smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1cc(OCC)ccc1OC(=O)c1[nH]cnc1C ZINC001341994267 936457006 /nfs/dbraw/zinc/45/70/06/936457006.db2.gz YQHWCDAQSCMSAL-UHFFFAOYSA-N 0 1 286.331 3.065 20 30 CGEDMN C=C(C)CCC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC001342604064 936471393 /nfs/dbraw/zinc/47/13/93/936471393.db2.gz NOCCMAMOVDOUSA-GFCCVEGCSA-N 0 1 267.332 3.404 20 30 CGEDMN Cc1cc(C(C#N)C(=O)C[C@@H]2CCCC2(F)F)nc(C)n1 ZINC001343578042 936506791 /nfs/dbraw/zinc/50/67/91/936506791.db2.gz SNBOFNOWGTVBSE-RYUDHWBXSA-N 0 1 293.317 3.095 20 30 CGEDMN N#C[C@@H](C(=O)[C@@H]1Cc2ccccc2S1)c1cccc(F)n1 ZINC001344004570 936521951 /nfs/dbraw/zinc/52/19/51/936521951.db2.gz LTGNBGDCGBTXHC-RISCZKNCSA-N 0 1 298.342 3.114 20 30 CGEDMN C#C[C@@H](NC[C@@](C)(CC)OC)c1ccc(Cl)cc1 ZINC001474555764 937866864 /nfs/dbraw/zinc/86/68/64/937866864.db2.gz AJILSZNHKNHRHH-HUUCEWRRSA-N 0 1 265.784 3.419 20 30 CGEDMN C=CCC(C)(C)C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001345225692 936806797 /nfs/dbraw/zinc/80/67/97/936806797.db2.gz UDWSWNDVTIYBDE-UHFFFAOYSA-N 0 1 276.258 3.074 20 30 CGEDMN N#CCC[C@@H](C#N)CNCC1(c2ccccc2F)CCC1 ZINC001346136010 936839335 /nfs/dbraw/zinc/83/93/35/936839335.db2.gz INPQZLCXLIINCM-AWEZNQCLSA-N 0 1 285.366 3.281 20 30 CGEDMN CC(C)c1ncc(C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC001348979584 936940853 /nfs/dbraw/zinc/94/08/53/936940853.db2.gz QOYKSDMOWAUQGO-LBPRGKRZSA-N 0 1 296.374 3.238 20 30 CGEDMN C=C[C@H](COC)N[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC001342730455 927023095 /nfs/dbraw/zinc/02/30/95/927023095.db2.gz AAUWEILXSKTGOO-WDEREUQCSA-N 0 1 299.798 3.209 20 30 CGEDMN C=CCC[C@@H](C)N1CC(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001481559994 927024401 /nfs/dbraw/zinc/02/44/01/927024401.db2.gz ZGNYMZLJOTVONS-CABCVRRESA-N 0 1 290.451 3.112 20 30 CGEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@H](C)CCCC ZINC001482281634 927205971 /nfs/dbraw/zinc/20/59/71/927205971.db2.gz YCHFGMNQZWYJBK-YPMHNXCESA-N 0 1 274.836 3.002 20 30 CGEDMN C=CC[C@@H](C(=O)OC)N1CCC[C@](C)(c2ccccc2)C1 ZINC001307464490 927226459 /nfs/dbraw/zinc/22/64/59/927226459.db2.gz ICOYOIFNCFBODP-WMZOPIPTSA-N 0 1 287.403 3.158 20 30 CGEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@]1(C)CC=CCC1 ZINC001483931428 927649117 /nfs/dbraw/zinc/64/91/17/927649117.db2.gz SJTGOCZVJLNZLE-GDBMZVCRSA-N 0 1 296.842 3.066 20 30 CGEDMN C#CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCCCCC ZINC001485072817 927805837 /nfs/dbraw/zinc/80/58/37/927805837.db2.gz ISXZZVULYLSJCI-IRXDYDNUSA-N 0 1 292.467 3.149 20 30 CGEDMN C#CCN(C)C[C@H]1CCCN1C(=O)[C@H](C)CCCCCC ZINC001485072816 927806476 /nfs/dbraw/zinc/80/64/76/927806476.db2.gz ISXZZVULYLSJCI-IAGOWNOFSA-N 0 1 292.467 3.149 20 30 CGEDMN C#CC1CCN(C/C=C/c2ccc(F)cc2F)CC1 ZINC001474595485 937207607 /nfs/dbraw/zinc/20/76/07/937207607.db2.gz LNDDZVZFHUYONP-ONEGZZNKSA-N 0 1 261.315 3.323 20 30 CGEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)CCC1CCCC1 ZINC001485857449 927966532 /nfs/dbraw/zinc/96/65/32/927966532.db2.gz XUJICENQNKCEJI-CYBMUJFWSA-N 0 1 286.847 3.146 20 30 CGEDMN CC#CCN(C)CCN(C(=O)[C@H]1CCCC[C@H]1C)C(C)C ZINC001486375016 928015882 /nfs/dbraw/zinc/01/58/82/928015882.db2.gz QSCXPEUTIMUTII-SJORKVTESA-N 0 1 292.467 3.005 20 30 CGEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H](CC)CCCC)[C@H]1C ZINC001489280909 928324851 /nfs/dbraw/zinc/32/48/51/928324851.db2.gz KFAUGHSGMDBFMP-IKGGRYGDSA-N 0 1 292.467 3.195 20 30 CGEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2cccc(CC#N)c2)c1 ZINC001449728392 937381036 /nfs/dbraw/zinc/38/10/36/937381036.db2.gz QYJPWMMXIABOQE-UHFFFAOYSA-N 0 1 290.326 3.190 20 30 CGEDMN CC(C)c1ncc(CNC(=O)CC2(C#N)CCCCC2)[nH]1 ZINC001456344302 937429985 /nfs/dbraw/zinc/42/99/85/937429985.db2.gz QVKUCMRMLZMTIW-UHFFFAOYSA-N 0 1 288.395 3.013 20 30 CGEDMN C=C[C@@]1(C)CC[C@@H](Oc2nnc3c[nH]ccc2-3)C(C)(C)O1 ZINC001228990877 932066685 /nfs/dbraw/zinc/06/66/85/932066685.db2.gz URYFSYHNNBZYFZ-CJNGLKHVSA-N 0 1 287.363 3.239 20 30 CGEDMN CC1=C(Oc2cc(O)c(Cl)cc2Cl)C(=O)[C@H](C)O1 ZINC001229410607 932147345 /nfs/dbraw/zinc/14/73/45/932147345.db2.gz KVZBWIMRDAMSGE-YFKPBYRVSA-N 0 1 289.114 3.297 20 30 CGEDMN C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(C)nc3[nH]cnc32)C1 ZINC001229439458 932150884 /nfs/dbraw/zinc/15/08/84/932150884.db2.gz DJFHOMQCTKIQRV-OLZOCXBDSA-N 0 1 284.363 3.341 20 30 CGEDMN C=C(Cl)CNCc1ccc(OCC(F)(F)F)cc1 ZINC001461229975 937571004 /nfs/dbraw/zinc/57/10/04/937571004.db2.gz DGNGOLQNRWXDNE-UHFFFAOYSA-N 0 1 279.689 3.470 20 30 CGEDMN C#CC[C@@H](NCc1cnc(F)c(C)c1)c1ccccc1 ZINC001461352563 937577242 /nfs/dbraw/zinc/57/72/42/937577242.db2.gz PBBIMTUNFZNGGU-MRXNPFEDSA-N 0 1 268.335 3.383 20 30 CGEDMN CN(C)Cc1cc(F)ccc1OC1CCC(C#N)CC1 ZINC001229854370 932493858 /nfs/dbraw/zinc/49/38/58/932493858.db2.gz MFYDKNYGSFIOJD-UHFFFAOYSA-N 0 1 276.355 3.348 20 30 CGEDMN CCCCCCC[C@H](C)Oc1nc(C(=O)OC)c[nH]1 ZINC001230279678 932551606 /nfs/dbraw/zinc/55/16/06/932551606.db2.gz HJIFBROETYZLTP-NSHDSACASA-N 0 1 268.357 3.324 20 30 CGEDMN C=C1CC(C)(C(=O)N2CCC[C@@H](N(C)C/C=C/Cl)C2)C1 ZINC001491946820 932798186 /nfs/dbraw/zinc/79/81/86/932798186.db2.gz KDSWZKOEZFMPOS-HZRUHFOJSA-N 0 1 296.842 3.018 20 30 CGEDMN C#CC[C@H](NCc1cccc(N(C)C)n1)c1ccccc1 ZINC001307633696 932978348 /nfs/dbraw/zinc/97/83/48/932978348.db2.gz VAVXZBQVFUVRFJ-KRWDZBQOSA-N 0 1 279.387 3.002 20 30 CGEDMN Cc1ccc([C@H](C)NCc2cc(C#N)ccn2)s1 ZINC001307658841 932981917 /nfs/dbraw/zinc/98/19/17/932981917.db2.gz WVYQAEMSYHAEHF-NSHDSACASA-N 0 1 257.362 3.174 20 30 CGEDMN CC#CC[C@@H](CO)NCc1ccc(-c2ccc(C)cc2)o1 ZINC001308451072 933112915 /nfs/dbraw/zinc/11/29/15/933112915.db2.gz UJKWKNSCUJNXLD-INIZCTEOSA-N 0 1 283.371 3.119 20 30 CGEDMN CC[C@@H](NCc1cccc(C#N)n1)c1ccc(F)cc1 ZINC001308634693 933146232 /nfs/dbraw/zinc/14/62/32/933146232.db2.gz JXMGPIOYAYVWRS-MRXNPFEDSA-N 0 1 269.323 3.333 20 30 CGEDMN CC#CCN1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)[C@H]1C ZINC001316794776 933482142 /nfs/dbraw/zinc/48/21/42/933482142.db2.gz UWARZAZNNYPOBB-OAGGEKHMSA-N 0 1 292.467 3.051 20 30 CGEDMN CC#CCN1CCC(N(C)C(=O)C(CC)(CC)CC)CC1 ZINC001316935842 933497176 /nfs/dbraw/zinc/49/71/76/933497176.db2.gz QFNQZTZGNQEEGA-UHFFFAOYSA-N 0 1 292.467 3.149 20 30 CGEDMN C=C(Cl)CN1CCC2(C[C@@H]2NC(=O)C[C@@H](C)CC)CC1 ZINC001316995604 933508078 /nfs/dbraw/zinc/50/80/78/933508078.db2.gz DKEHPPXETRUNSA-JSGCOSHPSA-N 0 1 298.858 3.146 20 30 CGEDMN C=C(Cl)CN[C@H](CNC(=O)[C@@H]1CCCC1(C)C)C1CC1 ZINC001317028141 933515673 /nfs/dbraw/zinc/51/56/73/933515673.db2.gz UYPBYWRGJZUWJG-UONOGXRCSA-N 0 1 298.858 3.050 20 30 CGEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](N(C)C/C=C\Cl)C1 ZINC001317380140 933582066 /nfs/dbraw/zinc/58/20/66/933582066.db2.gz ZHUWUGKHZFNGTQ-LUXYIKNCSA-N 0 1 298.858 3.264 20 30 CGEDMN C=CCCCN1CC(NC(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001318089546 933685091 /nfs/dbraw/zinc/68/50/91/933685091.db2.gz SDEVZNAHNQJJAI-INIZCTEOSA-N 0 1 298.430 3.113 20 30 CGEDMN C=C(Cl)CN(C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001318104011 933686139 /nfs/dbraw/zinc/68/61/39/933686139.db2.gz NFWJOIIEAULQEL-LBPRGKRZSA-N 0 1 253.773 3.311 20 30 CGEDMN C=CCC[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001318183662 933691345 /nfs/dbraw/zinc/69/13/45/933691345.db2.gz AJWNIEXZMVQQTM-RDBSUJKOSA-N 0 1 290.432 3.002 20 30 CGEDMN C=C(Cl)CN1CCC(CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC001319018951 933811987 /nfs/dbraw/zinc/81/19/87/933811987.db2.gz KCVYNSMAOZUFQQ-CQSZACIVSA-N 0 1 298.858 3.003 20 30 CGEDMN C#CCN(C)CCN(C)C(=O)C1CCC(CCCC)CC1 ZINC001320080287 933995809 /nfs/dbraw/zinc/99/58/09/933995809.db2.gz KUZUGYNEQYGTRC-UHFFFAOYSA-N 0 1 292.467 3.006 20 30 CGEDMN CC(C)CN(CCC#N)CCc1ccc(F)cc1F ZINC001320138120 934007820 /nfs/dbraw/zinc/00/78/20/934007820.db2.gz XPBVVAXQWWOEGY-UHFFFAOYSA-N 0 1 266.335 3.379 20 30 CGEDMN C=C[C@@H](COC)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001321241408 934168831 /nfs/dbraw/zinc/16/88/31/934168831.db2.gz NVDPXNZIWKXNBC-ONGXEEELSA-N 0 1 257.736 3.331 20 30 CGEDMN C=CCC[C@H](C)N1CC[C@H]1CNC(=O)c1sccc1F ZINC001323232882 934376573 /nfs/dbraw/zinc/37/65/73/934376573.db2.gz SGKULSLBEXWTSY-RYUDHWBXSA-N 0 1 296.411 3.046 20 30 CGEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001323898550 934436705 /nfs/dbraw/zinc/43/67/05/934436705.db2.gz QSLYYRHUCNDTIQ-VNDWYCCKSA-N 0 1 278.440 3.086 20 30 CGEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)c2cscc2C)C1 ZINC001323909882 934437951 /nfs/dbraw/zinc/43/79/51/934437951.db2.gz WXEZAPZGHMCUCO-ZDUSSCGKSA-N 0 1 292.448 3.167 20 30 CGEDMN C=CCC[C@H](C)N1CC(N(C)C(=O)CC[C@H](C)CC)C1 ZINC001323994295 934446235 /nfs/dbraw/zinc/44/62/35/934446235.db2.gz DYSDPFXATCWODL-CABCVRRESA-N 0 1 280.456 3.310 20 30 CGEDMN C=C[C@@H](COC)N[C@@H](C)c1cc2cccc(OC)c2o1 ZINC001324021060 934450037 /nfs/dbraw/zinc/45/00/37/934450037.db2.gz DIIDVKFIUZKLRA-AAEUAGOBSA-N 0 1 275.348 3.293 20 30 CGEDMN Nc1ccc(C=NNCCCc2ccccc2)c(Cl)c1 ZINC001324798698 934568373 /nfs/dbraw/zinc/56/83/73/934568373.db2.gz SPAKIOFCIFHEIQ-UHFFFAOYSA-N 0 1 287.794 3.479 20 30 CGEDMN Cc1c[nH]c(Nc2ccc(C#N)c(Br)c2F)n1 ZINC001472725484 937781689 /nfs/dbraw/zinc/78/16/89/937781689.db2.gz FCZZYYJIRCBODA-UHFFFAOYSA-N 0 1 295.115 3.235 20 30 CGEDMN C[C@H](NCc1cc(C#N)ccn1)c1ccc2ncsc2c1 ZINC001473403310 937805241 /nfs/dbraw/zinc/80/52/41/937805241.db2.gz AUOTYUJLCDPDJN-NSHDSACASA-N 0 1 294.383 3.414 20 30 CGEDMN C[C@H]1CCc2nc(C=NNc3ccc(F)cn3)sc2C1 ZINC001324925010 934872312 /nfs/dbraw/zinc/87/23/12/934872312.db2.gz LQEROSPXMOJJFM-VIFPVBQESA-N 0 1 290.367 3.248 20 30 CGEDMN N#CC1(CNCc2ccc(N3CCCC3)cc2)CCCC1 ZINC001326471232 934981836 /nfs/dbraw/zinc/98/18/36/934981836.db2.gz SJYSPKCLKWKSNV-UHFFFAOYSA-N 0 1 283.419 3.460 20 30 CGEDMN C=CCCN(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001473667443 937816690 /nfs/dbraw/zinc/81/66/90/937816690.db2.gz XRJDHPRCTXQNES-UHFFFAOYSA-N 0 1 255.402 3.252 20 30 CGEDMN CN(CCCN(C)[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC001473708373 937818267 /nfs/dbraw/zinc/81/82/67/937818267.db2.gz UKYJEJHAVGZCHH-WBVHZDCISA-N 0 1 271.408 3.137 20 30 CGEDMN C#CCN(C)[C@H](C)CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001329488556 935220333 /nfs/dbraw/zinc/22/03/33/935220333.db2.gz MHRYTHMWZJUIBV-OAHLLOKOSA-N 0 1 298.430 3.028 20 30 CGEDMN Cl/C=C/CON=Cc1ccccc1N1CCCC1 ZINC001330028538 935262123 /nfs/dbraw/zinc/26/21/23/935262123.db2.gz FZPDDBCRXCJUMM-VYFSFNTMSA-N 0 1 264.756 3.390 20 30 CGEDMN CS[C@H]1CC[C@H](N(C)Cc2cccc(F)c2C#N)C1 ZINC001330600744 935301976 /nfs/dbraw/zinc/30/19/76/935301976.db2.gz MEICOMCFZAUDCX-STQMWFEESA-N 0 1 278.396 3.413 20 30 CGEDMN CC(C)(C)c1ccc(=NNC=CC(F)(F)F)[nH]n1 ZINC001331541124 935390590 /nfs/dbraw/zinc/39/05/90/935390590.db2.gz KUVXRSZQNOQBGM-UHFFFAOYSA-N 0 1 260.263 3.124 20 30 CGEDMN C=C(Cl)CN[C@@H]1C[C@H](C)N(C(=O)CC(CC)CC)C1 ZINC001332043693 935435915 /nfs/dbraw/zinc/43/59/15/935435915.db2.gz ARLLYVCICVKAFV-GXTWGEPZSA-N 0 1 286.847 3.144 20 30 CGEDMN C=C(Cl)CNC[C@@H](NC(=O)c1ccccc1)C(C)(C)C ZINC001332752654 935486943 /nfs/dbraw/zinc/48/69/43/935486943.db2.gz HUTWWTJYOJGRDA-CQSZACIVSA-N 0 1 294.826 3.173 20 30 CGEDMN CCCc1[nH]ncc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001332925706 935498183 /nfs/dbraw/zinc/49/81/83/935498183.db2.gz HZWWGBAYIWENSF-UHFFFAOYSA-N 0 1 282.347 3.071 20 30 CGEDMN CC(C)Cc1ncc(CN=Nc2ccc(C#N)cn2)s1 ZINC001337008290 936231790 /nfs/dbraw/zinc/23/17/90/936231790.db2.gz VBLDOZJQCSGURA-UHFFFAOYSA-N 0 1 285.376 3.054 20 30 CGEDMN C=CCCCCCN(C)Cc1cnc(OC)s1 ZINC001474369454 937855658 /nfs/dbraw/zinc/85/56/58/937855658.db2.gz GTPJWTPFPJMBDF-UHFFFAOYSA-N 0 1 254.399 3.330 20 30 CGEDMN C=CC(C)(C)CCCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC001479218346 937917874 /nfs/dbraw/zinc/91/78/74/937917874.db2.gz BMIYTBSQYBPESK-OAHLLOKOSA-N 0 1 295.471 3.105 20 30 CGEDMN C#CCN(C)C[C@@H]1CCCCN1C(=O)[C@H](CC)CC(C)C ZINC001479738460 937925068 /nfs/dbraw/zinc/92/50/68/937925068.db2.gz DAMMCLCZJGMSNY-SJORKVTESA-N 0 1 292.467 3.005 20 30 CGEDMN CC#CCN1CCCC[C@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001480333994 937936964 /nfs/dbraw/zinc/93/69/64/937936964.db2.gz YXXQVRPAAKMREW-SJORKVTESA-N 0 1 292.467 3.053 20 30 CGEDMN C=C(Cl)CNCCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001493746217 937951074 /nfs/dbraw/zinc/95/10/74/937951074.db2.gz LNDMLRDSESJAEA-KBPBESRZSA-N 0 1 286.847 3.003 20 30 CGEDMN C=C/C(C)=C\CC(=O)NCC[C@@H]1CCN(CC(=C)Cl)C1 ZINC001494047372 937953134 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CC[C@H](C)c1nc([C@@H](C)NCc2ccc(C#N)c(C)c2)n[nH]1 ZINC000443997270 393781274 /nfs/dbraw/zinc/78/12/74/393781274.db2.gz MECWHRPFBMNJNK-WCQYABFASA-N 0 1 297.406 3.349 20 30 CGEDMN C=CCN(CCOC)Cc1cc2c(cccc2C)[nH]1 ZINC000668054691 542963208 /nfs/dbraw/zinc/96/32/08/542963208.db2.gz CTLLSMAYRPQHNE-UHFFFAOYSA-N 0 1 258.365 3.111 20 30 CGEDMN COCC#CCN1CCC([C@@H](F)c2ccccc2F)CC1 ZINC000671699593 543177772 /nfs/dbraw/zinc/17/77/72/543177772.db2.gz KYGOZGXWCMTKHQ-QGZVFWFLSA-N 0 1 293.357 3.198 20 30 CGEDMN C=CCC[C@H](O)CN1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000675496453 543344086 /nfs/dbraw/zinc/34/40/86/543344086.db2.gz XOJHYCOVCILNTI-AWEZNQCLSA-N 0 1 284.403 3.162 20 30 CGEDMN COc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1OC ZINC000078878057 287052496 /nfs/dbraw/zinc/05/24/96/287052496.db2.gz HSUGDIKSSOCEKV-CYBMUJFWSA-N 0 1 296.370 3.426 20 30 CGEDMN C[C@H](c1ccco1)N(C)CCOc1ccc(C#N)cc1 ZINC000069070059 165050862 /nfs/dbraw/zinc/05/08/62/165050862.db2.gz PMSGGDWILZZICK-CYBMUJFWSA-N 0 1 270.332 3.223 20 30 CGEDMN 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CGEDMN N#CC(C(=O)C1(c2cccc(F)c2)CC1)c1cccc(F)n1 ZINC001343311237 936494313 /nfs/dbraw/zinc/49/43/13/936494313.db2.gz DUDSRJPUALEPGJ-CYBMUJFWSA-N 0 1 298.292 3.268 20 30 CGEDMN N#C[C@@H](C(=O)[C@H]1Cc2ccccc2S1)c1cccc(F)n1 ZINC001344004568 936522042 /nfs/dbraw/zinc/52/20/42/936522042.db2.gz LTGNBGDCGBTXHC-BXUZGUMPSA-N 0 1 298.342 3.114 20 30 CGEDMN CCn1ccnc1C(C#N)C(=O)C1(Cc2ccccc2)CC1 ZINC001344862905 936546853 /nfs/dbraw/zinc/54/68/53/936546853.db2.gz BFDWUCIOCQNFEX-HNNXBMFYSA-N 0 1 293.370 3.102 20 30 CGEDMN CCn1ccnc1C(C#N)C(=O)c1occc1C(C)C ZINC001344864936 936547282 /nfs/dbraw/zinc/54/72/82/936547282.db2.gz WHKJCVJJRBGXGU-GFCCVEGCSA-N 0 1 271.320 3.109 20 30 CGEDMN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1nc(C#N)cs1 ZINC001345119999 936802667 /nfs/dbraw/zinc/80/26/67/936802667.db2.gz CZIKJAWFSKOQOU-CMPLNLGQSA-N 0 1 299.399 3.367 20 30 CGEDMN CC(C)(C)c1ccc(NN=Cc2ccc(O)cc2F)nn1 ZINC001346126396 936838929 /nfs/dbraw/zinc/83/89/29/936838929.db2.gz AWFGKNUQOOPLQY-UHFFFAOYSA-N 0 1 288.326 3.065 20 30 CGEDMN CCn1ccnc1C(C#N)C(=O)[C@H](c1ccccc1)C1CC1 ZINC001347337242 936880215 /nfs/dbraw/zinc/88/02/15/936880215.db2.gz FCYHSKBDMVTILQ-HZPDHXFCSA-N 0 1 293.370 3.273 20 30 CGEDMN C=CCO[C@H]1CCN(Cc2ccc(Cl)c(OC)c2)C1 ZINC001347840255 936898797 /nfs/dbraw/zinc/89/87/97/936898797.db2.gz QFASDCIOXWUBOC-ZDUSSCGKSA-N 0 1 281.783 3.126 20 30 CGEDMN N#C[C@H]1CC[C@H](Nc2cc3nc[nH]c3cc2F)CC1 ZINC001167846318 927032026 /nfs/dbraw/zinc/03/20/26/927032026.db2.gz XZRQNABRGIHKBE-MGCOHNPYSA-N 0 1 258.300 3.196 20 30 CGEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@H](C)CCCC ZINC001482281631 927205698 /nfs/dbraw/zinc/20/56/98/927205698.db2.gz YCHFGMNQZWYJBK-DGCLKSJQSA-N 0 1 274.836 3.002 20 30 CGEDMN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)/C(C)=C/CC ZINC001482378986 927227995 /nfs/dbraw/zinc/22/79/95/927227995.db2.gz FDHRQXAPYYXYRC-WEKMIXOTSA-N 0 1 286.847 3.216 20 30 CGEDMN C=C(Cl)CNC[C@H](CC(C)C)NC(=O)/C(C)=C/CC ZINC001482378983 927228625 /nfs/dbraw/zinc/22/86/25/927228625.db2.gz FDHRQXAPYYXYRC-GMMCIKNFSA-N 0 1 286.847 3.216 20 30 CGEDMN C=C(Cl)CNC[C@@H](NC(=O)C=C(C)C)C1CCCCC1 ZINC001482403360 927232032 /nfs/dbraw/zinc/23/20/32/927232032.db2.gz SYEWQHXAPYTENE-OAHLLOKOSA-N 0 1 298.858 3.360 20 30 CGEDMN C=C(Cl)CNC[C@H]1[C@H](C)CCCN1C(=O)CCCC ZINC001482486035 927263448 /nfs/dbraw/zinc/26/34/48/927263448.db2.gz OSHFWMRCPBXOFX-OCCSQVGLSA-N 0 1 286.847 3.146 20 30 CGEDMN C=CCCC(=O)N[C@@H](C)CN[C@@H](C)c1ccc(F)cc1F ZINC001483213481 927442399 /nfs/dbraw/zinc/44/23/99/927442399.db2.gz RLQVUSPGRVYQTO-RYUDHWBXSA-N 0 1 296.361 3.086 20 30 CGEDMN CCCCCCCN1CC[C@H]1CNC(=O)c1ccoc1C ZINC001483632416 927553360 /nfs/dbraw/zinc/55/33/60/927553360.db2.gz ZXOUINNZZQPYHG-HNNXBMFYSA-N 0 1 292.423 3.363 20 30 CGEDMN C=CCN1C[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485583278 927892443 /nfs/dbraw/zinc/89/24/43/927892443.db2.gz ZNSIRHFSJCFYTP-GJZGRUSLSA-N 0 1 294.483 3.461 20 30 CGEDMN C=C(C)CN1CC[C@H](NC(=O)[C@@](C)(F)CCCC)[C@H]1C ZINC001489274474 928322697 /nfs/dbraw/zinc/32/26/97/928322697.db2.gz BNGGTSSQSHXGMD-YCPHGPKFSA-N 0 1 284.419 3.060 20 30 CGEDMN C=C[C@H](CC)CC(=O)N[C@@H]1CCCN(CC(=C)Cl)CC1 ZINC001327148280 928621838 /nfs/dbraw/zinc/62/18/38/928621838.db2.gz SATFAIDHLKTBCZ-HUUCEWRRSA-N 0 1 298.858 3.312 20 30 CGEDMN C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN(C/C=C\Cl)C1 ZINC001491118015 928833116 /nfs/dbraw/zinc/83/31/16/928833116.db2.gz WHXYCJLCEHZWAC-QPBFKRLHSA-N 0 1 298.858 3.169 20 30 CGEDMN C=CCN1CCCC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001491223846 928845336 /nfs/dbraw/zinc/84/53/36/928845336.db2.gz FOAXDMOOBVDHDW-HNNXBMFYSA-N 0 1 278.440 3.114 20 30 CGEDMN CCCCCCCC[C@H](C)C(=O)NC[C@H]1CCN1C ZINC001439522508 937318600 /nfs/dbraw/zinc/31/86/00/937318600.db2.gz