /nfs/dbraw/zinc/06/66/17/457066617.db2.gz OHOBKLULECVIKF-LRDDRELGSA-N -1 1 334.851 3.426 20 30 EGEDMM C[C@H](NC(=O)c1cc(Br)ccc1[O-])[C@H]1CCCOC1 ZINC000331247041 457153412 /nfs/dbraw/zinc/15/34/12/457153412.db2.gz SOVCXHVGNYQGAF-UWVGGRQHSA-N -1 1 328.206 3.274 20 30 EGEDMM C=C(C)[C@H](CC(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1)OCC ZINC000363331618 457296023 /nfs/dbraw/zinc/29/60/23/457296023.db2.gz ONZJDEWEVFXEPO-SFHVURJKSA-N -1 1 345.439 3.185 20 30 EGEDMM N#CC(=C([O-])c1cc2cc(Cl)ccn2n1)c1nc2ccccc2[nH]1 ZINC000355119933 457342857 /nfs/dbraw/zinc/34/28/57/457342857.db2.gz SDGUOUPRKARZNR-GFCCVEGCSA-N -1 1 335.754 3.354 20 30 EGEDMM O=S(=O)([N-]CCC(F)(F)F)c1ccc(F)cc1C(F)(F)F ZINC000360847327 457383083 /nfs/dbraw/zinc/38/30/83/457383083.db2.gz RPXGLQRSOZZHAX-UHFFFAOYSA-N -1 1 339.232 3.075 20 30 EGEDMM CCOc1ccc([N-]S(=O)(=O)c2ccccc2CC#N)c(C)c1 ZINC000355882053 457428012 /nfs/dbraw/zinc/42/80/12/457428012.db2.gz JZINUTUCKKSIKO-UHFFFAOYSA-N -1 1 330.409 3.261 20 30 EGEDMM N#C[C@@H]([N-]S(=O)(=O)c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000356131515 457473535 /nfs/dbraw/zinc/47/35/35/457473535.db2.gz CJTWKMLRJYJGRG-LLVKDONJSA-N -1 1 346.355 3.310 20 30 EGEDMM C=C[C@@](C)(CCOC)C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000364844070 457703808 /nfs/dbraw/zinc/70/38/08/457703808.db2.gz XZFCZSULTMOBEE-FQEVSTJZSA-N -1 1 345.439 3.042 20 30 EGEDMM CC(C)(CCC#N)CNC(=O)c1cc(Br)ccc1[O-] ZINC000436737188 458370842 /nfs/dbraw/zinc/37/08/42/458370842.db2.gz IMDKZPOQPJIMHH-UHFFFAOYSA-N -1 1 325.206 3.214 20 30 EGEDMM N#Cc1ccc(C[C@@H](C#N)c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000436876680 458397839 /nfs/dbraw/zinc/39/78/39/458397839.db2.gz AORGRBWXMBBTBK-AWEZNQCLSA-N -1 1 334.310 3.303 20 30 EGEDMM N#C[C@@H]([N-]S(=O)(=O)c1cc2cc(F)ccc2o1)C1CCCCC1 ZINC000450985752 458462509 /nfs/dbraw/zinc/46/25/09/458462509.db2.gz FKPOWRWUPWRQLV-CQSZACIVSA-N -1 1 336.388 3.323 20 30 EGEDMM CC(C)(C#N)C[N-]S(=O)(=O)c1sc2ccccc2c1Cl ZINC000451383783 458475074 /nfs/dbraw/zinc/47/50/74/458475074.db2.gz LIIPEGAKUYOLJZ-UHFFFAOYSA-N -1 1 328.846 3.383 20 30 EGEDMM 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ZINC000826190867 1426614023 /nfs/dbraw/zinc/61/40/23/1426614023.db2.gz POFCTDCSJYIYQA-KXFIGUGUSA-N -1 1 342.305 3.050 20 30 EGEDMM N#CCC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000826381474 1427142341 /nfs/dbraw/zinc/14/23/41/1427142341.db2.gz NDIHSTBTMPWNAL-CQSZACIVSA-N -1 1 339.790 3.372 20 30 EGEDMM Cc1c2c(nc(SCCC(C)(C)C#N)c1-c1nnn[n-]1)CCC2 ZINC000822128573 1429853153 /nfs/dbraw/zinc/85/31/53/1429853153.db2.gz DIVCTFINKJNUNX-UHFFFAOYSA-N -1 1 328.445 3.091 20 30 EGEDMM C[C@@H]1C[C@@H]1c1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)o1 ZINC000824897829 1441566182 /nfs/dbraw/zinc/56/61/82/1441566182.db2.gz BNOIHFHNJVRNGV-KCJUWKMLSA-N -1 1 343.778 