CJHZJTCLZAWMFW-LSDHHAIUSA-N 0 1 268.445 3.193 20 30 CGEDMN C=CCCCCCN(CC(=O)OCC)C1CCC1 ZINC001459909343 937505788 /nfs/dbraw/zinc/50/57/88/937505788.db2.gz JXEGOQWZVOQZBT-UHFFFAOYSA-N 0 1 253.386 3.150 20 30 CGEDMN C#CCN(CCOc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001460118211 937516125 /nfs/dbraw/zinc/51/61/25/937516125.db2.gz JBVOWNHGBQAVKT-UHFFFAOYSA-N 0 1 284.186 3.470 20 30 CGEDMN C#C[C@H]1CCCCN1Cc1cccc(OC(C)C)c1 ZINC001460911914 937552792 /nfs/dbraw/zinc/55/27/92/937552792.db2.gz AXUANYSJLSZUEJ-INIZCTEOSA-N 0 1 257.377 3.462 20 30 CGEDMN N#CCC[C@H](C#N)CN1CCC[C@@H](C2CCCC2)C1 ZINC001460954134 937555371 /nfs/dbraw/zinc/55/53/71/937555371.db2.gz YHGLGNPTKTVNMF-GDBMZVCRSA-N 0 1 259.397 3.332 20 30 CGEDMN CC1=C(OC[C@H](C)COCc2ccccc2)C(=O)[C@H](C)O1 ZINC001225002777 932038195 /nfs/dbraw/zinc/03/81/95/932038195.db2.gz FCMKLPOGNNDRMT-OLZOCXBDSA-N 0 1 290.359 3.075 20 30 CGEDMN CCN1CCC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229251008 932124031 /nfs/dbraw/zinc/12/40/31/932124031.db2.gz SGTNRFUAWNTCFG-LBPRGKRZSA-N 0 1 264.756 3.075 20 30 CGEDMN CC#CCN1CCC(NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001229329792 932134486 /nfs/dbraw/zinc/13/44/86/932134486.db2.gz HBHUBEWMBIZAKU-OAHLLOKOSA-N 0 1 292.467 3.053 20 30 CGEDMN N#Cc1ccc(CNC[C@@H]2OCc3ccccc32)c(F)c1 ZINC001461822931 937599696 /nfs/dbraw/zinc/59/96/96/937599696.db2.gz XFZIQZQNUQJVAS-KRWDZBQOSA-N 0 1 282.318 3.058 20 30 CGEDMN CC[C@@H](C#Cc1ccccc1)Oc1nc[nH]c(=O)c1Cl ZINC001230018120 932522321 /nfs/dbraw/zinc/52/23/21/932522321.db2.gz NHNHJDMZDCEVNX-LBPRGKRZSA-N 0 1 288.734 3.045 20 30 CGEDMN C=C[C@@H](Oc1nc[nH]c(=O)c1Cl)c1ccccc1 ZINC001230018013 932522605 /nfs/dbraw/zinc/52/26/05/932522605.db2.gz LPVHFOABHKYSLN-SNVBAGLBSA-N 0 1 262.696 3.142 20 30 CGEDMN COC(=O)c1nc2ccc(-c3cc(F)cc(C#N)c3)cc2[nH]1 ZINC001241657872 932699949 /nfs/dbraw/zinc/69/99/49/932699949.db2.gz LYGPUNZSWHRSHW-UHFFFAOYSA-N 0 1 295.273 3.027 20 30 CGEDMN N#C[C@@H]1CC[C@H](NCc2ccc(F)c(Cl)c2F)C1 ZINC001254644029 932724999 /nfs/dbraw/zinc/72/49/99/932724999.db2.gz UBVRYILPOJIMSK-SCZZXKLOSA-N 0 1 270.710 3.400 20 30 CGEDMN C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(CC(=C)Cl)C1 ZINC001317211142 932819111 /nfs/dbraw/zinc/81/91/11/932819111.db2.gz WTVCTZQIFPETLC-LSDHHAIUSA-N 0 1 298.858 3.312 20 30 CGEDMN C=C[C@](C)(CC)C(=O)N1CCC[C@H](N(C)C/C=C\Cl)C1 ZINC001317380141 932862124 /nfs/dbraw/zinc/86/21/24/932862124.db2.gz ZHUWUGKHZFNGTQ-SLLMGYAOSA-N 0 1 298.858 3.264 20 30 CGEDMN N#Cc1ccc(CNc2ccncc2C(F)(F)F)c(F)c1 ZINC001306960702 932901966 /nfs/dbraw/zinc/90/19/66/932901966.db2.gz PZVUAMCFFSJLFF-UHFFFAOYSA-N 0 1 295.239 3.145 20 30 CGEDMN C=CC[C@H](C(=O)OC)N1CCC[C@](C)(c2ccccc2)C1 ZINC001307464484 932956420 /nfs/dbraw/zinc/95/64/20/932956420.db2.gz ICOYOIFNCFBODP-AEFFLSMTSA-N 0 1 287.403 3.158 20 30 CGEDMN C=C(CC)CN1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001307706684 932989675 /nfs/dbraw/zinc/98/96/75/932989675.db2.gz RXTJQJOSWBTOGK-OKILXGFUSA-N 0 1 282.428 3.282 20 30 CGEDMN COc1cc(F)cc(CNCc2csc(C#N)c2)c1 ZINC001308334660 933096251 /nfs/dbraw/zinc/09/62/51/933096251.db2.gz HTTGQLXKWBXECF-UHFFFAOYSA-N 0 1 276.336 3.057 20 30 CGEDMN C[C@H]1Cc2cc(CNCC#Cc3ccccc3)ccc2O1 ZINC001308931378 933206212 /nfs/dbraw/zinc/20/62/12/933206212.db2.gz JQJVDDSWOPICIB-HNNXBMFYSA-N 0 1 277.367 3.151 20 30 CGEDMN C=CCN1CC[C@@H](N(CCC)C(=O)C[C@H](C=C)CC)C1 ZINC001317762549 933643721 /nfs/dbraw/zinc/64/37/21/933643721.db2.gz AZKLMFVPYDUBBJ-HZPDHXFCSA-N 0 1 278.440 3.088 20 30 CGEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@H](CC)CC(C)C ZINC001319556423 933892337 /nfs/dbraw/zinc/89/23/37/933892337.db2.gz BBCMFPADLSXDQH-ZIAGYGMSSA-N 0 1 288.863 3.248 20 30 CGEDMN CCCCCCCc1nc([C@H]2CN3CCC2CC3)no1 ZINC001320327683 934032247 /nfs/dbraw/zinc/03/22/47/934032247.db2.gz LITRCZHSLMFBAV-AWEZNQCLSA-N 0 1 277.412 3.392 20 30 CGEDMN Cn1ccc(N=NCc2c(Cl)ccc3cccnc32)n1 ZINC001320805082 934107458 /nfs/dbraw/zinc/10/74/58/934107458.db2.gz AAFBIKWSZGYOJF-UHFFFAOYSA-N 0 1 285.738 3.068 20 30 CGEDMN C=C[C@@H](COC)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC001321241404 934168885 /nfs/dbraw/zinc/16/88/85/934168885.db2.gz NVDPXNZIWKXNBC-KOLCDFICSA-N 0 1 257.736 3.331 20 30 CGEDMN CC(C)=C[C@H]1[C@H](C(=O)NOc2cccc(C#N)c2)C1(C)C ZINC001471085354 937761613 /nfs/dbraw/zinc/76/16/13/937761613.db2.gz DKFMAFMGPYHCBA-LSDHHAIUSA-N 0 1 284.359 3.207 20 30 CGEDMN C=CC[C@H](C(=O)Nc1nc(C(C)C)n[nH]1)c1ccccc1 ZINC001324226086 934473948 /nfs/dbraw/zinc/47/39/48/934473948.db2.gz WIUUMNIRGDTDBB-ZDUSSCGKSA-N 0 1 284.363 3.227 20 30 CGEDMN C=CC[C@H](C(=O)Nc1n[nH]c(C(C)C)n1)c1ccccc1 ZINC001324226086 934473955 /nfs/dbraw/zinc/47/39/55/934473955.db2.gz WIUUMNIRGDTDBB-ZDUSSCGKSA-N 0 1 284.363 3.227 20 30 CGEDMN C#Cc1ccc(NC(=O)C[N@H+](C)CCCCCC)cc1 ZINC001472286017 937774600 /nfs/dbraw/zinc/77/46/00/937774600.db2.gz LLUZPEOHAQYKDO-UHFFFAOYSA-N 0 1 272.392 3.119 20 30 CGEDMN C#Cc1ccc(NC(=O)CN(C)CCCCCC)cc1 ZINC001472286017 937774601 /nfs/dbraw/zinc/77/46/01/937774601.db2.gz LLUZPEOHAQYKDO-UHFFFAOYSA-N 0 1 272.392 3.119 20 30 CGEDMN CCCCCCCCC(=O)NCc1n[nH]c(C(C)C)n1 ZINC001324525819 934519389 /nfs/dbraw/zinc/51/93/89/934519389.db2.gz GCDBLAUZFQYEEB-UHFFFAOYSA-N 0 1 280.416 3.295 20 30 CGEDMN N#Cc1ccnc(CN[C@@H](c2cccs2)C2CC2)c1 ZINC001473325154 937801853 /nfs/dbraw/zinc/80/18/53/937801853.db2.gz NVHQBPRJGDXFPD-OAHLLOKOSA-N 0 1 269.373 3.256 20 30 CGEDMN C[C@H](C#N)CN(C[C@H](C)COCc1ccccc1)C1CC1 ZINC001473342585 937802645 /nfs/dbraw/zinc/80/26/45/937802645.db2.gz PARNIMOXRNJFBD-CVEARBPZSA-N 0 1 286.419 3.463 20 30 CGEDMN C=CCO[C@H]1CCN(Cc2cc(Cl)ccc2OC)C1 ZINC001325221621 934895543 /nfs/dbraw/zinc/89/55/43/934895543.db2.gz BFQIJXREOPYRHM-AWEZNQCLSA-N 0 1 281.783 3.126 20 30 CGEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(CC)cc2)C1 ZINC001473627314 937814808 /nfs/dbraw/zinc/81/48/08/937814808.db2.gz IPHBVDPAAFDESY-MRXNPFEDSA-N 0 1 286.419 3.476 20 30 CGEDMN C=CCC1(c2nc([C@H]3CN4CCC3CC4)no2)CCCC1 ZINC001326622944 934995300 /nfs/dbraw/zinc/99/53/00/934995300.db2.gz NLWOTRALHMIKNV-AWEZNQCLSA-N 0 1 287.407 3.267 20 30 CGEDMN C=C(C)CN1Cc2ccc(CNC(=O)C(C)(C)C)cc2C1 ZINC001327696436 935079741 /nfs/dbraw/zinc/07/97/41/935079741.db2.gz SNUNVVFUCXRNOA-UHFFFAOYSA-N 0 1 286.419 3.241 20 30 CGEDMN C#CCN1CC[C@H](NC(=O)C(CC)(CC)CC)C(C)(C)C1 ZINC001328098564 935116518 /nfs/dbraw/zinc/11/65/18/935116518.db2.gz OLLVOYBNFWVUCU-HNNXBMFYSA-N 0 1 292.467 3.053 20 30 CGEDMN COc1cc(C)cc(C=NNc2cccc(C)n2)c1OC ZINC001331976216 935429085 /nfs/dbraw/zinc/42/90/85/935429085.db2.gz LGKUZDUYGROKGR-UHFFFAOYSA-N 0 1 285.347 3.162 20 30 CGEDMN C#CCN(C)CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC001332736111 935486455 /nfs/dbraw/zinc/48/64/55/935486455.db2.gz WDSRGNLXYYHGOG-IAGOWNOFSA-N 0 1 292.467 3.005 20 30 CGEDMN C#CCC1(NCc2nc3c(s2)C[C@H](C)CC3)CCC1 ZINC001333519084 935543146 /nfs/dbraw/zinc/54/31/46/935543146.db2.gz LKUZXLTZPWAJSQ-GFCCVEGCSA-N 0 1 274.433 3.304 20 30 CGEDMN C/C(=C/c1ccccc1)CN1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001333718120 936058889 /nfs/dbraw/zinc/05/88/89/936058889.db2.gz FOIAWIUECGFVPO-OYZXAGTJSA-N 0 1 283.419 3.008 20 30 CGEDMN C[C@]1(C#N)CCCN(CCCCC2(C#N)CCC2)C1 ZINC001334044870 936081997 /nfs/dbraw/zinc/08/19/97/936081997.db2.gz WAUPPCQEVBTZBK-OAHLLOKOSA-N 0 1 259.397 3.476 20 30 CGEDMN C=CCCC[C@@H](Nc1nccnc1CN)c1ccccc1 ZINC001336714919 936209602 /nfs/dbraw/zinc/20/96/02/936209602.db2.gz OVUNZCBKQQIVMW-OAHLLOKOSA-N 0 1 282.391 3.445 20 30 CGEDMN C=C(C)CCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC001337378716 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382235482 /nfs/dbraw/zinc/23/54/82/382235482.db2.gz LRFPXSRSJZTNPA-UHFFFAOYSA-N 0 1 299.443 3.481 20 30 CGEDMN C=CCCCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000366777934 382318192 /nfs/dbraw/zinc/31/81/92/382318192.db2.gz AZPTZTWRVJQUHP-WBVHZDCISA-N 0 1 290.382 3.043 20 30 CGEDMN C[C@@H](C#N)CN(CCCCOC(C)(C)C)C1CC1 ZINC000354735274 533149242 /nfs/dbraw/zinc/14/92/42/533149242.db2.gz PPEAYDBHZROLSK-ZDUSSCGKSA-N 0 1 252.402 3.206 20 30 CGEDMN CC(C)(C)OC(=O)NC1(CNCCC#N)CCCCCC1 ZINC000497224528 262116773 /nfs/dbraw/zinc/11/67/73/262116773.db2.gz BNYDCRUDEBVVAE-UHFFFAOYSA-N 0 1 295.427 3.107 20 30 CGEDMN N#Cc1cccc(CN[C@H](c2cncc(F)c2)C2CC2)c1 ZINC000281331361 195200018 /nfs/dbraw/zinc/20/00/18/195200018.db2.gz UAFKSXWGCOGVRO-KRWDZBQOSA-N 0 1 281.334 3.333 20 30 CGEDMN COc1ccc(CN(C)Cc2cccc(C#N)c2)cc1F ZINC000026256637 391951219 /nfs/dbraw/zinc/95/12/19/391951219.db2.gz CJDGCYQOMDFSFY-UHFFFAOYSA-N 0 1 284.334 3.338 20 30 CGEDMN C=C(CN[C@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282429870 392291304 /nfs/dbraw/zinc/29/13/04/392291304.db2.gz YZPMZOXQZKFEJD-CQSZACIVSA-N 0 1 255.365 3.093 20 30 CGEDMN COc1ccc(CCN(CCC#N)CC(C)C)cc1OC ZINC000115556459 392389880 /nfs/dbraw/zinc/38/98/80/392389880.db2.gz RALMRNNSBJZFSQ-UHFFFAOYSA-N 0 1 290.407 3.118 20 30 CGEDMN C=C[C@H](CO)NCc1ccc(-c2ccc(F)cc2C)o1 ZINC000289948877 392438459 /nfs/dbraw/zinc/43/84/59/392438459.db2.gz URTQGUYNPLUIBD-CYBMUJFWSA-N 0 1 275.323 3.031 20 30 CGEDMN C[C@@H](NC[C@H](C#N)CCC#N)c1cccc(N2CCCC2)c1 ZINC000126455985 392441619 /nfs/dbraw/zinc/44/16/19/392441619.db2.gz GWNMXBXEKKYTGI-CVEARBPZSA-N 0 1 296.418 3.381 20 30 CGEDMN CN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CCC1 ZINC000174877015 392647653 /nfs/dbraw/zinc/64/76/53/392647653.db2.gz HTVVTBZAWUYGCL-UHFFFAOYSA-N 0 1 295.386 3.222 20 30 CGEDMN Cc1ccc2nc([C@@H]3CCCN3CC3(C#N)CC3)[nH]c2c1 ZINC000336265622 392844494 /nfs/dbraw/zinc/84/44/94/392844494.db2.gz CZFVUSAACJWSLJ-HNNXBMFYSA-N 0 1 280.375 3.312 20 30 CGEDMN Cc1cc(C#N)ccc1CN(C)Cc1cc(Cl)cn1C ZINC000186256243 392780666 /nfs/dbraw/zinc/78/06/66/392780666.db2.gz HTVKDVDNDOESMX-UHFFFAOYSA-N 0 1 287.794 3.491 20 30 CGEDMN N#C[C@H]1CCC[C@H](NCc2cn3cc(Cl)ccc3n2)C1 ZINC000335712610 392809097 /nfs/dbraw/zinc/80/90/97/392809097.db2.gz HZRFCDNLIPSOSK-AAEUAGOBSA-N 0 1 288.782 3.160 20 30 CGEDMN Cc1nc2ccc(NC(=O)[C@]3(C#N)CC34CCCC4)cc2[nH]1 ZINC000519683815 392881996 /nfs/dbraw/zinc/88/19/96/392881996.db2.gz PESJSILHGCJYSZ-QGZVFWFLSA-N 0 1 294.358 3.284 20 30 CGEDMN CCOc1ccccc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000338930739 392936209 /nfs/dbraw/zinc/93/62/09/392936209.db2.gz XEUAEGOFEXSYIU-HIFRSBDPSA-N 0 1 258.365 3.209 20 30 CGEDMN CCOc1ccccc1CN(C)[C@H]1CC[C@@H](C#N)C1 ZINC000338930739 392936211 /nfs/dbraw/zinc/93/62/11/392936211.db2.gz XEUAEGOFEXSYIU-HIFRSBDPSA-N 0 1 258.365 3.209 20 30 CGEDMN COCCCCN(C)Cc1ccc(C#N)cc1Cl ZINC000397308282 392944152 /nfs/dbraw/zinc/94/41/52/392944152.db2.gz NLXKZBWTXOTBCI-UHFFFAOYSA-N 0 1 266.772 3.070 20 30 CGEDMN C=CCOc1ccc(CNCc2cc(C)ns2)cc1 ZINC000404320215 392964975 /nfs/dbraw/zinc/96/49/75/392964975.db2.gz ITLFEOBOWUBJNN-UHFFFAOYSA-N 0 1 274.389 3.306 20 30 CGEDMN N#Cc1ccccc1OCCN1CCC[C@@H]1c1ccccn1 ZINC000530962339 392988285 /nfs/dbraw/zinc/98/82/85/392988285.db2.gz OUMOMUSEGDDMGN-QGZVFWFLSA-N 0 1 293.370 3.169 20 30 CGEDMN COCC1(C#N)CCN(C/C(C)=C\c2ccccc2)CC1 ZINC000342836603 393010711 /nfs/dbraw/zinc/01/07/11/393010711.db2.gz KICLQTIDAAVTLF-VBKFSLOCSA-N 0 1 284.403 3.342 20 30 CGEDMN Cn1cc2c(n1)CCC[C@H]2N[C@H](CCC#N)c1ccccc1 ZINC000358964714 393532299 /nfs/dbraw/zinc/53/22/99/393532299.db2.gz LIHDGUXPFVKOSI-IAGOWNOFSA-N 0 1 294.402 3.432 20 30 CGEDMN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(CC#N)c1 ZINC000360429763 393567851 /nfs/dbraw/zinc/56/78/51/393567851.db2.gz UAZNBTCRXGDCAK-UHFFFAOYSA-N 0 1 290.326 3.190 20 30 CGEDMN C=C[C@@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000489463230 393598219 /nfs/dbraw/zinc/59/82/19/393598219.db2.gz ZMORNMGJHKBZHA-OAHLLOKOSA-N 0 1 256.349 3.107 20 30 CGEDMN C=C1CCN(Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667601805 542897790 /nfs/dbraw/zinc/89/77/90/542897790.db2.gz KHTBBIHYPGRCOY-QGZVFWFLSA-N 0 1 273.376 3.006 20 30 CGEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(C)CC1 ZINC000070943485 397639375 /nfs/dbraw/zinc/63/93/75/397639375.db2.gz MPSKSPDXKWSJLS-MRXNPFEDSA-N 0 1 299.418 3.054 20 30 CGEDMN C[C@](CO)(NCC#Cc1cccc(Cl)c1)c1ccccc1 ZINC000676558077 543404507 /nfs/dbraw/zinc/40/45/07/543404507.db2.gz FULIKOSEGJTAHQ-GOSISDBHSA-N 0 1 299.801 3.189 20 30 CGEDMN CCC#C[C@H](C)N(C)Cc1cc(OC)c(OC)cc1C ZINC000677132562 543435385 /nfs/dbraw/zinc/43/53/85/543435385.db2.gz FOQLBRGBQRQHLJ-AWEZNQCLSA-N 0 1 275.392 3.246 20 30 CGEDMN CCCN(CC#CCOC)[C@@H](C)c1ccccc1OC ZINC000677818958 543468357 /nfs/dbraw/zinc/46/83/57/543468357.db2.gz ZBCQLLFGYCRZHO-HNNXBMFYSA-N 0 1 275.392 3.118 20 30 CGEDMN COCC#CCN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000678315358 543514302 /nfs/dbraw/zinc/51/43/02/543514302.db2.gz BHYKYRHBOFSINC-UHFFFAOYSA-N 0 1 269.388 3.042 20 30 CGEDMN COCC#CCN[C@@H](c1ccccc1F)C1CCCC1 ZINC000678793687 543559606 /nfs/dbraw/zinc/55/96/06/543559606.db2.gz JPTDZIVGBRJICM-QGZVFWFLSA-N 0 1 275.367 3.296 20 30 CGEDMN N#Cc1ccc(CN2CCC(OC3CCCC3)CC2)o1 ZINC000092758725 165313881 /nfs/dbraw/zinc/31/38/81/165313881.db2.gz DROOHSCSMIVMSQ-UHFFFAOYSA-N 0 1 274.364 3.075 20 30 CGEDMN C[C@@H](NCc1ccc(C#N)s1)c1ccc(C#N)cc1 ZINC000135675871 165445447 /nfs/dbraw/zinc/44/54/47/165445447.db2.gz HPAIFRVGGUXYGA-LLVKDONJSA-N 0 1 267.357 3.342 20 30 CGEDMN Cc1noc(C)c1C(C)(C)NCc1cccc(C#N)c1 ZINC000285542979 196320796 /nfs/dbraw/zinc/32/07/96/196320796.db2.gz QQZQLRTYKALGGT-UHFFFAOYSA-N 0 1 269.348 3.188 20 30 CGEDMN OC1(c2ccccc2)CCN(CC#Cc2ccccc2)CC1 ZINC000039203493 174165573 /nfs/dbraw/zinc/16/55/73/174165573.db2.gz WSRWWTJRVKILMX-UHFFFAOYSA-N 0 1 291.394 3.022 20 30 CGEDMN Cc1ccsc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000046440572 175396141 /nfs/dbraw/zinc/39/61/41/175396141.db2.gz MGCMKNKMCBVUAX-JTQLQIEISA-N 0 1 281.340 3.423 20 30 CGEDMN C=C(CN[C@H](CC)c1ccn(C)n1)c1ccccc1 ZINC000680461945 543712057 /nfs/dbraw/zinc/71/20/57/543712057.db2.gz FJUJDJSIGKBRCR-OAHLLOKOSA-N 0 1 255.365 3.174 20 30 CGEDMN C[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000334176191 287359343 /nfs/dbraw/zinc/35/93/43/287359343.db2.gz AGLZZKGSZFLYHL-DOMZBBRYSA-N 0 1 271.364 3.257 20 30 CGEDMN Cc1ccc(CN(C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000130757112 287362535 /nfs/dbraw/zinc/36/25/35/287362535.db2.gz LXQJBAKCXCBEIA-UHFFFAOYSA-N 0 1 295.342 3.407 20 30 CGEDMN Cc1c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)ccn1C ZINC000684949884 544042554 /nfs/dbraw/zinc/04/25/54/544042554.db2.gz KGYTTXQQIFHNTP-ZDUSSCGKSA-N 0 1 292.342 3.008 20 30 CGEDMN C[C@@H](C#N)CN(C)CC[C@@H](C)OCc1ccccc1 ZINC000354862835 227180658 /nfs/dbraw/zinc/18/06/58/227180658.db2.gz ITFDRVSEVALACV-LSDHHAIUSA-N 0 1 260.381 3.073 20 30 CGEDMN Cc1cnc([C@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)o1 ZINC000329091999 227292644 /nfs/dbraw/zinc/29/26/44/227292644.db2.gz AKBDNIQQZUPRGU-JSGCOSHPSA-N 0 1 291.395 3.123 20 30 CGEDMN C=CCCCC[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000652499928 418975714 /nfs/dbraw/zinc/97/57/14/418975714.db2.gz SKEOXCPRDGWUJI-CYBMUJFWSA-N 0 1 253.386 3.166 20 30 CGEDMN C=CCCN1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664940778 419028957 /nfs/dbraw/zinc/02/89/57/419028957.db2.gz MRBMESQWDFEGJE-UHFFFAOYSA-N 0 1 287.338 3.025 20 30 CGEDMN C=CCCCCCNC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000655247035 419032422 /nfs/dbraw/zinc/03/24/22/419032422.db2.gz VWUQBVANAWQUBP-UHFFFAOYSA-N 0 1 289.301 3.213 20 30 CGEDMN C=C(CC)C[N@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000659793781 418991430 /nfs/dbraw/zinc/99/14/30/418991430.db2.gz TVIPTIYMIVWNHB-GJZGRUSLSA-N 0 1 265.397 3.308 20 30 CGEDMN C=CCN(Cc1cccs1)[C@H](C)c1n[nH]c(CC)n1 ZINC000659815588 418998157 /nfs/dbraw/zinc/99/81/57/418998157.db2.gz HDAKQRRZFABIDE-LLVKDONJSA-N 0 1 276.409 3.178 20 30 CGEDMN C=CCCn1cc(CN(C)[C@H](C)Cc2ccccc2C)nn1 ZINC000653647668 419065289 /nfs/dbraw/zinc/06/52/89/419065289.db2.gz PPEFZKSQMUDRLX-MRXNPFEDSA-N 0 1 298.434 3.226 20 30 CGEDMN C=CCC1(NC(=O)[C@H]2CCCc3[nH]ncc32)CCCCC1 ZINC000654021094 419131783 /nfs/dbraw/zinc/13/17/83/419131783.db2.gz RECSELJMLVNBET-ZDUSSCGKSA-N 0 1 287.407 3.225 20 30 CGEDMN C=CCN(Cc1cc(C)ccc1F)[C@@H](C)COC ZINC000661241313 419244168 /nfs/dbraw/zinc/24/41/68/419244168.db2.gz VQAVWTROYCYCOY-ZDUSSCGKSA-N 0 1 251.345 3.157 20 30 CGEDMN C=CCN(Cc1ccc(-c2ccccn2)nc1)[C@@H](C)COC ZINC000661241087 419244276 /nfs/dbraw/zinc/24/42/76/419244276.db2.gz WTKDLQFBOQFRHW-HNNXBMFYSA-N 0 1 297.402 3.167 20 30 CGEDMN C=CCOc1ccccc1CN1CCC(C)(C#N)CC1 ZINC000356961611 260120193 /nfs/dbraw/zinc/12/01/93/260120193.db2.gz RNTRLKTZOGMFES-UHFFFAOYSA-N 0 1 270.376 3.377 20 30 CGEDMN C[C@@H]1CCc2ccccc2[C@H]1NC[C@@H](C#N)CCC#N ZINC000518168989 260347700 /nfs/dbraw/zinc/34/77/00/260347700.db2.gz OLSAODPPCUEGMS-CPUCHLNUSA-N 0 1 267.376 3.343 20 30 CGEDMN C=CCOc1ccc(CN2C[C@H](O)C(C)(C)C2)cc1Cl ZINC000448360690 261126247 /nfs/dbraw/zinc/12/62/47/261126247.db2.gz CRTOXFQEBYKQNG-HNNXBMFYSA-N 0 1 295.810 3.108 20 30 CGEDMN C=CC[C@@H]1[N@H+](Cc2nc(CC)cc(=O)[n-]2)CCCC1(C)C ZINC000444785655 261179560 /nfs/dbraw/zinc/17/95/60/261179560.db2.gz RQDLUQLYKHLICV-AWEZNQCLSA-N 0 1 289.423 3.311 20 30 CGEDMN C=CC[C@@H]1[N@@H+](Cc2nc(CC)cc(=O)[n-]2)CCCC1(C)C ZINC000444785655 261179561 /nfs/dbraw/zinc/17/95/61/261179561.db2.gz RQDLUQLYKHLICV-AWEZNQCLSA-N 0 1 289.423 3.311 20 30 CGEDMN C=CC1CCN([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000111259686 262258848 /nfs/dbraw/zinc/25/88/48/262258848.db2.gz RPSQHOWXRDTLPZ-NSHDSACASA-N 0 1 294.345 3.190 20 30 CGEDMN C=CCOCCN1CCC(c2ncccc2Cl)CC1 ZINC000339124671 262599945 /nfs/dbraw/zinc/59/99/45/262599945.db2.gz JVHSRQAHVFISTH-UHFFFAOYSA-N 0 1 280.799 3.117 20 30 CGEDMN COc1c(Cl)cc(Cl)cc1CNCCCC#N ZINC000273056707 263011864 /nfs/dbraw/zinc/01/18/64/263011864.db2.gz LQQHDQQUELDPMD-UHFFFAOYSA-N 0 1 273.163 3.395 20 30 CGEDMN Cc1cnc(C(C)(C)NCCC(C)(C)C#N)s1 ZINC000273341487 263015871 /nfs/dbraw/zinc/01/58/71/263015871.db2.gz WVBKURZAJXGYBT-UHFFFAOYSA-N 0 1 251.399 3.216 20 30 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/nfs/dbraw/zinc/71/23/14/635712314.db2.gz FVLCTONHELYPFS-GOSISDBHSA-N 0 1 292.382 3.218 20 30 CGEDMN Cc1ccc(CN[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1C#N ZINC000880222278 635942542 /nfs/dbraw/zinc/94/25/42/635942542.db2.gz LERZSFYZLRLSQP-KDURUIRLSA-N 0 1 292.382 3.007 20 30 CGEDMN C=CCCC[C@H](NCc1cnnn1C)c1ccccc1 ZINC000880388924 635992097 /nfs/dbraw/zinc/99/20/97/635992097.db2.gz CCPFLCBHTRXHFI-INIZCTEOSA-N 0 1 270.380 3.002 20 30 CGEDMN N#CC(C(=O)[C@@H]1CCc2ccccc2C1)c1ccccn1 ZINC000845441755 636036393 /nfs/dbraw/zinc/03/63/93/636036393.db2.gz SVLHHFMXIDZVFO-HZPDHXFCSA-N 0 1 276.339 3.063 20 30 CGEDMN C[C@H](C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)C1CCC1 ZINC000845843882 636106562 /nfs/dbraw/zinc/10/65/62/636106562.db2.gz MYPAUJWLSKEQTL-XJKSGUPXSA-N 0 1 295.382 3.432 20 30 CGEDMN C=CC(C)(C)CCCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC000881457965 636111915 /nfs/dbraw/zinc/11/19/15/636111915.db2.gz RJYULUWHPAKWLG-WFASDCNBSA-N 0 1 289.423 3.184 20 30 CGEDMN C#CC[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000845987170 636126771 /nfs/dbraw/zinc/12/67/71/636126771.db2.gz GEHBUOWHKQXNOU-CYBMUJFWSA-N 0 1 291.366 3.078 20 30 CGEDMN C[C@H](CC(=O)Nc1ccccc1)NCC1(C#N)CCCC1 ZINC000846011735 636128860 /nfs/dbraw/zinc/12/88/60/636128860.db2.gz YVHCQGJOJCERPU-CQSZACIVSA-N 0 1 285.391 3.077 20 30 CGEDMN N#C[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000846054786 636138847 /nfs/dbraw/zinc/13/88/47/636138847.db2.gz GCUQIZOUMHXOJE-GXFFZTMASA-N 0 1 264.756 3.218 20 30 CGEDMN C=CCCC[C@@H](NC(=O)[C@@H](C)N(C)C)c1ccccc1 ZINC000882236275 636294619 /nfs/dbraw/zinc/29/46/19/636294619.db2.gz FIVRZKDJHZSSQF-GDBMZVCRSA-N 0 1 274.408 3.150 20 30 CGEDMN C#C[C@H]1CCCN([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000847022934 636314125 /nfs/dbraw/zinc/31/41/25/636314125.db2.gz KCERNYWFNURJDU-GJZGRUSLSA-N 0 1 295.386 3.451 20 30 CGEDMN CCCCCCCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000847611588 636402941 /nfs/dbraw/zinc/40/29/41/636402941.db2.gz NPDSYTOZFVBGPN-CYBMUJFWSA-N 0 1 265.401 3.065 20 30 CGEDMN C=C(CNCc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000882934946 636468120 /nfs/dbraw/zinc/46/81/20/636468120.db2.gz YZAFKACONXZHGB-UHFFFAOYSA-N 0 1 255.365 3.336 20 30 CGEDMN Cc1cc(CN(C)Cc2cccc(C#N)c2)c(C)o1 ZINC000130773745 636511674 /nfs/dbraw/zinc/51/16/74/636511674.db2.gz OQVPQITYOBUFKN-UHFFFAOYSA-N 0 1 254.333 3.400 20 30 CGEDMN C#C[C@H]1CCCN(C(=O)c2c(O)cc(Cl)cc2Cl)C1 ZINC000848281376 636551435 /nfs/dbraw/zinc/55/14/35/636551435.db2.gz ZNBSWQBFKGDEPX-VIFPVBQESA-N 0 1 298.169 3.184 20 30 CGEDMN CCC(CC)CNN=C1CCCN2CCCC[C@H]12 ZINC000848408876 636569287 /nfs/dbraw/zinc/56/92/87/636569287.db2.gz DMVHPDHITPATGU-OAHLLOKOSA-N 0 1 251.418 3.017 20 30 CGEDMN CC(C)c1ccccc1CNCc1ccc(C#N)cn1 ZINC000848548257 636601095 /nfs/dbraw/zinc/60/10/95/636601095.db2.gz BNPJPGWRYFXTLV-UHFFFAOYSA-N 0 1 265.360 3.366 20 30 CGEDMN C=CCCCCC[C@@H](C)[NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1 ZINC000848558980 636605392 /nfs/dbraw/zinc/60/53/92/636605392.db2.gz WTIRAPZBJFLHAO-KGLIPLIRSA-N 0 1 292.427 3.271 20 30 CGEDMN C#C[C@H]1CCCN(c2ccnc3cc(F)c(OC)cc32)C1 ZINC000848751996 636650639 /nfs/dbraw/zinc/65/06/39/636650639.db2.gz ZENUKXFIMNGMIE-LBPRGKRZSA-N 0 1 284.334 3.232 20 30 CGEDMN C=C[C@H]1CCCCN1Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848907564 636685159 /nfs/dbraw/zinc/68/51/59/636685159.db2.gz PHWWGNMOULGNLC-XPSMFNQNSA-N 0 1 275.348 3.006 20 30 CGEDMN C#C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000848924003 636695575 /nfs/dbraw/zinc/69/55/75/636695575.db2.gz MEHGVLKXAUEXEZ-AWEZNQCLSA-N 0 1 265.356 3.391 20 30 CGEDMN C#C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000848924003 636695579 /nfs/dbraw/zinc/69/55/79/636695579.db2.gz MEHGVLKXAUEXEZ-AWEZNQCLSA-N 0 1 265.356 3.391 20 30 CGEDMN C=C(C)C[C@@H](CO)NCc1csc(-c2cccs2)n1 ZINC000883400192 636741362 /nfs/dbraw/zinc/74/13/62/636741362.db2.gz GODHRKWMZJFGBK-NSHDSACASA-N 0 1 294.445 3.288 20 30 CGEDMN N#C[C@H](C(=O)[C@@H]1CCC[C@H]2C[C@H]21)c1cnc2ccccc2n1 ZINC000850984680 637211417 /nfs/dbraw/zinc/21/14/17/637211417.db2.gz AYTLTNWHJIYEHY-DGAVXFQQSA-N 0 1 291.354 3.242 20 30 CGEDMN N#CC1(CC(=O)OCc2cc(C3CC3)[nH]n2)CCCCC1 ZINC000851119147 637265707 /nfs/dbraw/zinc/26/57/07/637265707.db2.gz QJTOBSWQVSCLRH-UHFFFAOYSA-N 0 1 287.363 3.194 20 30 CGEDMN C#C[C@H]1CCCC[C@@H]1OC(=O)c1cc2[nH]cnc2cc1F ZINC000851538991 637436462 /nfs/dbraw/zinc/43/64/62/637436462.db2.gz ZJRFTHFQVHMCMB-BONVTDFDSA-N 0 1 286.306 3.051 20 30 CGEDMN C#CC[C@@H]1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000886357506 637511468 /nfs/dbraw/zinc/51/14/68/637511468.db2.gz IEILBNLOTVNQOI-GOEBONIOSA-N 0 1 295.386 3.067 20 30 CGEDMN C#CC[C@@H]1CCN(Cc2noc3c2CC(C)(C)CC3)C1 ZINC000886365380 637515381 /nfs/dbraw/zinc/51/53/81/637515381.db2.gz HFYUWXNZCLLBRY-CYBMUJFWSA-N 0 1 272.392 3.035 20 30 CGEDMN C#CCC1(NCc2coc(-c3ccccc3)n2)CCOCC1 ZINC000886381867 637522622 /nfs/dbraw/zinc/52/26/22/637522622.db2.gz VXDPIAFFYVHTCH-UHFFFAOYSA-N 0 1 296.370 3.004 20 30 CGEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(C)(C)C ZINC000852098255 637590955 /nfs/dbraw/zinc/59/09/55/637590955.db2.gz IINJCPKEIQAGKY-SFHVURJKSA-N 0 1 286.419 3.314 20 30 CGEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccccc1C(C)C ZINC000852098392 637592222 /nfs/dbraw/zinc/59/22/22/637592222.db2.gz LQXOAZISXXIGSL-KRWDZBQOSA-N 0 1 272.392 3.140 20 30 CGEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccccc1SC ZINC000852098619 637592481 /nfs/dbraw/zinc/59/24/81/637592481.db2.gz RJFSBACSCSOWPN-WBMJQRKESA-N 0 1 290.432 3.127 20 30 CGEDMN C#C[C@@](C)(CC)NCC(=O)Nc1ccc(Cl)cc1Cl ZINC000852099995 637594460 /nfs/dbraw/zinc/59/44/60/637594460.db2.gz FICDWALMMVIVSP-AWEZNQCLSA-N 0 1 299.201 3.323 20 30 CGEDMN C=CCCCN1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334517 637636707 /nfs/dbraw/zinc/63/67/07/637636707.db2.gz TWVWREORZXTTND-UHFFFAOYSA-N 0 1 298.308 3.469 20 30 CGEDMN C=CC[C@H]1CCCN(Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852410686 637648596 /nfs/dbraw/zinc/64/85/96/637648596.db2.gz PLFKCBFNAUMZBK-INIZCTEOSA-N 0 1 296.418 3.115 20 30 CGEDMN C#CCCCN(C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514981 637672511 /nfs/dbraw/zinc/67/25/11/637672511.db2.gz NKWYUIBCTXYNOM-ZDUSSCGKSA-N 0 1 286.202 3.372 20 30 CGEDMN C=CCCCCCN1CCn2ncc(Br)c2C1 ZINC000852625904 637686940 /nfs/dbraw/zinc/68/69/40/637686940.db2.gz NSROIFJFURRFAT-UHFFFAOYSA-N 0 1 298.228 3.208 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1c(C)nn(C)c1Cl ZINC000852685354 637695842 /nfs/dbraw/zinc/69/58/42/637695842.db2.gz FXRMFMPDVZFSMU-TXEJJXNPSA-N 0 1 265.788 3.065 20 30 CGEDMN C#Cc1cccnc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000853085893 637753680 /nfs/dbraw/zinc/75/36/80/637753680.db2.gz CWWKROCCOWJZTN-MRXNPFEDSA-N 0 1 295.386 3.295 20 30 CGEDMN CC(=NNc1cc(C)nc(C)n1)c1ccc(C(F)F)nc1 ZINC000853290624 637802363 /nfs/dbraw/zinc/80/23/63/637802363.db2.gz CLGLCFFVEQPCBV-UHFFFAOYSA-N 0 1 291.305 3.262 20 30 CGEDMN Cc1ccc(NN=Cc2ccc(O[C@H]3CCOC3)cc2)nc1 ZINC000853301317 637804073 /nfs/dbraw/zinc/80/40/73/637804073.db2.gz YJJGHDLUVXLUPR-INIZCTEOSA-N 0 1 297.358 3.004 20 30 CGEDMN Oc1c(Br)cccc1C=NOCC1CCC1 ZINC000853439508 637843720 /nfs/dbraw/zinc/84/37/20/637843720.db2.gz JLQGTTKQUZUVAW-UHFFFAOYSA-N 0 1 284.153 3.305 20 30 CGEDMN C[C@H](NCc1cccc(C#N)c1)c1cnn(C2CCC2)c1 ZINC000924641176 638381478 /nfs/dbraw/zinc/38/14/78/638381478.db2.gz WTIRMQNUILNTPM-ZDUSSCGKSA-N 0 1 280.375 3.331 20 30 CGEDMN C=C(C)COCCN[C@H](C)c1cccc(Br)n1 ZINC000925531482 638521463 /nfs/dbraw/zinc/52/14/63/638521463.db2.gz KSWGBSLNDFCSET-LLVKDONJSA-N 0 1 299.212 3.087 20 30 CGEDMN CCCc1nc(C)c(CN[C@@H](C)CC(C)(C)C#N)o1 ZINC000926475841 638774774 /nfs/dbraw/zinc/77/47/74/638774774.db2.gz GMMPGDLMRNYANN-NSHDSACASA-N 0 1 263.385 3.354 20 30 CGEDMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cncc(C#N)c1 ZINC000929097394 638898110 /nfs/dbraw/zinc/89/81/10/638898110.db2.gz QWIHSTVALXWGEE-LBPRGKRZSA-N 0 1 269.323 3.285 20 30 CGEDMN N#Cc1cncc(CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000929636546 638936559 /nfs/dbraw/zinc/93/65/59/638936559.db2.gz UYXPBEUBDCODKP-UHFFFAOYSA-N 0 1 293.370 3.071 20 30 CGEDMN C=C[C@@H](CC)CC(=O)NC[C@H](c1ccsc1)N(C)C ZINC000930000745 638967737 /nfs/dbraw/zinc/96/77/37/638967737.db2.gz VLWJWBWQBUOGID-GXTWGEPZSA-N 0 1 280.437 3.069 20 30 CGEDMN C[C@H]1C(=O)Nc2ccccc2CN1CC1CCC(C#N)CC1 ZINC000930992176 639095284 /nfs/dbraw/zinc/09/52/84/639095284.db2.gz XROBYTZPVUKCEG-NFOMZHRRSA-N 0 1 297.402 3.159 20 30 CGEDMN C=CC[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000859444571 639142033 /nfs/dbraw/zinc/14/20/33/639142033.db2.gz TZYGFEHQLRPIEO-NSHDSACASA-N 0 1 264.300 3.132 20 30 CGEDMN C[C@@H](C#N)OCCNC(C)(C)c1nc2ccccc2s1 ZINC000859468352 639146988 /nfs/dbraw/zinc/14/69/88/639146988.db2.gz OUZPLPWAIQRGHP-NSHDSACASA-N 0 1 289.404 3.050 20 30 CGEDMN CCC[C@@H](OCC)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000860555542 639370149 /nfs/dbraw/zinc/37/01/49/639370149.db2.gz JFRFTQIAHURNJL-GXTWGEPZSA-N 0 1 299.374 3.253 20 30 CGEDMN N#C[C@@H](C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccncn1 ZINC000860656850 639396316 /nfs/dbraw/zinc/39/63/16/639396316.db2.gz QEPAHRCJDWYQRN-BZUAXINKSA-N 0 1 291.354 3.237 20 30 CGEDMN CCC[C@@H](OCC)C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000860702707 639406035 /nfs/dbraw/zinc/40/60/35/639406035.db2.gz GCNPFMFXNONKPP-MLGOLLRUSA-N 0 1 297.358 3.011 20 30 CGEDMN COc1ccc([C@@H](C)NCc2cncc(C#N)c2)cc1C ZINC000933484186 639453032 /nfs/dbraw/zinc/45/30/32/639453032.db2.gz CZIRVRYLMMPQAK-CYBMUJFWSA-N 0 1 281.359 3.121 20 30 CGEDMN N#Cc1ccc([C@@H]2CN(CCc3ccccc3)CCO2)cc1 ZINC000933625721 639471051 /nfs/dbraw/zinc/47/10/51/639471051.db2.gz ROHGODULDFZZSU-IBGZPJMESA-N 0 1 292.382 3.174 20 30 CGEDMN C=C(Br)CN[C@H](c1ccncc1)C1CC1 ZINC000934689431 639658008 /nfs/dbraw/zinc/65/80/08/639658008.db2.gz VULFFFAASPSBRJ-LBPRGKRZSA-N 0 1 267.170 3.031 20 30 CGEDMN N#Cc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1 ZINC000043480188 639928622 /nfs/dbraw/zinc/92/86/22/639928622.db2.gz KCAQFVOATJAWKA-UHFFFAOYSA-N 0 1 272.735 3.207 20 30 CGEDMN CCCCCC[C@@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000076839048 640218396 /nfs/dbraw/zinc/21/83/96/640218396.db2.gz NNVZTOGTYSRZFA-HIFRSBDPSA-N 0 1 292.423 3.361 20 30 CGEDMN C=CCN(Cc1cccs1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191878672 640336421 /nfs/dbraw/zinc/33/64/21/640336421.db2.gz QNDJZIDKBDNNBM-ZDUSSCGKSA-N 0 1 291.416 3.222 20 30 CGEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009659087 640961349 /nfs/dbraw/zinc/96/13/49/640961349.db2.gz KMWZSZDJUSTBJX-CVEARBPZSA-N 0 1 292.467 3.360 20 30 CGEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1 ZINC001018233952 641020546 /nfs/dbraw/zinc/02/05/46/641020546.db2.gz MKKOOFFBZBUNBP-HDICACEKSA-N 0 1 298.430 3.168 20 30 CGEDMN C=C(Cl)CN[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001019569956 641034971 /nfs/dbraw/zinc/03/49/71/641034971.db2.gz FLTBRWYDDRAXEL-ZDUSSCGKSA-N 0 1 286.847 3.146 20 30 CGEDMN N#Cc1cccc(F)c1Nc1ccc2cncn2c1 ZINC001250328298 805573330 /nfs/dbraw/zinc/57/33/30/805573330.db2.gz PXMAYDIZXNTDHR-UHFFFAOYSA-N 0 1 252.252 3.089 20 30 CGEDMN COCc1cc(N=C(C)CC(C)=O)nc(-c2ccccc2)n1 ZINC001155886746 805621020 /nfs/dbraw/zinc/62/10/20/805621020.db2.gz CJZXSAYFSFMGPQ-XFXZXTDPSA-N 0 1 297.358 3.195 20 30 CGEDMN CCc1cc2c(ncnc2NC(C)=CC(C)=O)s1 ZINC001155890519 805621584 /nfs/dbraw/zinc/62/15/84/805621584.db2.gz VMYTWQTWUKHDQS-YVMONPNESA-N 0 1 261.350 3.158 20 30 CGEDMN COc1ccc2ccnc(NC(C)=CC(C)=O)c2c1 ZINC001155890899 805621819 /nfs/dbraw/zinc/62/18/19/805621819.db2.gz GMNYGYOCKJICQU-NTMALXAHSA-N 0 1 256.305 3.148 20 30 CGEDMN COc1ccccc1-c1ccnc(NC(C)=CC(C)=O)n1 ZINC001155891333 805622665 /nfs/dbraw/zinc/62/26/65/805622665.db2.gz XCXHWSHQBJWMII-KHPPLWFESA-N 0 1 283.331 3.057 20 30 CGEDMN C=CCn1cc(-c2nc3c(cc(F)cc3C)[nH]2)cn1 ZINC001250806272 805779418 /nfs/dbraw/zinc/77/94/18/805779418.db2.gz MAWUFIFLFPZDFK-UHFFFAOYSA-N 0 1 256.284 3.060 20 30 CGEDMN COc1cc(C#N)ccc1-c1nc2cccc(C)c2[nH]1 ZINC001251029144 805830800 /nfs/dbraw/zinc/83/08/00/805830800.db2.gz CMUHBOIHQFOYCQ-UHFFFAOYSA-N 0 1 263.300 3.419 20 30 CGEDMN COc1cc2nc(-c3cc(C#N)ccc3O)[nH]c2cc1C ZINC001251180258 805859295 /nfs/dbraw/zinc/85/92/95/805859295.db2.gz LGDFNGJAPFZIRB-UHFFFAOYSA-N 0 1 279.299 3.124 20 30 CGEDMN CCCCCCCC[C@@H](O)CNc1n[nH]c2cccnc21 ZINC001252121585 806007543 /nfs/dbraw/zinc/00/75/43/806007543.db2.gz IYKDQDPTIXRRBL-CYBMUJFWSA-N 0 1 290.411 3.481 20 30 CGEDMN CCCCCCCC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC001252122447 806008688 /nfs/dbraw/zinc/00/86/88/806008688.db2.gz VPODMDLANJJRJJ-OWCLPIDISA-N 0 1 271.445 3.207 20 30 CGEDMN CCCCCCCC[C@@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC001252130646 806014450 /nfs/dbraw/zinc/01/44/50/806014450.db2.gz VPODMDLANJJRJJ-HRCADAONSA-N 0 1 271.445 3.207 20 30 CGEDMN CC1(C)CC(=O)C=C(Nc2ccc(CN3CCCC3)cn2)C1 ZINC001158956477 806026140 /nfs/dbraw/zinc/02/61/40/806026140.db2.gz LQEKKNGLWREWLK-UHFFFAOYSA-N 0 1 299.418 3.362 20 30 CGEDMN CC(C)Oc1ccnc(NCC#Cc2ccccc2)c1 ZINC001159373353 806089982 /nfs/dbraw/zinc/08/99/82/806089982.db2.gz SBPPZJNPGYLXOM-UHFFFAOYSA-N 0 1 266.344 3.332 20 30 CGEDMN C=CCCCCCC[C@H](O)CN1CCc2cnccc2C1 ZINC001253227324 806184672 /nfs/dbraw/zinc/18/46/72/806184672.db2.gz GUOPZYBNGHDQRQ-SFHVURJKSA-N 0 1 288.435 3.327 20 30 CGEDMN C=C(C)C[N@H+](CCC)Cc1nc(=O)c2sccc2[n-]1 ZINC001253402980 806215731 /nfs/dbraw/zinc/21/57/31/806215731.db2.gz BSWLCBOBZYBGGT-UHFFFAOYSA-N 0 1 277.393 3.185 20 30 CGEDMN Cc1cc2ccccc2c(NCc2cncc(C#N)c2)n1 ZINC001160995097 806333944 /nfs/dbraw/zinc/33/39/44/806333944.db2.gz GQAIPJMDXWEKFN-UHFFFAOYSA-N 0 1 274.327 3.422 20 30 CGEDMN C=CCCCC(=O)NCCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001161056310 806344286 /nfs/dbraw/zinc/34/42/86/806344286.db2.gz BZCJKWGMFYMAGC-MRXNPFEDSA-N 0 1 296.430 3.229 20 30 CGEDMN C=CCCCC(=O)NCCC1=CCN(C[C@H](F)CC)CC1 ZINC001161056310 806344295 /nfs/dbraw/zinc/34/42/95/806344295.db2.gz BZCJKWGMFYMAGC-MRXNPFEDSA-N 0 1 296.430 3.229 20 30 CGEDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC1(C#N)CCCC1 ZINC001254531624 806444520 /nfs/dbraw/zinc/44/45/20/806444520.db2.gz GACNZZPQGCOTLP-ZDUSSCGKSA-N 0 1 287.363 3.199 20 30 CGEDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC(C)(C#N)CC1 ZINC001254558338 806450042 /nfs/dbraw/zinc/45/00/42/806450042.db2.gz FSNQKPZNLMZJHD-CYBMUJFWSA-N 0 1 287.363 3.151 20 30 CGEDMN N#C[C@@H]1CC[C@@H](NCc2cc(-c3ccccc3)no2)C1 ZINC001254636915 806466987 /nfs/dbraw/zinc/46/69/87/806466987.db2.gz OCYPXILHEMRTCY-TZMCWYRMSA-N 0 1 267.332 3.123 20 30 CGEDMN N#C[C@H]1CC[C@@H](NCc2cc(-c3ccccc3)no2)C1 ZINC001254636889 806467390 /nfs/dbraw/zinc/46/73/90/806467390.db2.gz OCYPXILHEMRTCY-GXTWGEPZSA-N 0 1 267.332 3.123 20 30 CGEDMN CC[C@H](CC#N)NC1(CNC(=O)OC(C)(C)C)CCCC1 ZINC001255155819 806557077 /nfs/dbraw/zinc/55/70/77/806557077.db2.gz BIGKOGFETNIZSS-CYBMUJFWSA-N 0 1 295.427 3.106 20 30 CGEDMN C[C@@H](CC(F)(F)F)N(C)Cc1cccc(C#N)c1 ZINC001255659677 806696756 /nfs/dbraw/zinc/69/67/56/806696756.db2.gz BOLOJOJRSDJXDJ-JTQLQIEISA-N 0 1 256.271 3.331 20 30 CGEDMN CO[C@H](C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000125747010 799002481 /nfs/dbraw/zinc/00/24/81/799002481.db2.gz CKWFOLRECZITCZ-APPZFPTMSA-N 0 1 294.763 3.161 20 30 CGEDMN C=C(Br)CN[C@H](C)c1ccc2c(c1)CCO2 ZINC000133314432 799034862 /nfs/dbraw/zinc/03/48/62/799034862.db2.gz OBVDQVYKAJMMCS-SNVBAGLBSA-N 0 1 282.181 3.181 20 30 CGEDMN Cc1noc(C)c1CN(C)CCCOc1cccc(C#N)c1 ZINC000155538904 799063644 /nfs/dbraw/zinc/06/36/44/799063644.db2.gz HCXGQKHWOIQGAC-UHFFFAOYSA-N 0 1 299.374 3.064 20 30 CGEDMN C=C(Br)CNC/C=C\c1ccc(F)cc1F ZINC000309572403 799219253 /nfs/dbraw/zinc/21/92/53/799219253.db2.gz NJXMAPIQQTWEMD-IHWYPQMZSA-N 0 1 288.135 3.476 20 30 CGEDMN C[C@@H](Cc1ccc(Br)c(F)c1)NCCC#N ZINC000336758745 799271374 /nfs/dbraw/zinc/27/13/74/799271374.db2.gz ZRLKJNIZIUBQMX-VIFPVBQESA-N 0 1 285.160 3.022 20 30 CGEDMN C=C[C@@H](C)N[C@H](C)c1cc(Br)ncc1F ZINC000380063695 799357693 /nfs/dbraw/zinc/35/76/93/799357693.db2.gz BMOALHLIAPYTET-HTQZYQBOSA-N 0 1 273.149 3.208 20 30 CGEDMN CCCCCCCC[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000693501286 799810501 /nfs/dbraw/zinc/81/05/01/799810501.db2.gz CRMYKAVXLNERON-KBPBESRZSA-N 0 1 255.402 3.390 20 30 CGEDMN CC(=O)CC(C)=Nc1cc(-c2ccccc2)cnn1 ZINC001163732986 806811079 /nfs/dbraw/zinc/81/10/79/806811079.db2.gz CSVWNJPEKCVFDM-FLIBITNWSA-N 0 1 253.305 3.048 20 30 CGEDMN C[C@H](COCc1ccccc1)CN(C)[C@@H](C)CC#N ZINC000719590184 800244393 /nfs/dbraw/zinc/24/43/93/800244393.db2.gz BHVHBBXZZPURKV-GJZGRUSLSA-N 0 1 260.381 3.073 20 30 CGEDMN CC[C@@H](CC(F)(F)F)NCC#Cc1ccccc1 ZINC000893598464 800574271 /nfs/dbraw/zinc/57/42/71/800574271.db2.gz UVFVUIHRPBIRDW-ZDUSSCGKSA-N 0 1 255.283 3.359 20 30 CGEDMN