3.078 20 30 EGEDMM C[C@@H]1C[C@@H]1c1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)o1 ZINC000824897829 1441566186 /nfs/dbraw/zinc/56/61/86/1441566186.db2.gz BNOIHFHNJVRNGV-KCJUWKMLSA-N -1 1 343.778 3.078 20 30 EGEDMM C[C@@H]1C[C@@H]1c1ccc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)o1 ZINC000824897829 1441566190 /nfs/dbraw/zinc/56/61/90/1441566190.db2.gz BNOIHFHNJVRNGV-KCJUWKMLSA-N -1 1 343.778 3.078 20 30 EGEDMM CCCCCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825272175 1441775897 /nfs/dbraw/zinc/77/58/97/1441775897.db2.gz YEXQQMVTFZCUJE-UHFFFAOYSA-N -1 1 327.432 3.333 20 30 EGEDMM CC(=NNc1cc(F)c(F)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000735451157 1441810175 /nfs/dbraw/zinc/81/01/75/1441810175.db2.gz QSDFBOBWVZCFMM-UHFFFAOYSA-N -1 1 332.289 3.120 20 30 EGEDMM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000819743757 1442002760 /nfs/dbraw/zinc/00/27/60/1442002760.db2.gz PRHMKHFSOYXHTM-LSDHHAIUSA-N -1 1 339.443 3.208 20 30 EGEDMM C=CCCCCCN(C)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819740233 1442253575 /nfs/dbraw/zinc/25/35/75/1442253575.db2.gz VKMKBBLZTSHESL-AWEZNQCLSA-N -1 1 342.447 3.316 20 30 EGEDMM N#Cc1ccc(NCc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822833272 1443278379 /nfs/dbraw/zinc/27/83/79/1443278379.db2.gz MYYZYJYUKJSRHR-UHFFFAOYSA-N -1 1 344.300 3.369 20 30 EGEDMM CCCCCCCOC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736448581 1443291490 /nfs/dbraw/zinc/29/14/90/1443291490.db2.gz NHYVTTYXPUPCHR-UHFFFAOYSA-N -1 1 334.445 3.472 20 30 EGEDMM C=C(CC)COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823878147 1443539738 /nfs/dbraw/zinc/53/97/38/1443539738.db2.gz QVLHFKSCCLVHFU-UHFFFAOYSA-N -1 1 326.278 3.009 20 30 EGEDMM C=CCC(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000819733881 1443854629 /nfs/dbraw/zinc/85/46/29/1443854629.db2.gz DNJXYKXEWRBYLW-UHFFFAOYSA-N -1 1 341.415 3.361 20 30 EGEDMM C[C@H](OC(=O)C=Cc1ccccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000736153710 1443941975 /nfs/dbraw/zinc/94/19/75/1443941975.db2.gz RZBXEACHMIBAAB-LXKVQUBZSA-N -1 1 345.362 3.056 20 30 EGEDMM CC(C)c1nc(-c2nnn[n-]2)c(N=NC=CCc2ccc(F)cc2)o1 ZINC000824352390 1446398745 /nfs/dbraw/zinc/39/87/45/1446398745.db2.gz BXTQNIOGJPJSIW-BCZIFPQJSA-N -1 1 341.350 3.228 20 30 EGEDMM Cc1ccc(C=CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000822233606 1446532845 /nfs/dbraw/zinc/53/28/45/1446532845.db2.gz RWGYEJMOJWBMAO-NSCUHMNNSA-N -1 1 344.378 3.089 20 30 EGEDMM CCn1nc(CN=Nc2ccc(C(=O)[O-])cc2OC)c2ccccc21 ZINC000769799922 978743222 /nfs/dbraw/zinc/74/32/22/978743222.db2.gz PNMSIRRAWFLAPB-UHFFFAOYSA-N -1 1 338.367 3.209 20 30 EGEDMM C[C@H](COCC1CCCCC1)NCc1cccc(C(=O)[O-])c1C#N ZINC001592777181 979406195 /nfs/dbraw/zinc/40/61/95/979406195.db2.gz YCKKGGOXDZZWHW-CQSZACIVSA-N -1 1 330.428 3.331 20 30 EGEDMM