N#CC[C@@H]1CCCN(C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930923034 800652023 /nfs/dbraw/zinc/65/20/23/800652023.db2.gz FWQZVNYPPZQTAE-YNEHKIRRSA-N 0 1 290.329 3.112 20 30 CGEDMN C=CC[C@H](C)NC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000933041827 800671661 /nfs/dbraw/zinc/67/16/61/800671661.db2.gz RMKJTTDNWLEWDF-QMMMGPOBSA-N 0 1 279.290 3.195 20 30 CGEDMN CN(Cc1cc(C#N)cs1)C[C@@H]1CCC(C)(C)CO1 ZINC000933770829 800675695 /nfs/dbraw/zinc/67/56/95/800675695.db2.gz TWQZUIZFQKECAH-ZDUSSCGKSA-N 0 1 278.421 3.257 20 30 CGEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015273727 800699413 /nfs/dbraw/zinc/69/94/13/800699413.db2.gz CELXJJSJBCIWPP-HNNXBMFYSA-N 0 1 292.810 3.029 20 30 CGEDMN C=C(C)CN1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024332759 800725565 /nfs/dbraw/zinc/72/55/65/800725565.db2.gz GLJCWTVRANWFBD-LBPRGKRZSA-N 0 1 296.798 3.093 20 30 CGEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001024537244 800730567 /nfs/dbraw/zinc/73/05/67/800730567.db2.gz CPGKPJADBVCIQG-AWEZNQCLSA-N 0 1 292.448 3.135 20 30 CGEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025192401 800747483 /nfs/dbraw/zinc/74/74/83/800747483.db2.gz PTQDLUDHYDJZBD-CABCVRRESA-N 0 1 298.858 3.385 20 30 CGEDMN C=C(Cl)CN1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025205024 800750713 /nfs/dbraw/zinc/75/07/13/800750713.db2.gz RYXBGWYFELWCMB-CABCVRRESA-N 0 1 298.858 3.240 20 30 CGEDMN C=C1CCC(C(=O)NC[C@@H]2CCCN2C[C@@H](F)CC)CC1 ZINC001028116991 800831368 /nfs/dbraw/zinc/83/13/68/800831368.db2.gz LYRUNLCDALSHAM-HOTGVXAUSA-N 0 1 296.430 3.062 20 30 CGEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028242822 800838085 /nfs/dbraw/zinc/83/80/85/800838085.db2.gz IYISQFWMYBINJR-SFHVURJKSA-N 0 1 298.430 3.028 20 30 CGEDMN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033237772 800955254 /nfs/dbraw/zinc/95/52/54/800955254.db2.gz LSKGZNRZCRGYKM-ZDUSSCGKSA-N 0 1 292.448 3.033 20 30 CGEDMN C=CCN1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033294743 800957155 /nfs/dbraw/zinc/95/71/55/800957155.db2.gz DBPQHORFGSRVEY-MRXNPFEDSA-N 0 1 298.430 3.205 20 30 CGEDMN C=C(Cl)CN1CCC2(C1)CCN(C(=O)[C@H](C)CC)CC2 ZINC001035158963 801052677 /nfs/dbraw/zinc/05/26/77/801052677.db2.gz WLZLRMBJWMEFMS-CYBMUJFWSA-N 0 1 298.858 3.100 20 30 CGEDMN C=C(C)CCN1CC[C@H]1CNC(=O)c1sccc1Cl ZINC001038280866 801123021 /nfs/dbraw/zinc/12/30/21/801123021.db2.gz MFOCVXROXUKQOG-NSHDSACASA-N 0 1 298.839 3.172 20 30 CGEDMN C=C(C)CN1CC[C@@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001038694576 801132954 /nfs/dbraw/zinc/13/29/54/801132954.db2.gz UQJBERJGANXCNA-OAHLLOKOSA-N 0 1 298.430 3.118 20 30 CGEDMN C=CCCN1CC[C@H]1CNC(=O)c1sccc1C1CC1 ZINC001038985959 801140793 /nfs/dbraw/zinc/14/07/93/801140793.db2.gz ONKKDUOOWUQEIA-ZDUSSCGKSA-N 0 1 290.432 3.006 20 30 CGEDMN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC ZINC001039823924 801166966 /nfs/dbraw/zinc/16/69/66/801166966.db2.gz YHXHOXMYTTXEKL-GASCZTMLSA-N 0 1 278.440 3.064 20 30 CGEDMN C=C(C)CCN1CC(N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001044352133 801239568 /nfs/dbraw/zinc/23/95/68/801239568.db2.gz URZUCVRUBRETEI-MRXNPFEDSA-N 0 1 292.467 3.312 20 30 CGEDMN C=C(Cl)CN1CC[C@@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045910731 801291737 /nfs/dbraw/zinc/29/17/37/801291737.db2.gz ZDTBMHJVDNOUHH-MRXNPFEDSA-N 0 1 298.858 3.244 20 30 CGEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046590830 801315718 /nfs/dbraw/zinc/31/57/18/801315718.db2.gz RGFJZHBSEHWDJW-INIZCTEOSA-N 0 1 292.810 3.029 20 30 CGEDMN C#CCN1CC[C@@](C)(NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001046855288 801328224 /nfs/dbraw/zinc/32/82/24/801328224.db2.gz BOSJFPNWAPRBQQ-DNVCBOLYSA-N 0 1 298.430 3.028 20 30 CGEDMN C=C(Cl)CN1CCC[C@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052603332 801440906 /nfs/dbraw/zinc/44/09/06/801440906.db2.gz VJLVUAKYBLOOHY-AWEZNQCLSA-N 0 1 298.858 3.290 20 30 CGEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2=CCCCCC2)C[C@@H]1C ZINC001054605221 801490520 /nfs/dbraw/zinc/49/05/20/801490520.db2.gz KYRQCCFCLALKMW-WFASDCNBSA-N 0 1 296.842 3.066 20 30 CGEDMN C=C(C)CN1C[C@H](NC(=O)c2ccoc2Cl)CC[C@H]1C ZINC001071453830 801535590 /nfs/dbraw/zinc/53/55/90/801535590.db2.gz AIKVIGUCQARXBE-VXGBXAGGSA-N 0 1 296.798 3.092 20 30 CGEDMN C#CCN1C[C@@H](NC(=O)c2cccc(C(C)C)c2)CC[C@@H]1C ZINC001071963714 801559514 /nfs/dbraw/zinc/55/95/14/801559514.db2.gz HWQIBLWNNMXARS-YJBOKZPZSA-N 0 1 298.430 3.026 20 30 CGEDMN C=CCN1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@@H]1C ZINC001072103283 801565746 /nfs/dbraw/zinc/56/57/46/801565746.db2.gz WHHRSDFIKUBFPR-KBPBESRZSA-N 0 1 290.407 3.172 20 30 CGEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085509375 801692046 /nfs/dbraw/zinc/69/20/46/801692046.db2.gz WKADAYLTUNFLBV-MRXNPFEDSA-N 0 1 278.440 3.066 20 30 CGEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610054 801696281 /nfs/dbraw/zinc/69/62/81/801696281.db2.gz IDYPYOVLQZMOMA-INIZCTEOSA-N 0 1 298.386 3.155 20 30 CGEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085990550 801715651 /nfs/dbraw/zinc/71/56/51/801715651.db2.gz SGSNTTTVWKHDAC-CVEARBPZSA-N 0 1 292.467 3.312 20 30 CGEDMN C=CCN1CC[C@H](NC(=O)c2ccc3ccccc3c2)[C@H]1C ZINC001088998625 801816339 /nfs/dbraw/zinc/81/63/39/801816339.db2.gz GJDCXVLLLFZYMD-KDOFPFPSSA-N 0 1 294.398 3.218 20 30 CGEDMN C=CCN1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H]1C ZINC001089060025 801818152 /nfs/dbraw/zinc/81/81/52/801818152.db2.gz OKVOQTOWQURGQG-HIFRSBDPSA-N 0 1 298.386 3.120 20 30 CGEDMN C=CCN1CC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)[C@H]1C ZINC001089068247 801821411 /nfs/dbraw/zinc/82/14/11/801821411.db2.gz ULMJKZFOIRFNOQ-RYRKJORJSA-N 0 1 290.451 3.278 20 30 CGEDMN C=C(Cl)CN1CC[C@@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001089320100 801832910 /nfs/dbraw/zinc/83/29/10/801832910.db2.gz GSYQNCJMMIKVBX-CYBMUJFWSA-N 0 1 286.847 3.002 20 30 CGEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1C)C2 ZINC001096592829 801889726 /nfs/dbraw/zinc/88/97/26/801889726.db2.gz BKSWUGNZHALELC-LMSBXDPUSA-N 0 1 298.430 3.006 20 30 CGEDMN C=CCCC(=O)NC[C@@H]1CCC(C)(C)CN1C/C=C/Cl ZINC001098965787 801922802 /nfs/dbraw/zinc/92/28/02/801922802.db2.gz BJGWEWLUMWMJIH-XYYIANASSA-N 0 1 298.858 3.312 20 30 CGEDMN C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C2 ZINC001110131797 802131786 /nfs/dbraw/zinc/13/17/86/802131786.db2.gz FCGDYGGILQLVOU-ILXRZTDVSA-N 0 1 292.467 3.356 20 30 CGEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCCC)C2 ZINC001110313167 802137031 /nfs/dbraw/zinc/13/70/31/802137031.db2.gz BPNZKKUZCCFZKP-FPCVCCKLSA-N 0 1 278.440 3.110 20 30 CGEDMN C=CCC[C@@H](C)N1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC001112610937 802180794 /nfs/dbraw/zinc/18/07/94/802180794.db2.gz ACCUEOIWMIJVHR-GFCCVEGCSA-N 0 1 296.798 3.046 20 30 CGEDMN C=CCCCN1CCN(C(=O)[C@@H](CC)CCCC)CC1 ZINC001112632665 802183113 /nfs/dbraw/zinc/18/31/13/802183113.db2.gz MFYVHHZNVZYKQQ-INIZCTEOSA-N 0 1 280.456 3.313 20 30 CGEDMN C=CCCCCCN1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001112806879 802189936 /nfs/dbraw/zinc/18/99/36/802189936.db2.gz WDXKVGNMHLCLKR-INIZCTEOSA-N 0 1 280.456 3.313 20 30 CGEDMN C=CCC[C@H](C)N1CCN(C(=O)C2(CCCC)CC2)CC1 ZINC001113308560 802214023 /nfs/dbraw/zinc/21/40/23/802214023.db2.gz HOFAVAWDMSQPQK-INIZCTEOSA-N 0 1 292.467 3.456 20 30 CGEDMN C=CCCN1CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001113424647 802221453 /nfs/dbraw/zinc/22/14/53/802221453.db2.gz IPEHYFCRKPVXJM-CABCVRRESA-N 0 1 280.456 3.025 20 30 CGEDMN C=CCCCN1CCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001113563727 802228699 /nfs/dbraw/zinc/22/86/99/802228699.db2.gz RGNDWHWSNTXKSV-MRXNPFEDSA-N 0 1 280.456 3.169 20 30 CGEDMN C=CCO[C@H]1CC[N@H+](Cc2ccc(OCC(C)C)cc2)C1 ZINC001116576094 802380189 /nfs/dbraw/zinc/38/01/89/802380189.db2.gz PLNIQBJPKPIWDT-SFHVURJKSA-N 0 1 289.419 3.498 20 30 CGEDMN C=C1CC(C)(C(=O)N(C)Cc2cc(C(C)(C)C)[nH]n2)C1 ZINC001118967967 802621860 /nfs/dbraw/zinc/62/18/60/802621860.db2.gz GDEXZLPOFGMNFK-UHFFFAOYSA-N 0 1 275.396 3.022 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/nfs/dbraw/zinc/94/41/81/640944181.db2.gz TVXGUPLIEWZSJR-IAGOWNOFSA-N 0 1 290.451 3.280 20 30 CGEDMN C=CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001008399718 640950264 /nfs/dbraw/zinc/95/02/64/640950264.db2.gz NCFYDOQAWPCKTR-CQSZACIVSA-N 0 1 292.810 3.029 20 30 CGEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009310557 640957734 /nfs/dbraw/zinc/95/77/34/640957734.db2.gz XZSGVGNHQRETGD-HNNXBMFYSA-N 0 1 292.810 3.110 20 30 CGEDMN C=C(C)CN1CCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009693791 640961298 /nfs/dbraw/zinc/96/12/98/640961298.db2.gz XAHUWBHPDCLBOH-PQUAAJSLSA-N 0 1 292.467 3.360 20 30 CGEDMN C=CCN1CC[C@H](NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001015307189 640978913 /nfs/dbraw/zinc/97/89/13/640978913.db2.gz OFAIVEKOAYLNLZ-SFHVURJKSA-N 0 1 298.430 3.334 20 30 CGEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015870387 640987043 /nfs/dbraw/zinc/98/70/43/640987043.db2.gz FSSWRPJUJANEPU-CYBMUJFWSA-N 0 1 292.810 3.029 20 30 CGEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001019439501 641032723 /nfs/dbraw/zinc/03/27/23/641032723.db2.gz NUSNEDHDYCAAAU-HNNXBMFYSA-N 0 1 298.858 3.290 20 30 CGEDMN CCCCCCCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000119820839 641043504 /nfs/dbraw/zinc/04/35/04/641043504.db2.gz QFLBAYJKDUNGMC-AWEZNQCLSA-N 0 1 278.396 3.115 20 30 CGEDMN N#Cc1cc(F)ccc1Nc1ccc2cncn2c1 ZINC001250331370 805577115 /nfs/dbraw/zinc/57/71/15/805577115.db2.gz OVEMVVBKNIDEJK-UHFFFAOYSA-N 0 1 252.252 3.089 20 30 CGEDMN N#Cc1c(F)ccc(Nc2ccc3cncn3c2)c1F ZINC001250331067 805577600 /nfs/dbraw/zinc/57/76/00/805577600.db2.gz HIPDFICNBCMGNZ-UHFFFAOYSA-N 0 1 270.242 3.228 20 30 CGEDMN CCOc1ccc(-c2ccc(N=C(C)CC(C)=O)nn2)cc1 ZINC001155892334 805622228 /nfs/dbraw/zinc/62/22/28/805622228.db2.gz MEEHYTFZXZWWKD-QXMHVHEDSA-N 0 1 297.358 3.447 20 30 CGEDMN C=CC[C@@H]1N(C(=O)CCN2CC[C@@H](F)C2)CCCC1(C)C ZINC001156190831 805663965 /nfs/dbraw/zinc/66/39/65/805663965.db2.gz NHZSIMNVCFCULS-CABCVRRESA-N 0 1 296.430 3.014 20 30 CGEDMN C=CCN(C)Cc1cccc(OC)c1OCC1CC1 ZINC001250530330 805678569 /nfs/dbraw/zinc/67/85/69/805678569.db2.gz JVMGQDPNBIMTCN-UHFFFAOYSA-N 0 1 261.365 3.102 20 30 CGEDMN Cc1cc2nc(Cc3ccc(C#N)cc3)[nH]c2cc1F ZINC001250587508 805709506 /nfs/dbraw/zinc/70/95/06/805709506.db2.gz GKXLMESGTGMFAT-UHFFFAOYSA-N 0 1 265.291 3.473 20 30 CGEDMN COCOc1ccc2nc(Cc3ccc(C#N)cc3)[nH]c2c1 ZINC001250587122 805709605 /nfs/dbraw/zinc/70/96/05/805709605.db2.gz AFHDQIWKMPTKPS-UHFFFAOYSA-N 0 1 293.326 3.008 20 30 CGEDMN Cc1cc2nc(-c3cc(C#N)ccn3)[nH]c2cc1Cl ZINC001251121683 805849770 /nfs/dbraw/zinc/84/97/70/805849770.db2.gz AVBOXJCTTSLGCS-UHFFFAOYSA-N 0 1 268.707 3.458 20 30 CGEDMN N#Cc1ccnc(-c2nc3ccc(N4CCCC4)cc3[nH]2)c1 ZINC001251122268 805852141 /nfs/dbraw/zinc/85/21/41/805852141.db2.gz QMNKSCJRPXPBEY-UHFFFAOYSA-N 0 1 289.342 3.097 20 30 CGEDMN N#Cc1ccc(O)c(-c2nc3c(cccc3Cl)[nH]2)c1 ZINC001251180495 805860141 /nfs/dbraw/zinc/86/01/41/805860141.db2.gz YYEODVYNRRIFAJ-UHFFFAOYSA-N 0 1 269.691 3.461 20 30 CGEDMN N#Cc1ccc(F)cc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001251226214 805865926 /nfs/dbraw/zinc/86/59/26/805865926.db2.gz OPZZQYADQYTAQQ-UHFFFAOYSA-N 0 1 279.274 3.176 20 30 CGEDMN COc1cc2nc(-c3cc(F)ccc3C#N)[nH]c2cc1F ZINC001251226063 805866045 /nfs/dbraw/zinc/86/60/45/805866045.db2.gz GCGKQERWOHOHQJ-UHFFFAOYSA-N 0 1 285.253 3.388 20 30 CGEDMN Cc1cc2nc(-c3[nH]ccc3C#N)[nH]c2cc1Cl ZINC001251252169 805872696 /nfs/dbraw/zinc/87/26/96/805872696.db2.gz QIVSQNSRIOZLGY-UHFFFAOYSA-N 0 1 256.696 3.392 20 30 CGEDMN N#Cc1cc[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001251252339 805873091 /nfs/dbraw/zinc/87/30/91/805873091.db2.gz UCLMPZMZOZNQNX-UHFFFAOYSA-N 0 1 276.221 3.448 20 30 CGEDMN Cc1ccc2nc(-c3ccc(C#N)cc3O)[nH]c2c1C ZINC001251331947 805883968 /nfs/dbraw/zinc/88/39/68/805883968.db2.gz CDEBLRTWSJHIBU-UHFFFAOYSA-N 0 1 263.300 3.424 20 30 CGEDMN CCCCCCCC[C@@H](O)CN1CCOC(C)(C)C1 ZINC001252121231 806007031 /nfs/dbraw/zinc/00/70/31/806007031.db2.gz DYOFBWDOYJFQGX-OAHLLOKOSA-N 0 1 271.445 3.209 20 30 CGEDMN CCCCCCCC[C@@H](O)CNCc1cc(C)no1 ZINC001252135664 806022383 /nfs/dbraw/zinc/02/23/83/806022383.db2.gz HIHAVFWKZQWGAV-CQSZACIVSA-N 0 1 268.401 3.184 20 30 CGEDMN C=C[C@](C)(O)CN1CCC[C@@H]1c1c(F)cccc1F ZINC001252557733 806063165 /nfs/dbraw/zinc/06/31/65/806063165.db2.gz KHHJBWLTQZMDKW-HIFRSBDPSA-N 0 1 267.319 3.039 20 30 CGEDMN C=CCC[C@@H](O)CNCc1c(F)ccc(Cl)c1F ZINC001252611949 806088262 /nfs/dbraw/zinc/08/82/62/806088262.db2.gz HCRRPRKDYZOHFI-SECBINFHSA-N 0 1 275.726 3.035 20 30 CGEDMN C=CCC[C@H](O)CN[C@@H](c1ncccc1Cl)C1CC1 ZINC001252624064 806094283 /nfs/dbraw/zinc/09/42/83/806094283.db2.gz WMTJURPXXJSUBM-GXTWGEPZSA-N 0 1 280.799 3.103 20 30 CGEDMN CCCCCCCCCC[C@@H](O)CNCc1cn(C)cn1 ZINC001252979943 806145212 /nfs/dbraw/zinc/14/52/12/806145212.db2.gz ILMMLHSHAVAFDG-QGZVFWFLSA-N 0 1 295.471 3.401 20 30 CGEDMN C=CCCCCCC[C@H](O)CN1CCCC[C@@H]1C(C)=O ZINC001253238048 806188578 /nfs/dbraw/zinc/18/85/78/806188578.db2.gz AVBCNFDNPWTWFQ-DLBZAZTESA-N 0 1 281.440 3.317 20 30 CGEDMN C=C(C)CN(CC)C(=O)[C@@H](N)Cc1cccc2ccccc21 ZINC001160689800 806295902 /nfs/dbraw/zinc/29/59/02/806295902.db2.gz SCMLZJRWQVNTFB-SFHVURJKSA-N 0 1 296.414 3.134 20 30 CGEDMN C=CCN1CCC[C@H]1CNc1nc2[nH]ccc2cc1Cl ZINC001160953446 806328631 /nfs/dbraw/zinc/32/86/31/806328631.db2.gz BAASYFJRLCMLPA-LBPRGKRZSA-N 0 1 290.798 3.230 20 30 CGEDMN C=CCCC(C)(C)CNC(=O)N1CCN([C@H](C)CC)CC1 ZINC001254020056 806330445 /nfs/dbraw/zinc/33/04/45/806330445.db2.gz ASSPGBATCHKHRN-OAHLLOKOSA-N 0 1 295.471 3.105 20 30 CGEDMN C=C(C)[C@H](CO)N[C@@H](C)c1ccc(F)cc1OC(F)F ZINC001254159498 806355623 /nfs/dbraw/zinc/35/56/23/806355623.db2.gz IMJKSYRXHHBHKF-CABZTGNLSA-N 0 1 289.297 3.015 20 30 CGEDMN N#C[C@@H]1CCCN(C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254630196 806464635 /nfs/dbraw/zinc/46/46/35/806464635.db2.gz OOVYEIQVHNUAOU-AWEZNQCLSA-N 0 1 287.382 3.030 20 30 CGEDMN N#C[C@H]1CC[C@H](NCc2cccc(Cl)c2F)C1 ZINC001254636515 806466833 /nfs/dbraw/zinc/46/68/33/806466833.db2.gz LIRZQXBYDMRGJW-ONGXEEELSA-N 0 1 252.720 3.261 20 30 CGEDMN N#C[C@H]1CC[C@H](NCc2cc(-c3ccccc3)no2)C1 ZINC001254636911 806466864 /nfs/dbraw/zinc/46/68/64/806466864.db2.gz OCYPXILHEMRTCY-JSGCOSHPSA-N 0 1 267.332 3.123 20 30 CGEDMN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC001255154312 806555775 /nfs/dbraw/zinc/55/57/75/806555775.db2.gz GWWXDEQYBSALSO-IKGGRYGDSA-N 0 1 272.392 3.406 20 30 CGEDMN C#CC1(Nc2cc(Cl)nc3[nH]cnc32)CCCCC1 ZINC001162478414 806594177 /nfs/dbraw/zinc/59/41/77/806594177.db2.gz DEIDWAGRBFRVQP-UHFFFAOYSA-N 0 1 274.755 3.359 20 30 CGEDMN C=C[C@](C)(CCOC)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC001255467162 806646879 /nfs/dbraw/zinc/64/68/79/806646879.db2.gz PSDBOEWSCJKVNB-MRXNPFEDSA-N 0 1 287.363 3.039 20 30 CGEDMN N#CCOc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000037241792 798863713 /nfs/dbraw/zinc/86/37/13/798863713.db2.gz VFHPDOBECBAQDY-MRXNPFEDSA-N 0 1 282.343 3.349 20 30 CGEDMN C=C(Br)CN(C)[C@@H]1CC[C@H](SC)C1 ZINC000075920935 798923811 /nfs/dbraw/zinc/92/38/11/798923811.db2.gz ZINBDWYXSCTFHR-ZJUUUORDSA-N 0 1 264.232 3.111 20 30 CGEDMN N#Cc1ccc(O)c(NC(=O)c2ccc3ncccc3c2)c1 ZINC000176409145 799096840 /nfs/dbraw/zinc/09/68/40/799096840.db2.gz MFPISAAOIFHYIQ-UHFFFAOYSA-N 0 1 289.294 3.064 20 30 CGEDMN O=C1c2ccc(O)cc2C/C1=C/c1cc(F)c(O)c(F)c1 ZINC000588535151 799706785 /nfs/dbraw/zinc/70/67/85/799706785.db2.gz QEHXOWXWWKYWDQ-KMKOMSMNSA-N 0 1 288.249 3.198 20 30 CGEDMN C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000702236778 799905766 /nfs/dbraw/zinc/90/57/66/799905766.db2.gz STEDJHVOGXZBGV-CYBMUJFWSA-N 0 1 251.757 3.183 20 30 CGEDMN C#C[C@H](NCc1nc2ccccc2n1CC)C(C)(C)C ZINC000702305555 799908575 /nfs/dbraw/zinc/90/85/75/799908575.db2.gz IFFQGEBHKXMAEW-HNNXBMFYSA-N 0 1 269.392 3.194 20 30 CGEDMN CCCCCCCNCc1cnn(-c2ccccc2)n1 ZINC000705837986 799954050 /nfs/dbraw/zinc/95/40/50/799954050.db2.gz GEQDPWWWKGBBQG-UHFFFAOYSA-N 0 1 272.396 3.327 20 30 CGEDMN CC(C)(C#N)CCCN1CCS[C@H](C(F)(F)F)C1 ZINC000721440791 800288621 /nfs/dbraw/zinc/28/86/21/800288621.db2.gz PNBBVNGVUIRVPZ-JTQLQIEISA-N 0 1 280.359 3.296 20 30 CGEDMN C[C@@H](NCC1CCC(C#N)CC1)c1nc(C(C)(C)C)no1 ZINC000799598575 800395355 /nfs/dbraw/zinc/39/53/55/800395355.db2.gz WWGAQTHWDJBKOW-PNESKVBLSA-N 0 1 290.411 3.348 20 30 CGEDMN C[C@H](Nc1ccnc(C#N)c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000804449320 800398199 /nfs/dbraw/zinc/39/81/99/800398199.db2.gz YXFQDQNDAZRUFV-VIFPVBQESA-N 0 1 297.749 3.078 20 30 CGEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001024615475 800732154 /nfs/dbraw/zinc/73/21/54/800732154.db2.gz UGTZNDWNMOEIPB-CQSZACIVSA-N 0 1 290.407 3.173 20 30 CGEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1sccc1CC ZINC001024814596 800736973 /nfs/dbraw/zinc/73/69/73/800736973.db2.gz UFKZJPHXCPZCLK-CQSZACIVSA-N 0 1 292.448 3.081 20 30 CGEDMN C=CCN1CCCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001024809434 800737763 /nfs/dbraw/zinc/73/77/63/800737763.db2.gz SSRXYWVRXZAQHB-PQUAAJSLSA-N 0 1 290.451 3.114 20 30 CGEDMN C=C(Cl)CN1CCC[C@H]([C@H](C)NC(=O)C2=CCCC2)C1 ZINC001025376731 800759186 /nfs/dbraw/zinc/75/91/86/800759186.db2.gz ZZCVRTOHDRBTHG-ZFWWWQNUSA-N 0 1 296.842 3.066 20 30 CGEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001028339729 800841579 /nfs/dbraw/zinc/84/15/79/800841579.db2.gz BFOKNZXOXODBTP-ZDUSSCGKSA-N 0 1 292.448 3.252 20 30 CGEDMN C=CCN1CC[C@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033294742 800957462 /nfs/dbraw/zinc/95/74/62/800957462.db2.gz DBPQHORFGSRVEY-INIZCTEOSA-N 0 1 298.430 3.205 20 30 CGEDMN C=C(C)CN1CC[C@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734422 800978198 /nfs/dbraw/zinc/97/81/98/800978198.db2.gz PLECBDAJICZSJM-AWEZNQCLSA-N 0 1 292.448 3.169 20 30 CGEDMN C=C(C)CN1CC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001038880740 801134286 /nfs/dbraw/zinc/13/42/86/801134286.db2.gz JQLGHCSDYYWXBJ-KRWDZBQOSA-N 0 1 286.419 3.190 20 30 CGEDMN C=C(C)CN1CC[C@](C)(NC(=O)c2sccc2CC)C1 ZINC001046852088 801328955 /nfs/dbraw/zinc/32/89/55/801328955.db2.gz LHGGANVQRITUDK-INIZCTEOSA-N 0 1 292.448 3.081 20 30 CGEDMN C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CCN2C[C@@H](F)CC ZINC001049643048 801379502 /nfs/dbraw/zinc/37/95/02/801379502.db2.gz CDWYHVCIAWVWAG-ZNMIVQPWSA-N 0 1 296.430 3.012 20 30 CGEDMN 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/nfs/dbraw/zinc/82/07/72/635820772.db2.gz VHTXQYJQJQYQSC-UHFFFAOYSA-N 0 1 291.822 3.174 20 30 CGEDMN C#Cc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1 ZINC000024346957 636073393 /nfs/dbraw/zinc/07/33/93/636073393.db2.gz ILFQELGFXMYWTQ-UHFFFAOYSA-N 0 1 291.397 3.147 20 30 CGEDMN N#Cc1ccc(O)c(NC(=O)[C@H]2C[C@@H]2C2CCCC2)c1 ZINC000845886219 636114275 /nfs/dbraw/zinc/11/42/75/636114275.db2.gz DGTPUNLXIQGJOS-OLZOCXBDSA-N 0 1 270.332 3.029 20 30 CGEDMN C#C[C@H]1CCCN(C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000847021809 636313844 /nfs/dbraw/zinc/31/38/44/636313844.db2.gz PPTGEHYWDNNPTM-XHDPSFHLSA-N 0 1 298.213 3.372 20 30 CGEDMN C#C[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000847030909 636319060 /nfs/dbraw/zinc/31/90/60/636319060.db2.gz OTIKAXFKBSPENK-HNNXBMFYSA-N 0 1 295.382 3.255 20 30 CGEDMN CC[C@@H](NCc1ccc(F)cc1C#N)[C@@H]1CCCCO1 ZINC000847078135 636329896 /nfs/dbraw/zinc/32/98/96/636329896.db2.gz JKOIYDKNYPPDAD-CVEARBPZSA-N 0 1 276.355 3.135 20 30 CGEDMN C=CCC[C@H](NCc1csc(C)n1)[C@@H]1CCCO1 ZINC000883174890 636565849 /nfs/dbraw/zinc/56/58/49/636565849.db2.gz UWUXSTDFIZGJRZ-KBPBESRZSA-N 0 1 266.410 3.055 20 30 CGEDMN C=CC[C@@H](N[C@H](C)c1cncnc1C)c1ccncc1 ZINC000848531918 636592697 /nfs/dbraw/zinc/59/26/97/636592697.db2.gz XABQMBLDLORIGF-CZUORRHYSA-N 0 1 268.364 3.148 20 30 CGEDMN Cc1cc([C@H](C)NC2(c3ccc(C#N)cc3)CCC2)n(C)n1 ZINC000848567648 636610693 /nfs/dbraw/zinc/61/06/93/636610693.db2.gz YRWLDXGKRLZEEG-AWEZNQCLSA-N 0 1 294.402 3.330 20 30 CGEDMN C#C[C@H]1CCCN(Cc2c(F)cccc2N2CCCC2)C1 ZINC000848924182 636696254 /nfs/dbraw/zinc/69/62/54/636696254.db2.gz WYXSPRRNFQWUNY-HNNXBMFYSA-N 0 1 286.394 3.271 20 30 CGEDMN C#CC1(NCc2cnc([C@H]3CCCO3)s2)CCCC1 ZINC000883363070 636703336 /nfs/dbraw/zinc/70/33/36/636703336.db2.gz VEKBMYDVOQXFOQ-CYBMUJFWSA-N 0 1 276.405 3.030 20 30 CGEDMN C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000883391266 636735383 /nfs/dbraw/zinc/73/53/83/636735383.db2.gz HCOTXNPLFQLUDZ-JQWIXIFHSA-N 0 1 269.772 3.023 20 30 CGEDMN C=C(Cl)CNc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000849314103 636805408 /nfs/dbraw/zinc/80/54/08/636805408.db2.gz YTHWLYRHTQZEMP-KBPBESRZSA-N 0 1 294.826 3.460 20 30 CGEDMN C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2)C1 ZINC000849344400 636815269 /nfs/dbraw/zinc/81/52/69/636815269.db2.gz LADLTRDGYDWETJ-DOMZBBRYSA-N 0 1 291.778 3.201 20 30 CGEDMN C#CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000849344195 636815395 /nfs/dbraw/zinc/81/53/95/636815395.db2.gz DNDUISIAUIWLFP-LBPRGKRZSA-N 0 1 291.778 3.274 20 30 CGEDMN C#CC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C(=O)[O-])C1 ZINC000849345552 636815416 /nfs/dbraw/zinc/81/54/16/636815416.db2.gz XSEWNOGTGZLPIU-LBPRGKRZSA-N 0 1 291.778 3.274 20 30 CGEDMN C=C[C@H](CC(=O)O[C@@H](C)c1n[nH]c(CC)n1)c1ccccc1 ZINC000849749014 636863311 /nfs/dbraw/zinc/86/33/11/636863311.db2.gz NGLVCILBEBHUKB-QWHCGFSZSA-N 0 1 299.374 3.331 20 30 CGEDMN N#Cc1ccc(C(=O)/C=C/c2cc(F)c(O)c(F)c2)s1 ZINC000134497433 637024111 /nfs/dbraw/zinc/02/41/11/637024111.db2.gz XQHUMFJKICEQDS-HNQUOIGGSA-N 0 1 291.278 3.500 20 30 CGEDMN C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000134928809 637052378 /nfs/dbraw/zinc/05/23/78/637052378.db2.gz MRWAOYGVSNMCAA-BDAKNGLRSA-N 0 1 270.170 3.380 20 30 CGEDMN C=CC[C@H](N[C@H]1CCCn2nccc21)c1ccncc1 ZINC000850435456 637061136 /nfs/dbraw/zinc/06/11/36/637061136.db2.gz NZYKDYAJGOGPLN-GJZGRUSLSA-N 0 1 268.364 3.020 20 30 CGEDMN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1nccc2ccccc21 ZINC000850986522 637211484 /nfs/dbraw/zinc/21/14/84/637211484.db2.gz PDQYOYNINRLIAO-ORIJERBGSA-N 0 1 276.339 3.457 20 30 CGEDMN N#CC(C(=O)[C@H]1C[C@H]2C[C@H]2C1)c1cc(C(F)(F)F)ccn1 ZINC000851038431 637231540 /nfs/dbraw/zinc/23/15/40/637231540.db2.gz SDBQLTAVISLNCC-FYLLDIAZSA-N 0 1 294.276 3.323 20 30 CGEDMN C#C[C@@H]1CCCC[C@@H]1OC(=O)c1cc2[nH]cnc2cc1F ZINC000851538990 637436077 /nfs/dbraw/zinc/43/60/77/637436077.db2.gz ZJRFTHFQVHMCMB-BMIGLBTASA-N 0 1 286.306 3.051 20 30 CGEDMN C#CCOCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000851712832 637471221 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/nfs/dbraw/zinc/59/41/10/637594110.db2.gz WHHUQYTVPMFDJH-ABAIWWIYSA-N 0 1 278.783 3.059 20 30 CGEDMN C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000852099587 637594664 /nfs/dbraw/zinc/59/46/64/637594664.db2.gz NGKWPHUVBMEKPO-PBHICJAKSA-N 0 1 272.392 3.022 20 30 CGEDMN CC(C)(NCc1ccc(F)cn1)c1cccc(C#N)c1 ZINC000852353493 637640698 /nfs/dbraw/zinc/64/06/98/637640698.db2.gz JDVGCKCVBVASQD-UHFFFAOYSA-N 0 1 269.323 3.117 20 30 CGEDMN C=CC[C@@H]1CCCN(Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852410687 637649593 /nfs/dbraw/zinc/64/95/93/637649593.db2.gz PLFKCBFNAUMZBK-MRXNPFEDSA-N 0 1 296.418 3.115 20 30 CGEDMN Cc1ccc(N2CCN([C@@H]3CC[C@H](C#N)C3)CC2)c(C)c1 ZINC000852744640 637703105 /nfs/dbraw/zinc/70/31/05/637703105.db2.gz GSAWEYPSQQMNPI-DLBZAZTESA-N 0 1 283.419 3.118 20 30 CGEDMN CC(=NOCC1CCC1)c1cc(F)cc(F)c1O ZINC000853439248 637843004 /nfs/dbraw/zinc/84/30/04/637843004.db2.gz GBPAXCDEKURBOW-UHFFFAOYSA-N 0 1 255.264 3.211 20 30 CGEDMN CO[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC000930326321 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20 30 CGEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC(C)(C)C[C@@H]1C ZINC000412018651 235103871 /nfs/dbraw/zinc/10/38/71/235103871.db2.gz CAMFHAFWNDYLQX-QWHCGFSZSA-N 0 1 285.391 3.006 20 30 CGEDMN C[C@H]1CC(C)(C)CN1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000412033188 235108930 /nfs/dbraw/zinc/10/89/30/235108930.db2.gz CQBGIYLHVJJOMB-LBPRGKRZSA-N 0 1 296.374 3.229 20 30 CGEDMN C[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000271885168 191388900 /nfs/dbraw/zinc/38/89/00/191388900.db2.gz QMJZLSYTEUJDRN-XHDPSFHLSA-N 0 1 266.348 3.010 20 30 CGEDMN N#Cc1cccc(/C=C\c2nc(C3(N)CCCCC3)no2)c1 ZINC000424351162 236155787 /nfs/dbraw/zinc/15/57/87/236155787.db2.gz YFXWYROQSFSPSP-FPLPWBNLSA-N 0 1 294.358 3.230 20 30 CGEDMN N#Cc1cccc(SCc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000436472812 237112067 /nfs/dbraw/zinc/11/20/67/237112067.db2.gz BJUJBWJIKZPCBG-UHFFFAOYSA-N 0 1 286.312 3.464 20 30 CGEDMN N#Cc1cccc(NC2CCN(Cc3ccccn3)CC2)c1 ZINC000182943907 189340622 /nfs/dbraw/zinc/34/06/22/189340622.db2.gz UOLIPHQXGHMMTC-UHFFFAOYSA-N 0 1 292.386 3.030 20 30 CGEDMN C=C(C)C[C@@H](C)C(=O)NC[C@@H](c1cccs1)N(C)C ZINC000184904201 189398896 /nfs/dbraw/zinc/39/88/96/189398896.db2.gz RZJWUPVVBRJRTL-OLZOCXBDSA-N 0 1 280.437 3.069 20 30 CGEDMN C=CCCCN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120881953 370810590 /nfs/dbraw/zinc/81/05/90/370810590.db2.gz ZQOQFRGVQUSDPB-TZMCWYRMSA-N 0 1 251.395 3.476 20 30 CGEDMN CCC(=O)Nc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000538390788 288569378 /nfs/dbraw/zinc/56/93/78/288569378.db2.gz WRNMOXWPUMQLSB-UHFFFAOYSA-N 0 1 299.399 3.258 20 30 CGEDMN Cc1cncc(CNC2(c3cccc(C#N)c3)CC2)c1 ZINC000275964013 193174825 /nfs/dbraw/zinc/17/48/25/193174825.db2.gz BPTBMIFSUZCFDQ-UHFFFAOYSA-N 0 1 263.344 3.041 20 30 CGEDMN C=C[C@](C)(CC)C(=O)Nc1cc(C(C)=O)ccc1O ZINC000276036752 193196034 /nfs/dbraw/zinc/19/60/34/193196034.db2.gz VIXVIQRONOHXAX-OAHLLOKOSA-N 0 1 261.321 3.136 20 30 CGEDMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000219112005 376195532 /nfs/dbraw/zinc/19/55/32/376195532.db2.gz BKLBXTXPPLDOAL-DGCLKSJQSA-N 0 1 266.348 3.069 20 30 CGEDMN C=CCCN(C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000276464975 193342298 /nfs/dbraw/zinc/34/22/98/193342298.db2.gz QZLIEOYBOYRPBN-LBPRGKRZSA-N 0 1 280.799 3.483 20 30 CGEDMN C[C@@H]1C[C@H](C)CN(Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075616636 369916144 /nfs/dbraw/zinc/91/61/44/369916144.db2.gz SMLHPVVEGUOIMH-BETUJISGSA-N 0 1 296.374 3.086 20 30 CGEDMN C=CC[C@@H](C)NC(=O)[C@H](c1ccccc1)N(CC)CC ZINC000116853353 370570861 /nfs/dbraw/zinc/57/08/61/370570861.db2.gz XFPAGQBTNZQFEC-ZBFHGGJFSA-N 0 1 274.408 3.150 20 30 CGEDMN CCCOc1ccc2c(c1)CCN(CCCC#N)C2 ZINC000134524330 371345933 /nfs/dbraw/zinc/34/59/33/371345933.db2.gz AIVFQPGSEPZWBF-UHFFFAOYSA-N 0 1 258.365 3.137 20 30 CGEDMN C=CCCCCCCNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000286739432 371546808 /nfs/dbraw/zinc/54/68/08/371546808.db2.gz IIYPUWDHYSAPHG-HNNXBMFYSA-N 0 1 293.455 3.073 20 30 CGEDMN C=CCCCCCCNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000286739434 371547010 /nfs/dbraw/zinc/54/70/10/371547010.db2.gz IIYPUWDHYSAPHG-OAHLLOKOSA-N 0 1 293.455 3.073 20 30 CGEDMN C#C[C@H](NCc1cccc(OC)c1OC(F)F)C(C)C ZINC000289330886 371755595 /nfs/dbraw/zinc/75/55/95/371755595.db2.gz GTWKWQVVPVPBTH-LBPRGKRZSA-N 0 1 283.318 3.044 20 30 CGEDMN C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@@H](C)S1 ZINC000153876562 371795358 /nfs/dbraw/zinc/79/53/58/371795358.db2.gz RDTZCDJHBIDFFT-CHWSQXEVSA-N 0 1 263.381 3.003 20 30 CGEDMN C=CCN(C)Cc1cc(Br)cc2c1OCC2 ZINC000154787800 371879130 /nfs/dbraw/zinc/87/91/30/371879130.db2.gz VSAFIXFOCAADPV-UHFFFAOYSA-N 0 1 282.181 3.002 20 30 CGEDMN CN(CC#Cc1ccc(F)cc1)CCOCc1ccccc1 ZINC000156827586 371997634 /nfs/dbraw/zinc/99/76/34/371997634.db2.gz DMDRLFYWGOAZJD-UHFFFAOYSA-N 0 1 297.373 3.326 20 30 CGEDMN CC(C)CO[C@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000156930101 372000942 /nfs/dbraw/zinc/00/09/42/372000942.db2.gz AGBQTBGTXLOEDE-KRWDZBQOSA-N 0 1 291.822 3.438 20 30 CGEDMN C[C@H](c1cccs1)N(C)Cc1cnc2ccc(C#N)cn12 ZINC000157818908 372038517 /nfs/dbraw/zinc/03/85/17/372038517.db2.gz JSQCCNKNXSAFIF-GFCCVEGCSA-N 0 1 296.399 3.460 20 30 CGEDMN C=C(C)C(C)(C)C(=O)NCc1ccc(CN(C)C)c(F)c1 ZINC000424742593 372097888 /nfs/dbraw/zinc/09/78/88/372097888.db2.gz GSCLYPZJJBDFMX-UHFFFAOYSA-N 0 1 292.398 3.106 20 30 CGEDMN C=CCN(Cc1n[nH]c(C(C)C)n1)CC1CCCCC1 ZINC000428247296 372182588 /nfs/dbraw/zinc/18/25/88/372182588.db2.gz UCSCDCGKRTVVRR-UHFFFAOYSA-N 0 1 276.428 3.496 20 30 CGEDMN Cc1ccccc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000160520357 372254014 /nfs/dbraw/zinc/25/40/14/372254014.db2.gz WCOGIVLARQTTQH-UHFFFAOYSA-N 0 1 290.370 3.146 20 30 CGEDMN Cc1ccccc1CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000160520357 372254020 /nfs/dbraw/zinc/25/40/20/372254020.db2.gz WCOGIVLARQTTQH-UHFFFAOYSA-N 0 1 290.370 3.146 20 30 CGEDMN Cc1ccc2nc(NC(=O)c3cccc(C#N)c3C)[nH]c2c1 ZINC000344476360 217203832 /nfs/dbraw/zinc/20/38/32/217203832.db2.gz FDRYNDGYBBFVET-UHFFFAOYSA-N 0 1 290.326 3.304 20 30 CGEDMN C=CCCCCCN(C)Cc1cccc(S(C)(=O)=O)c1 ZINC000294742066 372670013 /nfs/dbraw/zinc/67/00/13/372670013.db2.gz HOSZQOHKCRSMRH-UHFFFAOYSA-N 0 1 295.448 3.268 20 30 CGEDMN Oc1c(Cl)cc(Cl)cc1/C=N/[C@@H]1CCCOC1 ZINC000171648089 372800342 /nfs/dbraw/zinc/80/03/42/372800342.db2.gz NAIIZGGWKULUDI-UWJMNNEMSA-N 0 1 274.147 3.297 20 30 CGEDMN C=CCCCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000436650262 372838331 /nfs/dbraw/zinc/83/83/31/372838331.db2.gz YJFUIVCYDXJSOE-UHFFFAOYSA-N 0 1 261.321 3.280 20 30 CGEDMN Cc1csc(C(C#N)C(=O)c2cccc3oc(C)nc32)n1 ZINC000439025553 372972551 /nfs/dbraw/zinc/97/25/51/372972551.db2.gz SLASAMBXYGKSOK-NSHDSACASA-N 0 1 297.339 3.391 20 30 CGEDMN COc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C#N ZINC000442805209 373092231 /nfs/dbraw/zinc/09/22/31/373092231.db2.gz ZKOZTSBFIHKNJR-UHFFFAOYSA-N 0 1 291.354 3.071 20 30 CGEDMN C=CCC[C@@H](NCc1n[nH]c(C2CC2)n1)c1ccco1 ZINC000296386470 373115982 /nfs/dbraw/zinc/11/59/82/373115982.db2.gz JWQYJMOFVTTXMB-GFCCVEGCSA-N 0 1 272.352 3.072 20 30 CGEDMN COc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1C#N ZINC000443019268 373144457 /nfs/dbraw/zinc/14/44/57/373144457.db2.gz AJBJUZIARPPJSR-UHFFFAOYSA-N 0 1 263.300 3.419 20 30 CGEDMN C=CCC[C@@H](NCc1ncc(C(F)(F)F)cn1)C1CC1 ZINC000296572731 373182294 /nfs/dbraw/zinc/18/22/94/373182294.db2.gz TUADZISRGYCGPE-GFCCVEGCSA-N 0 1 285.313 3.330 20 30 CGEDMN N#CCC1(CN[C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449297754 373676093 /nfs/dbraw/zinc/67/60/93/373676093.db2.gz DVDHLFYYHFVZLH-LLVKDONJSA-N 0 1 280.293 3.375 20 30 CGEDMN N#Cc1ccc(CN2CCSC[C@@H]2C2CC2)c(F)c1 ZINC000449528857 373825730 /nfs/dbraw/zinc/82/57/30/373825730.db2.gz SNOMFEHPGFLVLV-OAHLLOKOSA-N 0 1 276.380 3.025 20 30 CGEDMN Cc1cccc(CN(CCC#N)CC(C)(C)C)c1O ZINC000180059701 373961046 /nfs/dbraw/zinc/96/10/46/373961046.db2.gz YOBVQBXBTRPYLA-UHFFFAOYSA-N 0 1 260.381 3.462 20 30 CGEDMN C=CCC1(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CCCCC1 ZINC000450536743 374159143 /nfs/dbraw/zinc/15/91/43/374159143.db2.gz AZGMOCJXRDRCDU-CABCVRRESA-N 0 1 278.440 3.064 20 30 CGEDMN CN(CCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000181959463 374196133 /nfs/dbraw/zinc/19/61/33/374196133.db2.gz WLHIMZCRWDDMMK-UHFFFAOYSA-N 0 1 296.345 3.402 20 30 CGEDMN O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CSc2ccccc21 ZINC000328986116 374398432 /nfs/dbraw/zinc/39/84/32/374398432.db2.gz ZWJFLODSFAUKJB-ZYHUDNBSSA-N 0 1 299.399 3.113 20 30 CGEDMN CCN1CCC[C@@H](NC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328721795 374379110 /nfs/dbraw/zinc/37/91/10/374379110.db2.gz XCVVYCQGRNFCAI-CYBMUJFWSA-N 0 1 291.395 3.121 20 30 CGEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)c1scnc1C1CC1 ZINC000328851533 374387400 /nfs/dbraw/zinc/38/74/00/374387400.db2.gz VDVSCZJZJOKFHU-SNVBAGLBSA-N 0 1 288.376 3.126 20 30 CGEDMN N#Cc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1F ZINC000453379023 374465955 /nfs/dbraw/zinc/46/59/55/374465955.db2.gz JYBQSVJFDWJAJV-QGZVFWFLSA-N 0 1 299.324 3.472 20 30 CGEDMN N#CC1CCN(Cc2ccc(C(F)F)cc2)CC1 ZINC000183931519 374476593 /nfs/dbraw/zinc/47/65/93/374476593.db2.gz BSYLHSWLTSMHKE-UHFFFAOYSA-N 0 1 250.292 3.360 20 30 CGEDMN CCc1nnc(SCc2ccc(Cl)cc2C#N)[nH]1 ZINC000186538122 374871400 /nfs/dbraw/zinc/87/14/00/374871400.db2.gz OVZSLPLZYJUWOW-UHFFFAOYSA-N 0 1 278.768 3.184 20 30 CGEDMN CCc1n[nH]c(SCc2ccc(Cl)cc2C#N)n1 ZINC000186538122 374871403 /nfs/dbraw/zinc/87/14/03/374871403.db2.gz OVZSLPLZYJUWOW-UHFFFAOYSA-N 0 1 278.768 3.184 20 30 CGEDMN N#Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)s1 ZINC000335123401 375150747 /nfs/dbraw/zinc/15/07/47/375150747.db2.gz ZYAWMKZJMCQPQK-UHFFFAOYSA-N 0 1 296.710 3.370 20 30 CGEDMN C[C@]12CCN(Cc3cc(C#N)cs3)C[C@H]1C2(F)F ZINC000335230473 375246920 /nfs/dbraw/zinc/24/69/20/375246920.db2.gz LRFSFCWUQHGVCF-NEPJUHHUSA-N 0 1 268.332 3.097 20 30 CGEDMN C=CCN(CCOC)Cc1ccccc1OCC(C)C ZINC000484560383 375189350 /nfs/dbraw/zinc/18/93/50/375189350.db2.gz UJTPSUDQDDKBAH-UHFFFAOYSA-N 0 1 277.408 3.356 20 30 CGEDMN N#Cc1ccc(C(=O)Nc2ccc3ncccc3c2)cc1O ZINC000188315577 375195536 /nfs/dbraw/zinc/19/55/36/375195536.db2.gz CMQVVQCBSKOXNA-UHFFFAOYSA-N 0 1 289.294 3.064 20 30 CGEDMN CCOc1c(Cl)cccc1CNCCCC#N ZINC000487557338 375254348 /nfs/dbraw/zinc/25/43/48/375254348.db2.gz HXWNKWKGRRKZTP-UHFFFAOYSA-N 0 1 252.745 3.132 20 30 CGEDMN C=CCN(Cc1cccc(C#N)c1)C[C@@H]1CC[C@@H](C)O1 ZINC000190458367 375512436 /nfs/dbraw/zinc/51/24/36/375512436.db2.gz NJZPHZOKHQJASB-PBHICJAKSA-N 0 1 270.376 3.114 20 30 CGEDMN COc1ccc(CN2CCC(F)(F)[C@H](C)C2)cc1C#N ZINC000336009008 375613672 /nfs/dbraw/zinc/61/36/72/375613672.db2.gz OHXMIKLIGFGUIP-LLVKDONJSA-N 0 1 280.318 3.044 20 30 CGEDMN C[C@H]1C[C@@H](c2ccccc2)CN1Cc1nc(C#N)cs1 ZINC000336012523 375617774 /nfs/dbraw/zinc/61/77/74/375617774.db2.gz CDGNXLOLTVKSRI-GXTWGEPZSA-N 0 1 283.400 3.393 20 30 CGEDMN C=C[C@H](C)NCc1ccc(OC)c(OC)c1Cl ZINC000123197194 542026348 /nfs/dbraw/zinc/02/63/48/542026348.db2.gz WPVFHIVCHBETEH-VIFPVBQESA-N 0 1 255.745 3.021 20 30 CGEDMN CC(C)OC(=O)C[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000192189646 375707970 /nfs/dbraw/zinc/70/79/70/375707970.db2.gz WPKUHOOUFYIEJM-GOSISDBHSA-N 0 1 299.414 3.092 20 30 CGEDMN CCN(CCCc1ccc2c(c1)CCO2)C[C@@H](C)C#N ZINC000193240348 375846033 /nfs/dbraw/zinc/84/60/33/375846033.db2.gz PDMILGRLJHPZFE-AWEZNQCLSA-N 0 1 272.392 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3.018 20 30 CGEDMN C#CCC1(NCc2nnc(-c3ccco3)o2)CCCCC1 ZINC000933267823 639434311 /nfs/dbraw/zinc/43/43/11/639434311.db2.gz OQTDQCLJIOFTEM-UHFFFAOYSA-N 0 1 285.347 3.145 20 30 CGEDMN C=CC[C@@H]1CCN1C[C@H](O)c1cccc(Cl)c1 ZINC000934468779 639613622 /nfs/dbraw/zinc/61/36/22/639613622.db2.gz JFHJHXWRXVWKRR-KGLIPLIRSA-N 0 1 251.757 3.024 20 30 CGEDMN C=CCCC[N@H+](CC)Cc1nc(N)c2ccccc2n1 ZINC000934648922 639649696 /nfs/dbraw/zinc/64/96/96/639649696.db2.gz XEEBLQNTXUPNPB-UHFFFAOYSA-N 0 1 270.380 3.000 20 30 CGEDMN C=CCCCN(CC)Cc1nc(N)c2ccccc2n1 ZINC000934648922 639649708 /nfs/dbraw/zinc/64/97/08/639649708.db2.gz XEEBLQNTXUPNPB-UHFFFAOYSA-N 0 1 270.380 3.000 20 30 CGEDMN C[C@]12CSC[C@H]1CN(Cc1cc(Cl)cc(C#N)c1)C2 ZINC000934770331 639673620 /nfs/dbraw/zinc/67/36/20/639673620.db2.gz XVVFIIJWCROSIS-HIFRSBDPSA-N 0 1 292.835 3.397 20 30 CGEDMN C=CC1CCN(CN2CC[C@](C)(c3ccccc3)C2=O)CC1 ZINC000188668401 640148425 /nfs/dbraw/zinc/14/84/25/640148425.db2.gz GKJJOMPDPFNMFV-LJQANCHMSA-N 0 1 298.430 3.032 20 30 CGEDMN O=C(/C=C/c1cocn1)c1ccc2ccccc2c1O ZINC000191318780 640302671 /nfs/dbraw/zinc/30/26/71/640302671.db2.gz MWVICFZAKNDWLJ-SOFGYWHQSA-N 0 1 265.268 3.430 20 30 CGEDMN NC(CN1CCCCCC1)=NOCc1ccccc1Cl ZINC000078639588 640330122 /nfs/dbraw/zinc/33/01/22/640330122.db2.gz TVYNUTQDQXCAAD-UHFFFAOYSA-N 0 1 295.814 3.005 20 30 CGEDMN C#CCN(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000192230920 640359700 /nfs/dbraw/zinc/35/97/00/640359700.db2.gz TVRPFJUZQLTYEW-UHFFFAOYSA-N 0 1 283.371 3.290 20 30 CGEDMN C=CC[N@H+](CCC12CC3CC(CC(C3)C1)C2)CC(=O)[O-] ZINC000092466430 640737392 /nfs/dbraw/zinc/73/73/92/640737392.db2.gz MKKLIPXVCOQTDZ-UHFFFAOYSA-N 0 1 277.408 3.166 20 30 CGEDMN C=CCN1CCC[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001008412511 640950318 /nfs/dbraw/zinc/95/03/18/640950318.db2.gz PYIUECPDRKDRPN-CYBMUJFWSA-N 0 1 292.810 3.029 20 30 CGEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009687140 640961937 /nfs/dbraw/zinc/96/19/37/640961937.db2.gz YJPIIUYQAZHERN-AWEZNQCLSA-N 0 1 290.407 3.173 20 30 CGEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCC1 ZINC001017525491 641013845 /nfs/dbraw/zinc/01/38/45/641013845.db2.gz JWXOKAQIYYSUEK-IYBDPMFKSA-N 0 1 290.451 3.208 20 30 CGEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C1CCCC1 ZINC001017474250 641013955 /nfs/dbraw/zinc/01/39/55/641013955.db2.gz BIURSDCKMDIJRM-GASCZTMLSA-N 0 1 292.398 3.035 20 30 CGEDMN N#Cc1cc(F)c(Nc2ccc3cncn3c2)cc1F ZINC001250328203 805572404 /nfs/dbraw/zinc/57/24/04/805572404.db2.gz IQHCFHKRMFNXAJ-UHFFFAOYSA-N 0 1 270.242 3.228 20 30 CGEDMN C=CCN(CC=C)Cc1cc(O)c(Cl)c(F)c1F ZINC001250409097 805600437 /nfs/dbraw/zinc/60/04/37/805600437.db2.gz RCDYVWDVZOWSEP-UHFFFAOYSA-N 0 1 273.710 3.498 20 30 CGEDMN C#C[C@H]1CCCN(Cc2cc(O)c(Cl)c(F)c2F)C1 ZINC001250410138 805600450 /nfs/dbraw/zinc/60/04/50/805600450.db2.gz FEUYKPSUPZQPAK-VIFPVBQESA-N 0 1 285.721 3.169 20 30 CGEDMN CC(=O)C=C(C)Nc1nccc2cc(Cl)ncc21 ZINC001155890693 805621985 /nfs/dbraw/zinc/62/19/85/805621985.db2.gz YDAVOONSFTXSCV-YVMONPNESA-N 0 1 261.712 3.188 20 30 CGEDMN Cn1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1C#N ZINC001250532258 805680756 /nfs/dbraw/zinc/68/07/56/805680756.db2.gz VWBSYVSSXMFTEQ-UHFFFAOYSA-N 0 1 274.686 3.233 20 30 CGEDMN C=CCN(Cc1nc2c(cc(F)cc2C)[nH]1)C(=O)OCC ZINC001250591336 805711431 /nfs/dbraw/zinc/71/14/31/805711431.db2.gz JZIRLSDEYWDMTE-UHFFFAOYSA-N 0 1 291.326 3.155 20 30 CGEDMN C=CCC1(C(=O)NC[C@@H](C)N(CC)CCF)CCCCC1 ZINC001157058217 805772629 /nfs/dbraw/zinc/77/26/29/805772629.db2.gz QRLCLTAERFKTOQ-OAHLLOKOSA-N 0 1 298.446 3.309 20 30 CGEDMN C=CCn1cc(-c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC001250806676 805779562 /nfs/dbraw/zinc/77/95/62/805779562.db2.gz YQGGTWDBPWTLEG-UHFFFAOYSA-N 0 1 258.712 3.266 20 30 CGEDMN C#Cc1ccc(-c2nc3cc4c(cc3[nH]2)OCC4)cc1 ZINC001251007031 805825540 /nfs/dbraw/zinc/82/55/40/805825540.db2.gz ANYVPSVQJMTLOE-UHFFFAOYSA-N 0 1 260.296 3.146 20 30 CGEDMN C=CCN(c1nc(C)cc(N(C)CC)n1)C(C)(C)C ZINC001157583440 805839317 /nfs/dbraw/zinc/83/93/17/805839317.db2.gz VRILGGLHTUHAJT-UHFFFAOYSA-N 0 1 262.401 3.032 20 30 CGEDMN Cc1cc(F)cc2nc(-c3cc(C#N)ccc3O)[nH]c21 ZINC001251180178 805858983 /nfs/dbraw/zinc/85/89/83/805858983.db2.gz HKDLHKOOWJYSJG-UHFFFAOYSA-N 0 1 267.263 3.255 20 30 CGEDMN N#Cc1ccc(O)c(-c2nc3cc4c(cc3[nH]2)CCC4)c1 ZINC001251180325 805859141 /nfs/dbraw/zinc/85/91/41/805859141.db2.gz OYQNWEUDVKQXJF-UHFFFAOYSA-N 0 1 275.311 3.296 20 30 CGEDMN Cc1cc2nc(-c3ccc(C#N)cc3O)[nH]c2c(C)c1 ZINC001251332205 805884027 /nfs/dbraw/zinc/88/40/27/805884027.db2.gz MQFPDJUWWMAAOI-UHFFFAOYSA-N 0 1 263.300 3.424 20 30 CGEDMN N#Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cs1 ZINC001251714777 805924156 /nfs/dbraw/zinc/92/41/56/805924156.db2.gz FCOGEZXDCGKKNL-UHFFFAOYSA-N 0 1 298.776 3.074 20 30 CGEDMN Cc1cc(CNc2cccc(OCCCC#N)c2)n[nH]1 ZINC001251869829 805947010 /nfs/dbraw/zinc/94/70/10/805947010.db2.gz HXRCWPXVCPNOSF-UHFFFAOYSA-N 0 1 270.336 3.013 20 30 CGEDMN C=CCCCC(=O)N1CCCC[C@@H]1CN(C)C[C@H](F)CC ZINC001158419438 805953717 /nfs/dbraw/zinc/95/37/17/805953717.db2.gz PMRXTCXAHJIDTO-HZPDHXFCSA-N 0 1 298.446 3.404 20 30 CGEDMN CCCCCCCC[C@H](O)CNC1(c2cccnn2)CC1 ZINC001252134984 806021943 /nfs/dbraw/zinc/02/19/43/806021943.db2.gz VBCXEMNAYUHRHW-HNNXBMFYSA-N 0 1 291.439 3.167 20 30 CGEDMN CCCCCCCC[C@H](O)CNCc1ccn(CCF)n1 ZINC001252139749 806024989 /nfs/dbraw/zinc/02/49/89/806024989.db2.gz RIYVHBMVSBQJEF-INIZCTEOSA-N 0 1 299.434 3.054 20 30 CGEDMN C=CCC[C@H](O)CNCc1c(F)ccc(Cl)c1F ZINC001252611951 806088687 /nfs/dbraw/zinc/08/86/87/806088687.db2.gz HCRRPRKDYZOHFI-VIFPVBQESA-N 0 1 275.726 3.035 20 30 CGEDMN CCCCCCCCCC[C@@H](O)CNCc1cccnn1 ZINC001252988045 806148839 /nfs/dbraw/zinc/14/88/39/806148839.db2.gz ZYLSTNNONSRYHG-QGZVFWFLSA-N 0 1 293.455 3.458 20 30 CGEDMN C=CCCCCCC[C@@H](O)CN1CCc2cnccc2C1 ZINC001253227323 806184806 /nfs/dbraw/zinc/18/48/06/806184806.db2.gz GUOPZYBNGHDQRQ-GOSISDBHSA-N 0 1 288.435 3.327 20 30 CGEDMN C=CCCCCCC[C@@H](O)CN[C@H](CC)CC#N ZINC001253252271 806196614 /nfs/dbraw/zinc/19/66/14/806196614.db2.gz UCRHFNSJICIXEF-HUUCEWRRSA-N 0 1 252.402 3.156 20 30 CGEDMN C=C1CCC(F)=CC1=NC(F)(F)c1cncc(Cl)n1 ZINC001160715979 806298104 /nfs/dbraw/zinc/29/81/04/806298104.db2.gz BSMBNSGNHLXSNS-UHFFFAOYSA-N 0 1 287.672 3.466 20 30 CGEDMN N#CC1(c2ccc(F)cc2)CCC(NCc2ncco2)CC1 ZINC001254342020 806382006 /nfs/dbraw/zinc/38/20/06/806382006.db2.gz LDKQLLFQMUJPPS-UHFFFAOYSA-N 0 1 299.349 3.307 20 30 CGEDMN Cc1ccc(C#N)cc1NC(=O)c1ccc2cncn2c1C ZINC001254449280 806403604 /nfs/dbraw/zinc/40/36/04/806403604.db2.gz ZIUWXTSSXHNNQW-UHFFFAOYSA-N 0 1 290.326 3.075 20 30 CGEDMN CC[C@H](CC#N)NCc1cc2ccccc2cc1O ZINC001255158923 806558024 /nfs/dbraw/zinc/55/80/24/806558024.db2.gz OQFWAYOEMGTUHE-OAHLLOKOSA-N 0 1 254.333 3.327 20 30 CGEDMN C=C[C@H](COC)N[C@@H]1CCSc2ccc(OC)cc21 ZINC001255557862 806673319 /nfs/dbraw/zinc/67/33/19/806673319.db2.gz UBOLOWLCMJQTOJ-BXUZGUMPSA-N 0 1 279.405 3.023 20 30 CGEDMN CN(Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1N ZINC000093632090 798966366 /nfs/dbraw/zinc/96/63/66/798966366.db2.gz NQYSKZDIANVZRE-UHFFFAOYSA-N 0 1 285.778 3.426 20 30 CGEDMN N#CCOc1ccc(-c2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000123821328 798996370 /nfs/dbraw/zinc/99/63/70/798996370.db2.gz MOWWYRIUYXWURQ-UHFFFAOYSA-N 0 1 274.283 3.004 20 30 CGEDMN Cc1cccc(NC(=O)C(C#N)C(=O)CC2CCCC2)c1 ZINC000127659391 799015503 /nfs/dbraw/zinc/01/55/03/799015503.db2.gz IYTZBUWMRSCWDF-OAHLLOKOSA-N 0 1 284.359 3.223 20 30 CGEDMN N#Cc1cccc(CNCc2ccc(OCC3CC3)nc2)c1 ZINC000159948823 799075810 /nfs/dbraw/zinc/07/58/10/799075810.db2.gz KXTCSQNEMQHBQK-UHFFFAOYSA-N 0 1 293.370 3.032 20 30 CGEDMN CCc1ccc(C(=O)Nc2cc(C#N)ccc2O)s1 ZINC000176403354 799096931 /nfs/dbraw/zinc/09/69/31/799096931.db2.gz MIRIOMKSKAUDIG-UHFFFAOYSA-N 0 1 272.329 3.140 20 30 CGEDMN N#Cc1ccc(O)c(NC(=O)c2coc3ccccc32)c1 ZINC000176409757 799097038 /nfs/dbraw/zinc/09/70/38/799097038.db2.gz ZTEMFOBMBMUXLO-UHFFFAOYSA-N 0 1 278.267 3.262 20 30 CGEDMN C=C(Br)CN1CC[C@H]2CCCC[C@H]2C1 ZINC000307267744 799215485 /nfs/dbraw/zinc/21/54/85/799215485.db2.gz FEBDWUHQLYMBMT-NEPJUHHUSA-N 0 1 258.203 3.407 20 30 CGEDMN C[C@@H](CC(C)(C)C#N)NCc1ccccc1[N+](=O)[O-] ZINC000695835654 799834585 /nfs/dbraw/zinc/83/45/85/799834585.db2.gz IKNMOUHOKMKCLK-NSHDSACASA-N 0 1 261.325 3.013 20 30 CGEDMN Cc1cnc([C@H](C)N[C@H](C)CC(C)(C)C#N)s1 ZINC000695856799 799836192 /nfs/dbraw/zinc/83/61/92/799836192.db2.gz AQFNMUZTPVHVOS-KOLCDFICSA-N 0 1 251.399 3.431 20 30 CGEDMN Cc1cnc([C@H](C)N[C@@H](C)CC(C)(C)C#N)s1 ZINC000695856801 799836111 /nfs/dbraw/zinc/83/61/11/799836111.db2.gz AQFNMUZTPVHVOS-ONGXEEELSA-N 0 1 251.399 3.431 20 30 CGEDMN CC(=O)C=C(C)Nc1cc(Br)cc2cncn21 ZINC001163741815 806814821 /nfs/dbraw/zinc/81/48/21/806814821.db2.gz HULVQAAKLNRTOK-BAQGIRSFSA-N 0 1 294.152 3.002 20 30 CGEDMN C[C@@H](COCc1ccccc1)CN(C)[C@@H](C)CC#N ZINC000719590181 800244680 /nfs/dbraw/zinc/24/46/80/800244680.db2.gz BHVHBBXZZPURKV-CABCVRRESA-N 0 1 260.381 3.073 20 30 CGEDMN COc1ccc([C@H](C)NCc2cccc(C#N)n2)cc1C ZINC000896804434 800585081 /nfs/dbraw/zinc/58/50/81/800585081.db2.gz SMMVCBCYLRNNHY-ZDUSSCGKSA-N 0 1 281.359 3.121 20 30 CGEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001024825330 800738934 /nfs/dbraw/zinc/73/89/34/800738934.db2.gz FKYVIGHRTQMVIU-CQSZACIVSA-N 0 1 298.386 3.203 20 30 CGEDMN CC#CCN1CCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001027918242 800826425 /nfs/dbraw/zinc/82/64/25/800826425.db2.gz LBRMDANWESGNOA-MRXNPFEDSA-N 0 1 298.430 3.028 20 30 CGEDMN C=CCN1CCC[C@H]1CNC(=O)c1sccc1C(C)C ZINC001028332680 800841911 /nfs/dbraw/zinc/84/19/11/800841911.db2.gz BUUJPZAGUXIOTO-ZDUSSCGKSA-N 0 1 292.448 3.252 20 30 CGEDMN C=CCN1CC[C@H](N(CC)C(=O)c2sc(C)cc2C)C1 ZINC001033845906 800986008 /nfs/dbraw/zinc/98/60/08/800986008.db2.gz IRQDPGKDVLGIPD-AWEZNQCLSA-N 0 1 292.448 3.087 20 30 CGEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC001034028593 800994852 /nfs/dbraw/zinc/99/48/52/800994852.db2.gz HKFCOLNXQJZBBL-OAHLLOKOSA-N 0 1 292.810 3.062 20 30 CGEDMN C#CCN1CCCC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001034504956 801030145 /nfs/dbraw/zinc/03/01/45/801030145.db2.gz BIYKBOVCKSVEJT-SFHVURJKSA-N 0 1 298.430 3.028 20 30 CGEDMN 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419017413 /nfs/dbraw/zinc/01/74/13/419017413.db2.gz PZBKHIHKAFIFKF-CYBMUJFWSA-N 0 1 283.375 3.346 20 30 CGEDMN C=CCCn1cc(CN2CC[C@H](C)[C@H]3CCCC[C@@H]32)nn1 ZINC000653493477 419038087 /nfs/dbraw/zinc/03/80/87/419038087.db2.gz XRSLCAPIVKIWPC-UAGQMJEPSA-N 0 1 288.439 3.255 20 30 CGEDMN C=CCCn1cc(CN(C2CC2)C2CCC(C)CC2)nn1 ZINC000653498620 419038304 /nfs/dbraw/zinc/03/83/04/419038304.db2.gz DGMVGWLUMWAARP-UHFFFAOYSA-N 0 1 288.439 3.397 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1C(=O)[O-] ZINC000659802148 418994582 /nfs/dbraw/zinc/99/45/82/418994582.db2.gz QPFPEWYEDNOFHT-GASCZTMLSA-N 0 1 271.360 3.110 20 30 CGEDMN C=C(CN[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000655702329 419069801 /nfs/dbraw/zinc/06/98/01/419069801.db2.gz SXQKPPYVURLPFZ-OAHLLOKOSA-N 0 1 253.349 3.021 20 30 CGEDMN C=C(CNCc1nccn1C(C)C)c1ccccc1 ZINC000657334007 419252974 /nfs/dbraw/zinc/25/29/74/419252974.db2.gz IRJXRIRUOKOGCT-UHFFFAOYSA-N 0 1 255.365 3.267 20 30 CGEDMN C=CC[C@H]1CCCN(Cc2cc3n(n2)CCCC3)C1 ZINC000661386311 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C=C(Cl)CN[C@H](C)[C@H]1OCCc2sccc21 ZINC000298342847 260151279 /nfs/dbraw/zinc/15/12/79/260151279.db2.gz MATQTRYWPKHWMR-BXKDBHETSA-N 0 1 257.786 3.093 20 30 CGEDMN C=C(CC)CNCc1csc(-c2ccccn2)n1 ZINC000313490345 260298553 /nfs/dbraw/zinc/29/85/53/260298553.db2.gz VBBAABIRNJKPJE-UHFFFAOYSA-N 0 1 259.378 3.261 20 30 CGEDMN C=CCOc1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1Cl ZINC000448360695 261126084 /nfs/dbraw/zinc/12/60/84/261126084.db2.gz CRTOXFQEBYKQNG-OAHLLOKOSA-N 0 1 295.810 3.108 20 30 CGEDMN N#CCC1(CNCc2cscc2Br)CC1 ZINC000336748000 262029978 /nfs/dbraw/zinc/02/99/78/262029978.db2.gz CZNLEMBDSHREJM-UHFFFAOYSA-N 0 1 285.210 3.294 20 30 CGEDMN N#CCSCCCN1CCc2cc(Cl)ccc2C1 ZINC000192246064 262200370 /nfs/dbraw/zinc/20/03/70/262200370.db2.gz VMWVJPZRPCBDAT-UHFFFAOYSA-N 0 1 280.824 3.345 20 30 CGEDMN N#C[C@H](Sc1nc(C2CC2)n[nH]1)C1CCCCC1 ZINC000115186962 262365715 /nfs/dbraw/zinc/36/57/15/262365715.db2.gz IUGVYRRRQNQUPQ-NSHDSACASA-N 0 1 262.382 3.247 20 30 CGEDMN Cc1cc2cn[nH]c2c(C(=O)Nc2ccc(CC#N)cc2)c1 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264559285 /nfs/dbraw/zinc/55/92/85/264559285.db2.gz AQPYYRRRZBUDEB-LBPRGKRZSA-N 0 1 287.794 3.084 20 30 CGEDMN CC[C@@H](C#N)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC000094079815 265216157 /nfs/dbraw/zinc/21/61/57/265216157.db2.gz UOEHQVUTEPOTKF-VIFPVBQESA-N 0 1 288.734 3.231 20 30 CGEDMN CC(=Cc1cccc(Cl)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193610846 270079327 /nfs/dbraw/zinc/07/93/27/270079327.db2.gz IVJPFRHUMNIOMW-TWGQIWQCSA-N 0 1 285.734 3.164 20 30 CGEDMN C=CCCCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000117872340 267223861 /nfs/dbraw/zinc/22/38/61/267223861.db2.gz QZDOYFGLCUPCEH-UHFFFAOYSA-N 0 1 292.810 3.064 20 30 CGEDMN COCCCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000369802548 267267127 /nfs/dbraw/zinc/26/71/27/267267127.db2.gz CYJRGKGHBNYCIP-IRXDYDNUSA-N 0 1 272.392 3.185 20 30 CGEDMN N#CCCCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369803571 267267903 /nfs/dbraw/zinc/26/79/03/267267903.db2.gz MWQLUAWEYWTUMO-IAGOWNOFSA-N 0 1 267.376 3.452 20 30 CGEDMN C[C@H]1CC(F)(F)CCN1CCOc1cccc(C#N)c1 ZINC000528766487 270172170 /nfs/dbraw/zinc/17/21/70/270172170.db2.gz LCMGFOJLVXLWPH-LBPRGKRZSA-N 0 1 280.318 3.057 20 30 CGEDMN COc1ccc(CN[C@H]2CCc3c2cccc3O)cc1C#N ZINC000266175270 274111088 /nfs/dbraw/zinc/11/10/88/274111088.db2.gz DJAZIVFNNXEZBZ-INIZCTEOSA-N 0 1 294.354 3.050 20 30 CGEDMN N#CC1(CN[C@@H]2Cc3ccc(Cl)cc3C2)CCC1 ZINC000334625067 274916461 /nfs/dbraw/zinc/91/64/61/274916461.db2.gz TUJJKSLUYMEANP-CQSZACIVSA-N 0 1 260.768 3.091 20 30 CGEDMN CCCN(Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)C ZINC000459332795 276001065 /nfs/dbraw/zinc/00/10/65/276001065.db2.gz XFNYGTGSBVOCFY-UHFFFAOYSA-N 0 1 275.352 3.334 20 30 CGEDMN CN1CCN(Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000353284696 277108997 /nfs/dbraw/zinc/10/89/97/277108997.db2.gz WILVVCHTOLJYFH-UHFFFAOYSA-N 0 1 283.400 3.072 20 30 CGEDMN CC1(C)CC[C@H](C(=O)Nc2ccc3[nH]nnc3c2)C1 ZINC000329287259 278275550 /nfs/dbraw/zinc/27/55/50/278275550.db2.gz HDWFDLKOCWVGNO-VIFPVBQESA-N 0 1 258.325 3.372 20 30 CGEDMN Cc1n[nH]cc1C1CCN(Cc2cccc(C#N)c2F)CC1 ZINC000560183692 289575556 /nfs/dbraw/zinc/57/55/56/289575556.db2.gz TVHSWWIGKJMJGW-UHFFFAOYSA-N 0 1 298.365 3.109 20 30 CGEDMN CCc1nc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cs1 ZINC000192854908 327878302 /nfs/dbraw/zinc/87/83/02/327878302.db2.gz FQRUFHPABYQOKL-GRYCIOLGSA-N 0 1 263.410 3.438 20 30 CGEDMN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnc(C)[nH]1 ZINC000339223772 328002471 /nfs/dbraw/zinc/00/24/71/328002471.db2.gz UXQQPWUTMAFWAU-UHFFFAOYSA-N 0 1 295.795 3.261 20 30 CGEDMN C=CC[N@H+](Cc1oc(-c2ccccc2)nc1C(=O)[O-])C1CC1 ZINC000563281495 328007417 /nfs/dbraw/zinc/00/74/17/328007417.db2.gz IDIZJLLCKCSHDM-UHFFFAOYSA-N 0 1 298.342 3.190 20 30 CGEDMN C=CC[N@H+](C)[C@@H](C(=O)[O-])c1ccc(Cl)cc1Cl ZINC000571097518 328085237 /nfs/dbraw/zinc/08/52/37/328085237.db2.gz YHXFKPCQNWJUEZ-LLVKDONJSA-N 0 1 274.147 3.237 20 30 CGEDMN C[C@@H](CCC#N)N1CCC(C(=O)c2ccccc2)CC1 ZINC000276365579 328218074 /nfs/dbraw/zinc/21/80/74/328218074.db2.gz ZVWLBWDXWLBHQP-AWEZNQCLSA-N 0 1 270.376 3.274 20 30 CGEDMN N#Cc1csc(CN[C@H]2C[C@H](c3ccccc3F)C2)n1 ZINC000564415396 322030269 /nfs/dbraw/zinc/03/02/69/322030269.db2.gz OGXJXGIZNYFLNK-XYPYZODXSA-N 0 1 287.363 3.190 20 30 CGEDMN CCC1(CC)CN(Cc2ccc(C#N)cn2)CCS1 ZINC000569351552 322244283 /nfs/dbraw/zinc/24/42/83/322244283.db2.gz HFNQUCHXFJVXJK-UHFFFAOYSA-N 0 1 275.421 3.061 20 30 CGEDMN CC(C)(C)OCc1cc(CNCC(C)(C)CCC#N)no1 ZINC000186427988 329342366 /nfs/dbraw/zinc/34/23/66/329342366.db2.gz LVOXGOCIRANIKV-UHFFFAOYSA-N 0 1 293.411 3.409 20 30 CGEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000255953815 327037007 /nfs/dbraw/zinc/03/70/07/327037007.db2.gz SLTKLMFLMUAGLC-CAOSSQGBSA-N 0 1 280.456 3.214 20 30 CGEDMN C=CC[C@H](CC)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000410129936 327179984 /nfs/dbraw/zinc/17/99/84/327179984.db2.gz IBZVKOPCMGZHLO-HNNXBMFYSA-N 0 1 295.386 3.332 20 30 CGEDMN COc1cc(C)ccc1CNCc1ccc(CC#N)cc1 ZINC000569574894 327200136 /nfs/dbraw/zinc/20/01/36/327200136.db2.gz DTXCZFQCGDWCFR-UHFFFAOYSA-N 0 1 280.371 3.360 20 30 CGEDMN C=C(C)C[N@H+](CC)Cc1c(Cl)cccc1C(=O)[O-] ZINC000583387093 327337828 /nfs/dbraw/zinc/33/78/28/327337828.db2.gz YGDLDYCHAYIYML-UHFFFAOYSA-N 0 1 267.756 3.436 20 30 CGEDMN C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000155131504 327390378 /nfs/dbraw/zinc/39/03/78/327390378.db2.gz ARDAEKPAHDMUTG-CYBMUJFWSA-N 0 1 294.826 3.243 20 30 CGEDMN C=C(C)CN(CC)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000155131504 327390379 /nfs/dbraw/zinc/39/03/79/327390379.db2.gz ARDAEKPAHDMUTG-CYBMUJFWSA-N 0 1 294.826 3.243 20 30 CGEDMN N#CCCNCCc1cccc(OCc2ccccc2)c1 ZINC000390741593 328974264 /nfs/dbraw/zinc/97/42/64/328974264.db2.gz MKPTXYCPNVNIGY-UHFFFAOYSA-N 0 1 280.371 3.311 20 30 CGEDMN CCC(CC)CN(CCC#N)C[C@@H]1CCCCO1 ZINC000173550153 329149061 /nfs/dbraw/zinc/14/90/61/329149061.db2.gz YGGPRLDKPLVYJH-HNNXBMFYSA-N 0 1 252.402 3.207 20 30 CGEDMN C=C(C)CN(C)Cc1cn(-c2ccccc2)nc1C ZINC000181045062 329225515 /nfs/dbraw/zinc/22/55/15/329225515.db2.gz YNKGQYWPVJZDOM-UHFFFAOYSA-N 0 1 255.365 3.189 20 30 CGEDMN C=C(C)CN(C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000181260898 329228361 /nfs/dbraw/zinc/22/83/61/329228361.db2.gz JPNKJXRDIQDBBS-LLVKDONJSA-N 0 1 298.333 3.123 20 30 CGEDMN N#CCCCN1CC[C@H](c2c(F)cccc2F)C1 ZINC000185318571 329273035 /nfs/dbraw/zinc/27/30/35/329273035.db2.gz CGPWHZCFOIEHDY-NSHDSACASA-N 0 1 250.292 3.058 20 30 CGEDMN Cc1cc([C@H](C)NCc2ccc(C#N)cn2)c(C)s1 ZINC000582863818 329278117 /nfs/dbraw/zinc/27/81/17/329278117.db2.gz YCJCKQOFDOJOAH-NSHDSACASA-N 0 1 271.389 3.482 20 30 CGEDMN C=C(C)[C@H](NCCC(=O)OCC)c1ccc(F)c(F)c1 ZINC000187762311 329360556 /nfs/dbraw/zinc/36/05/56/329360556.db2.gz LORMFOQAEHDJKZ-HNNXBMFYSA-N 0 1 283.318 3.125 20 30 CGEDMN C=C(C)CCN1CCN(c2cccc(F)c2F)CC1 ZINC000509669916 332877866 /nfs/dbraw/zinc/87/78/66/332877866.db2.gz HOJLYZOQBBVYTD-UHFFFAOYSA-N 0 1 266.335 3.053 20 30 CGEDMN C=CCc1cc(CN2[C@@H](C)C[C@@H]2C)cc(OC)c1O ZINC000527529617 330258062 /nfs/dbraw/zinc/25/80/62/330258062.db2.gz IRQHKXDBTBHQSI-RYUDHWBXSA-N 0 1 261.365 3.112 20 30 CGEDMN Cc1ccccc1-c1nc(=N[C@H]2CC[C@@H](CC#N)C2)s[nH]1 ZINC000528032390 330305333 /nfs/dbraw/zinc/30/53/33/330305333.db2.gz YJHHOICHUQKQMS-STQMWFEESA-N 0 1 298.415 3.430 20 30 CGEDMN C=C(C)C(C)(C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000424538959 330370900 /nfs/dbraw/zinc/37/09/00/330370900.db2.gz GSAHDRQEUQAQBB-GFCCVEGCSA-N 0 1 280.437 3.069 20 30 CGEDMN C=CC(C)(C)C[NH2+]Cc1cccc([O-])c1Br ZINC000315579264 330477682 /nfs/dbraw/zinc/47/76/82/330477682.db2.gz MHWBOPKCOXIDBD-UHFFFAOYSA-N 0 1 284.197 3.457 20 30 CGEDMN C=C(C)CNCc1ccc(C)cc1Br ZINC000160305582 330862839 /nfs/dbraw/zinc/86/28/39/330862839.db2.gz JFIMADQRJBTZRA-UHFFFAOYSA-N 0 1 254.171 3.423 20 30 CGEDMN C=C(CN[C@@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000447539687 330868956 /nfs/dbraw/zinc/86/89/56/330868956.db2.gz AVVNBAOYQMGOCX-ZDUSSCGKSA-N 0 1 285.343 3.430 20 30 CGEDMN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(F)cc1F ZINC000451974136 331049095 /nfs/dbraw/zinc/04/90/95/331049095.db2.gz RTZUORROWKLBGX-CJNGLKHVSA-N 0 1 281.346 3.429 20 30 CGEDMN C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000453346969 331119999 /nfs/dbraw/zinc/11/99/99/331119999.db2.gz KOSATYBJPJXILB-SCRDCRAPSA-N 0 1 292.448 3.406 20 30 CGEDMN C=CCCCCCN[C@@H](CO)c1c(F)cccc1F ZINC000488245866 331995742 /nfs/dbraw/zinc/99/57/42/331995742.db2.gz CBGTWWOATAERNA-AWEZNQCLSA-N 0 1 269.335 3.334 20 30 CGEDMN C=CCn1cccc1C(=O)Nc1cccc(Cl)c1O ZINC000488944592 332034594 /nfs/dbraw/zinc/03/45/94/332034594.db2.gz QALSQIYKZVDQMT-UHFFFAOYSA-N 0 1 276.723 3.285 20 30 CGEDMN C=C[C@H]1CCCCN1CC(=O)NCCC1=CCCCC1 ZINC000489396500 332049818 /nfs/dbraw/zinc/04/98/18/332049818.db2.gz GMWFGRNFVIKRAL-INIZCTEOSA-N 0 1 276.424 3.034 20 30 CGEDMN C=C[C@@H]1CCCCN1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000489404904 332050476 /nfs/dbraw/zinc/05/04/76/332050476.db2.gz PWZWLVNGNJSKMC-QGZVFWFLSA-N 0 1 298.430 3.218 20 30 CGEDMN C#C[C@@H](CC)NCc1ccccc1OCc1ccccn1 ZINC000491230442 332170485 /nfs/dbraw/zinc/17/04/85/332170485.db2.gz NALXXJSFBAAXQG-INIZCTEOSA-N 0 1 280.371 3.162 20 30 CGEDMN C[C@H](NCc1cccc(O)c1)c1cccc(C#N)c1 ZINC000174428774 335154449 /nfs/dbraw/zinc/15/44/49/335154449.db2.gz XDMIAFQAAFKMOO-LBPRGKRZSA-N 0 1 252.317 3.115 20 30 CGEDMN C=CCOc1cccc(CNC(C)(C)c2cnn(C)c2)c1 ZINC000545996691 334011452 /nfs/dbraw/zinc/01/14/52/334011452.db2.gz SFYSXKVPPLYXED-UHFFFAOYSA-N 0 1 285.391 3.010 20 30 CGEDMN C=CCCCCCNC(=O)c1n[nH]c2ccccc21 ZINC000576239736 335176319 /nfs/dbraw/zinc/17/63/19/335176319.db2.gz HUVIGIIQRPNBBE-UHFFFAOYSA-N 0 1 257.337 3.039 20 30 CGEDMN CCN(C[C@@H](C)C#N)C[C@H](C)c1ccc(OC)cc1 ZINC000245868932 334222139 /nfs/dbraw/zinc/22/21/39/334222139.db2.gz RBAYSMMNJSONQP-KBPBESRZSA-N 0 1 260.381 3.280 20 30 CGEDMN N#CCCNCCCc1ccc(Cl)cc1Cl ZINC000566113318 334624336 /nfs/dbraw/zinc/62/43/36/334624336.db2.gz XXCDIJGHIRQKOX-UHFFFAOYSA-N 0 1 257.164 3.429 20 30 CGEDMN C=CCN(CC=C)Cc1ccc(OC)c(OCC)c1 ZINC000158129081 334793224 /nfs/dbraw/zinc/79/32/24/334793224.db2.gz OGLRPJFGWYVCHP-UHFFFAOYSA-N 0 1 261.365 3.268 20 30 CGEDMN C=CC1CCN(Cc2cn3cc(C)ccc3n2)CC1 ZINC000176925026 335340826 /nfs/dbraw/zinc/34/08/26/335340826.db2.gz UTGMUOHKURSVOV-UHFFFAOYSA-N 0 1 255.365 3.041 20 30 CGEDMN N#Cc1ccc(CNCc2cc(F)cc(F)c2)s1 ZINC000176944667 335342389 /nfs/dbraw/zinc/34/23/89/335342389.db2.gz HINCIGFTPJRJOQ-UHFFFAOYSA-N 0 1 264.300 3.188 20 30 CGEDMN N#CCC[C@@H](NCc1cnn2ccccc12)c1ccccc1 ZINC000178756704 335449329 /nfs/dbraw/zinc/44/93/29/335449329.db2.gz BFVNFSIDRDOTLR-QGZVFWFLSA-N 0 1 290.370 3.469 20 30 CGEDMN COc1ccc(C[C@H](C)CN(C)CC2(C#N)CC2)cc1 ZINC000347495717 533777250 /nfs/dbraw/zinc/77/72/50/533777250.db2.gz XSQXCQKOAWYAKO-AWEZNQCLSA-N 0 1 272.392 3.109 20 30 CGEDMN C[C@@H](CN1CCC(C#N)CC1)c1cc(F)cc(F)c1 ZINC000336226258 533807001 /nfs/dbraw/zinc/80/70/01/533807001.db2.gz PZDLISXRBNJIOL-NSHDSACASA-N 0 1 264.319 3.304 20 30 CGEDMN C[C@H](NCc1ccccc1C#N)[C@H]1OCCc2sccc21 ZINC000368375006 533934618 /nfs/dbraw/zinc/93/46/18/533934618.db2.gz IUTDBPBIXLHGJI-YVEFUNNKSA-N 0 1 298.411 3.412 20 30 CGEDMN C=CCCC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000264008961 534627715 /nfs/dbraw/zinc/62/77/15/534627715.db2.gz 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CCCCCCCCCn1cc([C@@H](C)NC)nn1 ZINC000311235860 619124312 /nfs/dbraw/zinc/12/43/12/619124312.db2.gz TWYIEBBAMINMDH-CYBMUJFWSA-N 0 1 252.406 3.309 20 30 CGEDMN CC(C)Cc1ccc(CN2CCC(C)(C#N)CC2)cn1 ZINC000893471704 619186475 /nfs/dbraw/zinc/18/64/75/619186475.db2.gz VNKVIQFWXFYYST-UHFFFAOYSA-N 0 1 271.408 3.406 20 30 CGEDMN C=C1CCN(C(=O)c2cccc3[nH]c(C(F)F)nc32)CC1 ZINC000932037239 619296013 /nfs/dbraw/zinc/29/60/13/619296013.db2.gz ASJIAHBFULSGJS-UHFFFAOYSA-N 0 1 291.301 3.293 20 30 CGEDMN C=CCN(Cc1cccs1)Cc1n[nH]c(C)c1C ZINC000893908836 619334379 /nfs/dbraw/zinc/33/43/79/619334379.db2.gz DDZDJVINLZQXDC-UHFFFAOYSA-N 0 1 261.394 3.276 20 30 CGEDMN CC(C)(C)CC[C@H](CNCCC#N)NC(=O)OC(C)(C)C ZINC000894085094 619365438 /nfs/dbraw/zinc/36/54/38/619365438.db2.gz YOGGSVYPVKMADD-CYBMUJFWSA-N 0 1 297.443 3.209 20 30 CGEDMN O=C(/C=C/c1cc(O)ccc1[N+](=O)[O-])c1ccsc1 ZINC000178724485 619379807 /nfs/dbraw/zinc/37/98/07/619379807.db2.gz YRAOXKSXIAZJDF-DAFODLJHSA-N 0 1 275.285 3.258 20 30 CGEDMN Cc1ccc(NN=C2CC(C)(C)Oc3ccsc32)nn1 ZINC000814840260 619425212 /nfs/dbraw/zinc/42/52/12/619425212.db2.gz HZIBTSDANWKILX-UHFFFAOYSA-N 0 1 288.376 3.224 20 30 CGEDMN CC[C@H](CC#N)NCc1cc2c(cccc2O)s1 ZINC000894469048 619546633 /nfs/dbraw/zinc/54/66/33/619546633.db2.gz ISMZQNAXUMDMEW-SNVBAGLBSA-N 0 1 260.362 3.389 20 30 CGEDMN Cc1cc(C#N)cc(C)c1CN1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000894648595 619594858 /nfs/dbraw/zinc/59/48/58/619594858.db2.gz IQRZSGKEEJBPCD-RTBURBONSA-N 0 1 296.414 3.319 20 30 CGEDMN C#CCCCCCCN(C)[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000894963519 619689580 /nfs/dbraw/zinc/68/95/80/619689580.db2.gz PPYATXXJRBFBEG-QGZVFWFLSA-N 0 1 296.418 3.410 20 30 CGEDMN C[C@@H](c1cccc(C#N)c1)N(C)Cc1cnn(C)c1C1CC1 ZINC000895017328 619696378 /nfs/dbraw/zinc/69/63/78/619696378.db2.gz BKEVFCWERXQAMZ-ZDUSSCGKSA-N 0 1 294.402 3.362 20 30 CGEDMN Cc1[nH]nc(CN(C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000895055302 619703063 /nfs/dbraw/zinc/70/30/63/619703063.db2.gz KYPIFTPDUDXUEA-ZDUSSCGKSA-N 0 1 268.364 3.091 20 30 CGEDMN C=C(Cl)CN[C@H]1CCCc2ccc(OC)cc21 ZINC000163372203 619709557 /nfs/dbraw/zinc/70/95/57/619709557.db2.gz ALPOPOLNSBCIEV-AWEZNQCLSA-N 0 1 251.757 3.415 20 30 CGEDMN C=CCOc1ccc(CNC[C@@H]2CC(C)=NO2)cc1Cl ZINC000895307847 619803934 /nfs/dbraw/zinc/80/39/34/619803934.db2.gz FNBURDPOYUIHLC-ZDUSSCGKSA-N 0 1 294.782 3.159 20 30 CGEDMN C[C@@H](CCC#N)C[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000895408372 619822643 /nfs/dbraw/zinc/82/26/43/619822643.db2.gz AZEJDRIRVLDFMC-BBRMVZONSA-N 0 1 280.412 3.122 20 30 CGEDMN CN(c1ccccc1)[C@@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000895437086 619828392 /nfs/dbraw/zinc/82/83/92/619828392.db2.gz UAHPEOKODQUYRF-MRXNPFEDSA-N 0 1 297.427 3.330 20 30 CGEDMN C=CCCC(C)(C)NCc1nnc(C(C)C)s1 ZINC000895471704 619837139 /nfs/dbraw/zinc/83/71/39/619837139.db2.gz XIQAOCQQKIIVLM-UHFFFAOYSA-N 0 1 253.415 3.496 20 30 CGEDMN C=CCC1(O)CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC000895826856 619889214 /nfs/dbraw/zinc/88/92/14/619889214.db2.gz ALKQGEKFPIETIV-UHFFFAOYSA-N 0 1 293.382 3.127 20 30 CGEDMN C=C(Cl)CN(C)C1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000985596948 620220011 /nfs/dbraw/zinc/22/00/11/620220011.db2.gz INCUTONCCZPKSN-UHFFFAOYSA-N 0 1 298.858 3.098 20 30 CGEDMN CC[C@@H](C#N)Oc1cccc(CNCc2ccco2)c1 ZINC000073012281 625407686 /nfs/dbraw/zinc/40/76/86/625407686.db2.gz PLUCUGHXKYBOHI-AWEZNQCLSA-N 0 1 270.332 3.250 20 30 CGEDMN C=CCCOCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752306 620377176 /nfs/dbraw/zinc/37/71/76/620377176.db2.gz SKJISBDFINIUAW-NSHDSACASA-N 0 1 269.772 3.289 20 30 CGEDMN CCC(CC)(CNCc1nc(C#N)cs1)C(F)(F)F ZINC000865756733 620408443 /nfs/dbraw/zinc/40/84/43/620408443.db2.gz ZESCHVZDPXGHLZ-UHFFFAOYSA-N 0 1 291.342 3.473 20 30 CGEDMN C[C@@H](CSC(C)(C)C)NCc1nc(C#N)cs1 ZINC000897628014 620413932 /nfs/dbraw/zinc/41/39/32/620413932.db2.gz AAKUXVCFEWHZKV-VIFPVBQESA-N 0 1 269.439 3.025 20 30 CGEDMN C=C(C)CN1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000989591546 620518174 /nfs/dbraw/zinc/51/81/74/620518174.db2.gz YRXFNSLNOWNAMM-UHFFFAOYSA-N 0 1 286.419 3.027 20 30 CGEDMN C[C@H](NCc1cccc(C#N)c1)c1ccnn1C1CCC1 ZINC000924641187 620554276 /nfs/dbraw/zinc/55/42/76/620554276.db2.gz WVAXGDUHBWXOSC-ZDUSSCGKSA-N 0 1 280.375 3.331 20 30 CGEDMN Cc1ccc(CN[C@H]2CCc3cccnc32)cc1C#N ZINC000926967006 620556870 /nfs/dbraw/zinc/55/68/70/620556870.db2.gz ZIGWVKHKTMKCNX-INIZCTEOSA-N 0 1 263.344 3.039 20 30 CGEDMN Clc1n[nH]c(C2CC2)c1CN=Nc1cc(Cl)ccn1 ZINC000901216068 620843231 /nfs/dbraw/zinc/84/32/31/620843231.db2.gz VNFUHTDXKLRHDB-UHFFFAOYSA-N 0 1 296.161 3.435 20 30 CGEDMN Cc1cccc(F)c1N=NCc1nccn1C1CC1 ZINC000901220340 620843811 /nfs/dbraw/zinc/84/38/11/620843811.db2.gz MMISKBZEWBITAT-UHFFFAOYSA-N 0 1 258.300 3.112 20 30 CGEDMN C#CCCCCCC[N@@H+]1CC[C@@](C(=O)[O-])(C(C)C)C1 ZINC000901465387 620895070 /nfs/dbraw/zinc/89/50/70/620895070.db2.gz CBOPXQVCZWLDJA-INIZCTEOSA-N 0 1 265.397 3.003 20 30 CGEDMN Cc1cn[nH]c1CSCCc1ccc(C#N)cc1 ZINC000902420167 621311322 /nfs/dbraw/zinc/31/13/22/621311322.db2.gz PRCHOJLVHSUWCJ-UHFFFAOYSA-N 0 1 257.362 3.066 20 30 CGEDMN COc1cccc([C@@H](C)N[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902756472 621426376 /nfs/dbraw/zinc/42/63/76/621426376.db2.gz GXLDNVPYIPUPCW-OLZOCXBDSA-N 0 1 281.359 3.374 20 30 CGEDMN C[C@@H](NCCOC1CCCCCC1)c1cc(C#N)ccn1 ZINC000902808209 621444442 /nfs/dbraw/zinc/44/44/42/621444442.db2.gz FRERSJOMPPCTIB-CQSZACIVSA-N 0 1 287.407 3.343 20 30 CGEDMN CC[C@H](NCc1ccc(F)cn1)c1cccc(C#N)c1 ZINC000902844513 621471875 /nfs/dbraw/zinc/47/18/75/621471875.db2.gz KEYYZQAAWUJSCG-INIZCTEOSA-N 0 1 269.323 3.333 20 30 CGEDMN CCc1nc([C@@H](C)N[C@@H](CC)c2cccc(C#N)c2)n[nH]1 ZINC000902889729 621487444 /nfs/dbraw/zinc/48/74/44/621487444.db2.gz PXHCCPYLTUPBJT-RISCZKNCSA-N 0 1 283.379 3.041 20 30 CGEDMN CC[C@@H](NC[C@@H](OC)C(F)(F)F)c1cccc(C#N)c1 ZINC000902911002 621495043 /nfs/dbraw/zinc/49/50/43/621495043.db2.gz PKTRGWSISCFTIO-CHWSQXEVSA-N 0 1 286.297 3.176 20 30 CGEDMN C[C@@H]1C[C@@H](NCC(C)(C)C#N)c2c1c(F)ccc2O ZINC000903099828 621573509 /nfs/dbraw/zinc/57/35/09/621573509.db2.gz AWSPPZXJNZMYDK-MWLCHTKSSA-N 0 1 262.328 3.219 20 30 CGEDMN C[C@H](NCC1(C#N)CC1)c1cc2c(cc1O)CCCC2 ZINC000903106467 621579287 /nfs/dbraw/zinc/57/92/87/621579287.db2.gz RBOWSJZBKHWCBF-LBPRGKRZSA-N 0 1 270.376 3.225 20 30 CGEDMN C[C@@H](NCC1(C#N)CCCC1)c1cc(F)ccc1O ZINC000903110007 621583816 /nfs/dbraw/zinc/58/38/16/621583816.db2.gz YOGVMHJEDVTKNO-LLVKDONJSA-N 0 1 262.328 3.266 20 30 CGEDMN CSc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1C#N ZINC000903093346 621584477 /nfs/dbraw/zinc/58/44/77/621584477.db2.gz ITCVKVSIAXESAW-CQSZACIVSA-N 0 1 298.415 3.170 20 30 CGEDMN CC[C@@H](NCc1nc(C#N)cs1)c1ccc(C)cc1O ZINC000903263393 621648823 /nfs/dbraw/zinc/64/88/23/621648823.db2.gz MYDWULTUSVQFNP-CYBMUJFWSA-N 0 1 287.388 3.270 20 30 CGEDMN C[C@H](N[C@@H]1CCc2ccc(C#N)cc21)c1cncs1 ZINC000903312195 621684489 /nfs/dbraw/zinc/68/44/89/621684489.db2.gz UGEIUCZOKCCJHW-IINYFYTJSA-N 0 1 269.373 3.353 20 30 CGEDMN CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC000903672987 621786351 /nfs/dbraw/zinc/78/63/51/621786351.db2.gz WAOQOOPDEUGQRK-UHFFFAOYSA-N 0 1 280.393 3.208 20 30 CGEDMN CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C(=O)[O-])s1 ZINC000903672987 621786355 /nfs/dbraw/zinc/78/63/55/621786355.db2.gz WAOQOOPDEUGQRK-UHFFFAOYSA-N 0 1 280.393 3.208 20 30 CGEDMN Cc1cc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])ccc1C#N ZINC000903698176 621791895 /nfs/dbraw/zinc/79/18/95/621791895.db2.gz QPRAMLVRTAREMA-INIZCTEOSA-N 0 1 286.375 3.086 20 30 CGEDMN C=CCCCC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000905373707 622065954 /nfs/dbraw/zinc/06/59/54/622065954.db2.gz WSETTWWKOHUBDK-OAHLLOKOSA-N 0 1 277.364 3.109 20 30 CGEDMN C[C@@H](COCC1CCCCC1)NC[C@@H](C#N)CCC#N ZINC000905856171 622121053 /nfs/dbraw/zinc/12/10/53/622121053.db2.gz CBQCTDJXOJSFLP-GOEBONIOSA-N 0 1 277.412 3.005 20 30 CGEDMN N#Cc1ccc(-c2cnc([C@H]3CCCCN3)nc2)cc1Cl ZINC000906166120 622164219 /nfs/dbraw/zinc/16/42/19/622164219.db2.gz YDRHLACEHWDTHN-OAHLLOKOSA-N 0 1 298.777 3.483 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(-c2ccccc2F)nn1 ZINC000906316987 622217133 /nfs/dbraw/zinc/21/71/33/622217133.db2.gz JLBKMKNIUDYHTC-GASCZTMLSA-N 0 1 298.365 3.089 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cn(-c2ccccc2F)nn1 ZINC000906316987 622217136 /nfs/dbraw/zinc/21/71/36/622217136.db2.gz JLBKMKNIUDYHTC-GASCZTMLSA-N 0 1 298.365 3.089 20 30 CGEDMN CC(C)(C(=O)OCCCCC1(C#N)CCC1)N1CCCC1 ZINC000909310634 622417156 /nfs/dbraw/zinc/41/71/56/622417156.db2.gz AOXVPFSBKWZGTI-UHFFFAOYSA-N 0 1 292.423 3.268 20 30 CGEDMN C#CCOc1ccccc1CNCc1ccsc1 ZINC000062103890 623198493 /nfs/dbraw/zinc/19/84/93/623198493.db2.gz XUPKEVLENGDRRL-UHFFFAOYSA-N 0 1 257.358 3.050 20 30 CGEDMN COc1ccc(C(=O)/C=C/c2nc(Cl)cs2)c(O)c1 ZINC000759084696 623519489 /nfs/dbraw/zinc/51/94/89/623519489.db2.gz PXWLEIFQVIYOHM-SNAWJCMRSA-N 0 1 295.747 3.407 20 30 CGEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000151599172 623544488 /nfs/dbraw/zinc/54/44/88/623544488.db2.gz SEQBGTVBENCGGT-VNHYZAJKSA-N 0 1 284.359 3.160 20 30 CGEDMN C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC000992971926 623762342 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CCC[C@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccn1 ZINC000774083443 627943832 /nfs/dbraw/zinc/94/38/32/627943832.db2.gz WBORPBXEPQCLBJ-ZDUSSCGKSA-N 0 1 295.342 3.181 20 30 CGEDMN CC[C@H](NCc1cccc(F)n1)c1ccc(C#N)cc1 ZINC000774269230 627970935 /nfs/dbraw/zinc/97/09/35/627970935.db2.gz KAZHZELFWJXKFV-HNNXBMFYSA-N 0 1 269.323 3.333 20 30 CGEDMN CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(C#N)cc1 ZINC000774370082 627983531 /nfs/dbraw/zinc/98/35/31/627983531.db2.gz XCNVJLCYGJSZPK-QGZVFWFLSA-N 0 1 276.343 3.066 20 30 CGEDMN C#C[C@@H](C)N(C)Cc1ccc(OCCCC)c(OC)c1 ZINC000775182612 628069985 /nfs/dbraw/zinc/06/99/85/628069985.db2.gz FBZQNMDJRDLEBC-CQSZACIVSA-N 0 1 275.392 3.328 20 30 CGEDMN C#C[C@H](C)N(C)Cc1cc(C)ccc1OC(F)F ZINC000775184048 628070620 /nfs/dbraw/zinc/07/06/20/628070620.db2.gz UBGQANOIKJVXKK-NSHDSACASA-N 0 1 253.292 3.050 20 30 CGEDMN C#C[C@H](NCc1cccc(-c2ccccn2)c1)[C@H]1CCCO1 ZINC000775348032 628085266 /nfs/dbraw/zinc/08/52/66/628085266.db2.gz HVWKOFVJYNXZLZ-PKOBYXMFSA-N 0 1 292.382 3.019 20 30 CGEDMN 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C=CCCC[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000652470261 418972645 /nfs/dbraw/zinc/97/26/45/418972645.db2.gz RJDYYQYFLYSJLL-CZUORRHYSA-N 0 1 273.376 3.415 20 30 CGEDMN C=CCCn1cc(CN2CCC[C@@]3(CC=CCC3)C2)nn1 ZINC000653556913 419048515 /nfs/dbraw/zinc/04/85/15/419048515.db2.gz PLCRNOHBSOWADE-KRWDZBQOSA-N 0 1 286.423 3.177 20 30 CGEDMN C=C(C)CC[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccc(Cl)cc2)C1 ZINC000659798131 418992712 /nfs/dbraw/zinc/99/27/12/418992712.db2.gz VKSVOTDIGDSGRB-CABCVRRESA-N 0 1 293.794 3.406 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)[O-])cc1 ZINC000659801190 418994989 /nfs/dbraw/zinc/99/49/89/418994989.db2.gz BHCPGHQPTVURSV-GASCZTMLSA-N 0 1 257.333 3.068 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)[O-])oc1CC ZINC000659802315 418995326 /nfs/dbraw/zinc/99/53/26/418995326.db2.gz SRYTXBBBFUUITL-BETUJISGSA-N 0 1 275.348 3.223 20 30 CGEDMN C=CCN(Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659821714 419000034 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292.398 3.147 20 30 CGEDMN Cn1cc(CN(Cc2ccc(F)cc2)C2CC2)cc1C#N ZINC000191150145 130191284 /nfs/dbraw/zinc/19/12/84/130191284.db2.gz QSXWOEUTJQSJNW-UHFFFAOYSA-N 0 1 283.350 3.200 20 30 CGEDMN C[C@H]1CCN(Cc2cc(C#N)ccc2F)CCS1 ZINC000192178213 130389315 /nfs/dbraw/zinc/38/93/15/130389315.db2.gz AWTVBCQJAPASAQ-NSHDSACASA-N 0 1 264.369 3.025 20 30 CGEDMN C[N@@H+](CCc1ccccc1O)Cc1ccc(C#N)c(F)c1 ZINC000361746704 392310867 /nfs/dbraw/zinc/31/08/67/392310867.db2.gz ALQZAROVQUBUJZ-UHFFFAOYSA-N 0 1 284.334 3.077 20 30 CGEDMN CC(C)n1cc([C@H](C)NCc2ccc(C#N)c(F)c2)cn1 ZINC000361753401 392313835 /nfs/dbraw/zinc/31/38/35/392313835.db2.gz ITYGKQVBAOCOEJ-LBPRGKRZSA-N 0 1 286.354 3.326 20 30 CGEDMN CC(C)n1cc([C@@H](C)NCc2ccc(C#N)c(F)c2)cn1 ZINC000361753400 392313872 /nfs/dbraw/zinc/31/38/72/392313872.db2.gz ITYGKQVBAOCOEJ-GFCCVEGCSA-N 0 1 286.354 3.326 20 30 CGEDMN Cc1ccncc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000361765192 392318319 /nfs/dbraw/zinc/31/83/19/392318319.db2.gz JZWQZMOVMIJETH-GFCCVEGCSA-N 0 1 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1 270.376 3.122 20 30 CGEDMN C=CCCCN(C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135241150 392474833 /nfs/dbraw/zinc/47/48/33/392474833.db2.gz XVOFRKMULSXQCI-UHFFFAOYSA-N 0 1 293.317 3.413 20 30 CGEDMN Cc1nc(N[C@@H]2CCCc3cn[nH]c32)c(Cl)cc1C#N ZINC000292348053 392503078 /nfs/dbraw/zinc/50/30/78/392503078.db2.gz BTJURDORDKKEEG-GFCCVEGCSA-N 0 1 287.754 3.128 20 30 CGEDMN CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000329494443 392683992 /nfs/dbraw/zinc/68/39/92/392683992.db2.gz ILQVTBLNECXYFF-AWEZNQCLSA-N 0 1 272.352 3.025 20 30 CGEDMN CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000329494443 392683997 /nfs/dbraw/zinc/68/39/97/392683997.db2.gz ILQVTBLNECXYFF-AWEZNQCLSA-N 0 1 272.352 3.025 20 30 CGEDMN Cc1cc(C#N)ccc1CN(C)Cc1ccc2c(c1)OCO2 ZINC000186164799 392778516 /nfs/dbraw/zinc/77/85/16/392778516.db2.gz WMBBBKIZDSQCHE-UHFFFAOYSA-N 0 1 294.354 3.227 20 30 CGEDMN C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338927875 392936335 /nfs/dbraw/zinc/93/63/35/392936335.db2.gz RVZBCLDJMYYGJH-UHFFFAOYSA-N 0 1 265.353 3.027 20 30 CGEDMN C=C(C)CN(CC)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338927875 392936343 /nfs/dbraw/zinc/93/63/43/392936343.db2.gz RVZBCLDJMYYGJH-UHFFFAOYSA-N 0 1 265.353 3.027 20 30 CGEDMN CC(C)[C@H]1CCCN1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459296888 392939438 /nfs/dbraw/zinc/93/94/38/392939438.db2.gz HJVRLHJOHIOOHR-CQSZACIVSA-N 0 1 273.336 3.087 20 30 CGEDMN COc1ccc(CC2CCN(CC3(C#N)CC3)CC2)cc1 ZINC000343313673 393024369 /nfs/dbraw/zinc/02/43/69/393024369.db2.gz JHVRREWIVQAPSS-UHFFFAOYSA-N 0 1 284.403 3.253 20 30 CGEDMN C=C(C)[C@H](N[C@@H]1CO[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000647203337 393384786 /nfs/dbraw/zinc/38/47/86/393384786.db2.gz YBNGXJGMHCEDII-GMXABZIVSA-N 0 1 267.319 3.349 20 30 CGEDMN C=CCOc1ccc(CNCc2ccnn2CC(C)C)cc1 ZINC000647210124 393389623 /nfs/dbraw/zinc/38/96/23/393389623.db2.gz MYLLSBMDHLQYEL-UHFFFAOYSA-N 0 1 299.418 3.394 20 30 CGEDMN N#Cc1ccc2c(c1)[C@H](N[C@@H]1COCc3ccccc31)CC2 ZINC000417360403 393348462 /nfs/dbraw/zinc/34/84/62/393348462.db2.gz JTBBKMPASWZUOP-RTBURBONSA-N 0 1 290.366 3.407 20 30 CGEDMN N#Cc1csc(CN2CCC[C@@H]2Cc2ccccc2)n1 ZINC000356088489 393356783 /nfs/dbraw/zinc/35/67/83/393356783.db2.gz OYDBTIOFGDNKMP-OAHLLOKOSA-N 0 1 283.400 3.222 20 30 CGEDMN C[C@@H]1CN(Cc2nc(C#N)cs2)[C@@H]2CCCC[C@@H]21 ZINC000356420527 393440114 /nfs/dbraw/zinc/44/01/14/393440114.db2.gz SGAGVKNUBHHREB-RAIGVLPGSA-N 0 1 261.394 3.025 20 30 CGEDMN C=CCN(CCc1ccccc1)Cc1n[nH]c(C(C)C)n1 ZINC000428451518 393463365 /nfs/dbraw/zinc/46/33/65/393463365.db2.gz CBHKRLFHZKHWIC-UHFFFAOYSA-N 0 1 284.407 3.159 20 30 CGEDMN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H](C)c1ccsc1 ZINC000669828530 543125767 /nfs/dbraw/zinc/12/57/67/543125767.db2.gz OPQHURMMFHEYRU-OLZOCXBDSA-N 0 1 280.437 3.212 20 30 CGEDMN CN(C)c1ccccc1CN(C)CC#Cc1ccc(F)cc1 ZINC000677418173 543447996 /nfs/dbraw/zinc/44/79/96/543447996.db2.gz AOMBNIAEFIWAPB-UHFFFAOYSA-N 0 1 296.389 3.375 20 30 CGEDMN COCC#CCN1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000677478576 543450314 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/nfs/dbraw/zinc/39/77/58/196397758.db2.gz YXLPSYDHYZXWDE-AWEZNQCLSA-N 0 1 292.386 3.142 20 30 CGEDMN Cc1ncsc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000071212436 176084073 /nfs/dbraw/zinc/08/40/73/176084073.db2.gz HFPGBKNGWYJEQI-SNVBAGLBSA-N 0 1 257.362 3.174 20 30 CGEDMN C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)c1nnc[nH]1 ZINC000329246318 227378679 /nfs/dbraw/zinc/37/86/79/227378679.db2.gz QZNJJMZLEMKBBG-GXSJLCMTSA-N 0 1 288.376 3.102 20 30 CGEDMN C=CCOc1ccc(CN2CC=CCC2)cc1OC ZINC000679357274 543626198 /nfs/dbraw/zinc/62/61/98/543626198.db2.gz BNUQQOBHPJJMAC-UHFFFAOYSA-N 0 1 259.349 3.022 20 30 CGEDMN CCC#C[C@H](C)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000681480372 543789762 /nfs/dbraw/zinc/78/97/62/543789762.db2.gz ZZHJZVUGUMCOQR-MAUKXSAKSA-N 0 1 269.388 3.310 20 30 CGEDMN C=C(C)C[C@H](C)C(=O)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000681046373 543760779 /nfs/dbraw/zinc/76/07/79/543760779.db2.gz JMXKXSFJSNBQEC-JTQLQIEISA-N 0 1 291.782 3.435 20 30 CGEDMN Fc1ccc(CC2CN(CC#Cc3ccccc3)C2)cc1 ZINC000683018447 543889083 /nfs/dbraw/zinc/88/90/83/543889083.db2.gz AKJKDMAVGAUMRM-UHFFFAOYSA-N 0 1 279.358 3.352 20 30 CGEDMN Cc1c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)ccn1C ZINC000684949882 544042574 /nfs/dbraw/zinc/04/25/74/544042574.db2.gz KGYTTXQQIFHNTP-CYBMUJFWSA-N 0 1 292.342 3.008 20 30 CGEDMN N#Cc1ccc(CN[C@H](c2ccccc2)C2CC2)o1 ZINC000135137452 287461982 /nfs/dbraw/zinc/46/19/82/287461982.db2.gz OZECABAJNHGWSY-MRXNPFEDSA-N 0 1 252.317 3.392 20 30 CGEDMN O=C(NCc1cnc[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329160003 227332988 /nfs/dbraw/zinc/33/29/88/227332988.db2.gz FADSZJFSAZXAOU-IACUBPJLSA-N 0 1 261.369 3.473 20 30 CGEDMN C=CCC1(C(=O)N2CCN(C(C)(C)CC)CC2)CCC1 ZINC000655271193 419033310 /nfs/dbraw/zinc/03/33/10/419033310.db2.gz VFPAROGOPUUZJN-UHFFFAOYSA-N 0 1 278.440 3.066 20 30 CGEDMN C=CCC[C@@H](NCc1cc(OC)no1)c1ccccc1 ZINC000660199374 419099141 /nfs/dbraw/zinc/09/91/41/419099141.db2.gz GZJAOWXLHXIULQ-OAHLLOKOSA-N 0 1 272.348 3.480 20 30 CGEDMN C=CCCn1cc(CN2CCC[C@H]2CCCCC)nn1 ZINC000653571111 419052117 /nfs/dbraw/zinc/05/21/17/419052117.db2.gz XEGVJZNTHACAQV-MRXNPFEDSA-N 0 1 276.428 3.399 20 30 CGEDMN Cc1nc([C@@H](C)Sc2ccc(Cl)cc2C#N)n[nH]1 ZINC000601915057 572835384 /nfs/dbraw/zinc/83/53/84/572835384.db2.gz ZNTBHUIAZWNMJU-SSDOTTSWSA-N 0 1 278.768 3.492 20 30 CGEDMN C=C(CN[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000655702328 419069863 /nfs/dbraw/zinc/06/98/63/419069863.db2.gz SXQKPPYVURLPFZ-HNNXBMFYSA-N 0 1 253.349 3.021 20 30 CGEDMN C=CC[C@@H]1CCCC[C@@H]1NCc1nc([C@H](C)OC)no1 ZINC000661118041 419232284 /nfs/dbraw/zinc/23/22/84/419232284.db2.gz VRWPQRCWDYXHMK-XQQFMLRXSA-N 0 1 279.384 3.002 20 30 CGEDMN C=CCN(CC(=O)Nc1ccccc1CC)C(C)(C)C ZINC000661755670 419294686 /nfs/dbraw/zinc/29/46/86/419294686.db2.gz OHRFYMRQXWZKGY-UHFFFAOYSA-N 0 1 274.408 3.474 20 30 CGEDMN Cc1n[nH]c(C(F)F)c1NC(=O)[C@@H]1CCCOCC1 ZINC000330211258 228067663 /nfs/dbraw/zinc/06/76/63/228067663.db2.gz CYLXUUUJNKIGJD-MRVPVSSYSA-N 0 1 273.283 3.060 20 30 CGEDMN C=CCN1CCC(Nc2cccnc2C(=O)CCC)CC1 ZINC000663569767 419650245 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Cc1nc2c(cncc2-c2cc(F)c(C#N)c(F)c2)[nH]1 ZINC001239930654 820709705 /nfs/dbraw/zinc/70/97/05/820709705.db2.gz HNNJROKVUKINMJ-UHFFFAOYSA-N 0 1 270.242 3.083 20 30 CGEDMN CN1CCN(c2ccc(-c3ccc(CC#N)cc3)cc2)CC1 ZINC001240851808 821371775 /nfs/dbraw/zinc/37/17/75/821371775.db2.gz YJDDFBAYYHNJRV-UHFFFAOYSA-N 0 1 291.398 3.171 20 30 CGEDMN COc1cc(C#N)ccc1-c1nc(C)cc2[nH]ccc21 ZINC001241393126 821791260 /nfs/dbraw/zinc/79/12/60/821791260.db2.gz FEPZNEFAVGPBRE-UHFFFAOYSA-N 0 1 263.300 3.419 20 30 CGEDMN N#CCc1cc(F)ccc1-c1ccc2nc[nH]c2c1 ZINC001241697984 822080416 /nfs/dbraw/zinc/08/04/16/822080416.db2.gz QVDZBOLANYUBMZ-UHFFFAOYSA-N 0 1 251.264 3.435 20 30 CGEDMN CCOC(=O)c1cc(-c2ccc3nc[nH]c3c2)ccc1C#N ZINC001241703764 822084171 /nfs/dbraw/zinc/08/41/71/822084171.db2.gz VQHXNYQZPMZUDV-UHFFFAOYSA-N 0 1 291.310 3.278 20 30 CGEDMN COc1cc(-c2cc3[nH]cnc3c(C#N)n2)ccc1Cl ZINC001241731386 822109584 /nfs/dbraw/zinc/10/95/84/822109584.db2.gz BFJLZYLLXIGRLE-UHFFFAOYSA-N 0 1 284.706 3.159 20 30 CGEDMN N#CC1(c2cccc(-c3ccc4[nH]nnc4c3)c2)CC1 ZINC001241940390 822231516 /nfs/dbraw/zinc/23/15/16/822231516.db2.gz DPBAQMAVTFYZKV-UHFFFAOYSA-N 0 1 260.300 3.180 20 30 CGEDMN N#CC1(c2cccc(-c3ccc4nn[nH]c4c3)c2)CC1 ZINC001241940390 822231517 /nfs/dbraw/zinc/23/15/17/822231517.db2.gz DPBAQMAVTFYZKV-UHFFFAOYSA-N 0 1 260.300 3.180 20 30 CGEDMN Cc1ccc(-c2cc3[nH]cnc3c(C#N)n2)c(F)c1F ZINC001242029164 822291914 /nfs/dbraw/zinc/29/19/14/822291914.db2.gz OCXBHRKBNPHILI-UHFFFAOYSA-N 0 1 270.242 3.083 20 30 CGEDMN C#C[C@H](N[C@@H](C)c1ccccc1SC)[C@@H]1CCCO1 ZINC001339896694 936390239 /nfs/dbraw/zinc/39/02/39/936390239.db2.gz YTXXSNJPRLNAHR-QEJZJMRPSA-N 0 1 275.417 3.240 20 30 CGEDMN C=CCCCN(CC)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC001341299769 936434067 /nfs/dbraw/zinc/43/40/67/936434067.db2.gz ISGXQLYMSCYNJX-UHFFFAOYSA-N 0 1 299.378 3.087 20 30 CGEDMN C#CC[C@H](C)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001343539360 936506420 /nfs/dbraw/zinc/50/64/20/936506420.db2.gz ZTOKQZGGDWKJGN-QMMMGPOBSA-N 0 1 278.258 3.069 20 30 CGEDMN CCc1sc(C(=O)C(C#N)c2nccn2CC)cc1C ZINC001344322383 936529620 /nfs/dbraw/zinc/52/96/20/936529620.db2.gz NHQFCVYLQNQKMZ-NSHDSACASA-N 0 1 287.388 3.325 20 30 CGEDMN N#CC(C(=O)Cc1cccc(Cl)c1)c1cccc(F)n1 ZINC001344594366 936539588 /nfs/dbraw/zinc/53/95/88/936539588.db2.gz FITUYIADCIBHER-GFCCVEGCSA-N 0 1 288.709 3.293 20 30 CGEDMN N#CCC[C@H](C#N)CNCC1(c2ccccc2F)CCC1 ZINC001346136011 936839600 /nfs/dbraw/zinc/83/96/00/936839600.db2.gz INPQZLCXLIINCM-CQSZACIVSA-N 0 1 285.366 3.281 20 30 CGEDMN CCC#CCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001347261779 936876150 /nfs/dbraw/zinc/87/61/50/936876150.db2.gz DCMDIUHLYIDUEC-UHFFFAOYSA-N 0 1 278.258 3.071 20 30 CGEDMN CN(Cc1cc2ccccc2[nH]1)CC1(CC#N)CC1 ZINC001352888950 937052330 /nfs/dbraw/zinc/05/23/30/937052330.db2.gz SXRKZSCFMYLOND-UHFFFAOYSA-N 0 1 253.349 3.294 20 30 CGEDMN C=CCCCC(=O)N1CCC(CN(C)CC(=C)Cl)CC1 ZINC001481517856 927012183 /nfs/dbraw/zinc/01/21/83/927012183.db2.gz AAGFZXXIQDUYQP-UHFFFAOYSA-N 0 1 298.858 3.266 20 30 CGEDMN C=C(Cl)CN[C@H](CC)CNC(=O)c1ccoc1C1CC1 ZINC001481843920 927098440 /nfs/dbraw/zinc/09/84/40/927098440.db2.gz LAHOAWYOFRIPLZ-GFCCVEGCSA-N 0 1 296.798 3.008 20 30 CGEDMN C=C(Cl)CNC/C=C/CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001483007931 927389970 /nfs/dbraw/zinc/38/99/70/927389970.db2.gz GRCWXIKQIFAAGW-BUHQSOCUSA-N 0 1 298.858 3.073 20 30 CGEDMN C=CC(C)(C)C(=O)Nc1nc(-c2cccc(Cl)c2)n[nH]1 ZINC001357806823 937180919 /nfs/dbraw/zinc/18/09/19/937180919.db2.gz QSUBAYPDSNTVPV-UHFFFAOYSA-N 0 1 290.754 3.276 20 30 CGEDMN C=CCCCC(=O)NC1(C)CCN(C/C=C\Cl)CC1 ZINC001483973009 927656730 /nfs/dbraw/zinc/65/67/30/927656730.db2.gz QZEBDAAIYBFCIT-POHAHGRESA-N 0 1 284.831 3.066 20 30 CGEDMN CC#CCN1CC[C@](C)(NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001484075178 927672147 /nfs/dbraw/zinc/67/21/47/927672147.db2.gz VYAGCTLWCZDVCT-AEFFLSMTSA-N 0 1 292.467 3.053 20 30 CGEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001485892309 927970217 /nfs/dbraw/zinc/97/02/17/927970217.db2.gz OASQTROTFQYIOB-HUUCEWRRSA-N 0 1 298.858 3.312 20 30 CGEDMN C#CCN(C)CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C(C)C ZINC001486380238 928013755 /nfs/dbraw/zinc/01/37/55/928013755.db2.gz ATFWZWDUSDOFJT-SJORKVTESA-N 0 1 292.467 3.005 20 30 CGEDMN Cc1nc2ccc(NC34CCC(C#N)(CC3)CC4)nc2[nH]1 ZINC001169751153 928098605 /nfs/dbraw/zinc/09/86/05/928098605.db2.gz ZMIAVDBGERRIRN-UHFFFAOYSA-N 0 1 281.363 3.295 20 30 CGEDMN C#CCC1(NCc2nccc(Cl)c2Cl)CCC1 ZINC001198034644 928269397 /nfs/dbraw/zinc/26/93/97/928269397.db2.gz ZAPHRWQGCBXOEF-UHFFFAOYSA-N 0 1 269.175 3.424 20 30 CGEDMN C=CCCCC(=O)N1CC2(C[C@H]1C)CCN(CCF)CC2 ZINC001488976649 928308536 /nfs/dbraw/zinc/30/85/36/928308536.db2.gz YWXQLCGGYGSFOA-OAHLLOKOSA-N 0 1 296.430 3.015 20 30 CGEDMN C=CCCCC(=O)N1CC2(C[C@@H]1C)CCN(CCF)CC2 ZINC001488976648 928309165 /nfs/dbraw/zinc/30/91/65/928309165.db2.gz YWXQLCGGYGSFOA-HNNXBMFYSA-N 0 1 296.430 3.015 20 30 CGEDMN C=CCC(C)(C)C(=O)N1CCC[C@@H](N(C)C[C@H](F)CC)C1 ZINC001480734996 937236116 /nfs/dbraw/zinc/23/61/16/937236116.db2.gz AQDGNAUZJGQZDI-HUUCEWRRSA-N 0 1 298.446 3.260 20 30 CGEDMN C=CCN1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001493161758 928333827 /nfs/dbraw/zinc/33/38/27/928333827.db2.gz NKMYXZDZPLSDRR-AEFFLSMTSA-N 0 1 290.451 3.280 20 30 CGEDMN C=C(Cl)CN(CC)CCCNC(=O)C[C@H]1C=CCCC1 ZINC001490331610 928346021 /nfs/dbraw/zinc/34/60/21/928346021.db2.gz SXXJQLMRPJMEPX-HNNXBMFYSA-N 0 1 298.858 3.314 20 30 CGEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001490829953 928604351 /nfs/dbraw/zinc/60/43/51/928604351.db2.gz AJROYRDDXZFMQS-OCCSQVGLSA-N 0 1 286.847 3.002 20 30 CGEDMN C=C[C@H](CC)CC(=O)N[C@H]1CCCN(CC(=C)Cl)CC1 ZINC001327148273 928621883 /nfs/dbraw/zinc/62/18/83/928621883.db2.gz SATFAIDHLKTBCZ-CABCVRRESA-N 0 1 298.858 3.312 20 30 CGEDMN C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)c1ccccc1C ZINC001448869779 937376914 /nfs/dbraw/zinc/37/69/14/937376914.db2.gz BLMQHWSIEOPBPE-MRXNPFEDSA-N 0 1 288.435 3.065 20 30 CGEDMN C#C[C@@H](CC)NC(=O)c1cc(Cl)c2ccccc2c1O ZINC001448962574 937377157 /nfs/dbraw/zinc/37/71/57/937377157.db2.gz LEXCRAKFJLGVMA-JTQLQIEISA-N 0 1 287.746 3.340 20 30 CGEDMN C=CCCC[C@H](C)NC(=O)c1cccc(F)c1O ZINC001458275974 937457142 /nfs/dbraw/zinc/45/71/42/937457142.db2.gz YDFICTHVNBHFEC-JTQLQIEISA-N 0 1 251.301 3.006 20 30 CGEDMN C=CCN1C(=O)N=NC1SC[C@H]1CCCCC1(C)C ZINC001458998705 937477352 /nfs/dbraw/zinc/47/73/52/937477352.db2.gz XVBAOBBLLIIQLC-LLVKDONJSA-N 0 1 281.425 3.478 20 30 CGEDMN C#C[C@@H](NCc1ccccc1C(C)C)[C@H]1CCCO1 ZINC001459988271 937510060 /nfs/dbraw/zinc/51/00/60/937510060.db2.gz JAOHPOZPHKKRPT-IAGOWNOFSA-N 0 1 257.377 3.080 20 30 CGEDMN C=CC[C@@H](Oc1nc(C)nc2[nH]cnc21)c1ccccc1 ZINC001229438577 932151643 /nfs/dbraw/zinc/15/16/43/932151643.db2.gz PRANROKHMFUTHP-CYBMUJFWSA-N 0 1 280.331 3.358 20 30 CGEDMN C#CC[C@H](NCc1cncn1CCC)c1ccccc1 ZINC001461350936 937577025 /nfs/dbraw/zinc/57/70/25/937577025.db2.gz AFKPTEIIBDIUJO-KRWDZBQOSA-N 0 1 267.376 3.147 20 30 CGEDMN C#C[C@@H](CC(C)C)Oc1ccc(F)cc1CN(C)C ZINC001229857870 932495410 /nfs/dbraw/zinc/49/54/10/932495410.db2.gz BJDXADISESWHTE-HNNXBMFYSA-N 0 1 263.356 3.314 20 30 CGEDMN C#C[C@H](CCCCC)Oc1nc2[nH]ccc(C)c-2n1 ZINC001231057767 932668966 /nfs/dbraw/zinc/66/89/66/932668966.db2.gz ZGLKFRYPDGQQTN-GFCCVEGCSA-N 0 1 257.337 3.227 20 30 CGEDMN C#C[C@H](NC[C@@H](OC)C1CC1)c1ccc(Cl)cc1 ZINC001462304350 937631212 /nfs/dbraw/zinc/63/12/12/937631212.db2.gz KNOXRUIVAYWVKE-LSDHHAIUSA-N 0 1 263.768 3.029 20 30 CGEDMN CC(C)c1nc([C@H](C)Nc2cc(F)ccc2C#N)n[nH]1 ZINC001307087113 932911273 /nfs/dbraw/zinc/91/12/73/932911273.db2.gz OEIRBXAZYVYSGK-VIFPVBQESA-N 0 1 273.315 3.112 20 30 CGEDMN C=C(CC)CN1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001307860854 933010216 /nfs/dbraw/zinc/01/02/16/933010216.db2.gz SDIRVXMSNPWAPQ-ZIAGYGMSSA-N 0 1 267.413 3.395 20 30 CGEDMN C#CC1CCN(CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 ZINC001307869508 933011911 /nfs/dbraw/zinc/01/19/11/933011911.db2.gz LACNROALPMRMGO-UHFFFAOYSA-N 0 1 298.430 3.268 20 30 CGEDMN N#Cc1cccc(CN2CCCC[C@H]2[C@@H]2CCCO2)c1F ZINC001308160302 933061581 /nfs/dbraw/zinc/06/15/81/933061581.db2.gz NLFVTNCLTOKIPZ-HOTGVXAUSA-N 0 1 288.366 3.231 20 30 CGEDMN C[C@H]1CCC[C@H](CN2CC(Oc3ccc(C#N)cc3)C2)C1 ZINC001308809418 933181760 /nfs/dbraw/zinc/18/17/60/933181760.db2.gz KWTCWEIVNSXHJQ-HOCLYGCPSA-N 0 1 284.403 3.448 20 30 CGEDMN C=CCN1CCC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001316953461 933501792 /nfs/dbraw/zinc/50/17/92/933501792.db2.gz MCBLXKTYXQEXGV-HZPDHXFCSA-N 0 1 280.456 3.215 20 30 CGEDMN C=C(Cl)CN[C@@H](CNC(=O)[C@@H]1CCCC1(C)C)C1CC1 ZINC001317028139 933516958 /nfs/dbraw/zinc/51/69/58/933516958.db2.gz UYPBYWRGJZUWJG-KBPBESRZSA-N 0 1 298.858 3.050 20 30 CGEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CCC1 ZINC001317049950 933521026 /nfs/dbraw/zinc/52/10/26/933521026.db2.gz IJXAZWCXLRBPPP-IYBDPMFKSA-N 0 1 290.451 3.208 20 30 CGEDMN C=CC(C)(C)CC(=O)NC[C@H](C)NCc1ccccc1F ZINC001317242355 933562786 /nfs/dbraw/zinc/56/27/86/933562786.db2.gz RAYXEVZAYNASRA-ZDUSSCGKSA-N 0 1 292.398 3.022 20 30 CGEDMN C=C(Cl)CNCCN(C)C(=O)C(C)(C)C1CCCC1 ZINC001317595595 933623866 /nfs/dbraw/zinc/62/38/66/933623866.db2.gz ZUECYFWSVFUNPW-UHFFFAOYSA-N 0 1 286.847 3.003 20 30 CGEDMN C=CCN1CC[C@H](N(CCC)C(=O)C(C)=C2CCCC2)C1 ZINC001317753220 933641500 /nfs/dbraw/zinc/64/15/00/933641500.db2.gz CFYHUDIOYSOBNP-KRWDZBQOSA-N 0 1 290.451 3.376 20 30 CGEDMN C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001317833510 933656349 /nfs/dbraw/zinc/65/63/49/933656349.db2.gz SCSGVVCBAUDGDK-OAHLLOKOSA-N 0 1 298.858 3.266 20 30 CGEDMN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001317833510 933656353 /nfs/dbraw/zinc/65/63/53/933656353.db2.gz SCSGVVCBAUDGDK-OAHLLOKOSA-N 0 1 298.858 3.266 20 30 CGEDMN C=C(Cl)CN(C)CC1CCN(C(=O)C2CCCC2)CC1 ZINC001317865149 933661565 /nfs/dbraw/zinc/66/15/65/933661565.db2.gz AOWUTRVOBLDPPK-UHFFFAOYSA-N 0 1 298.858 3.100 20 30 CGEDMN C=CCN1CCC[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001317970922 933669623 /nfs/dbraw/zinc/66/96/23/933669623.db2.gz QMKFVAFGWFVLRJ-HOTGVXAUSA-N 0 1 280.456 3.360 20 30 CGEDMN 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30 CGEDMN C=C(C)CONC(=O)[C@@H](c1ccc(F)cc1)C(C)C ZINC000846536604 636195327 /nfs/dbraw/zinc/19/53/27/636195327.db2.gz SCBYKNYITHBWLW-CQSZACIVSA-N 0 1 265.328 3.189 20 30 CGEDMN C[C@H](C#N)OCCN1CCC(=Cc2cccc(F)c2)CC1 ZINC000846828909 636252918 /nfs/dbraw/zinc/25/29/18/636252918.db2.gz BDLLXVFFSQUIIT-CQSZACIVSA-N 0 1 288.366 3.234 20 30 CGEDMN C#C[C@H]1CCCN(Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000847024208 636315295 /nfs/dbraw/zinc/31/52/95/636315295.db2.gz PXIWEZRTFOAWKP-ZDUSSCGKSA-N 0 1 284.334 3.326 20 30 CGEDMN C#C[C@H]1CCCN(Cc2cnn(-c3ccccc3C)c2)C1 ZINC000848923603 636693910 /nfs/dbraw/zinc/69/39/10/636693910.db2.gz GVQLNQNTDZQLNH-INIZCTEOSA-N 0 1 279.387 3.026 20 30 CGEDMN N#Cc1cccc(COC(=O)c2ccc(O)c(Cl)c2)c1 ZINC000848949698 636701432 /nfs/dbraw/zinc/70/14/32/636701432.db2.gz CTASNLSVVPDZOB-UHFFFAOYSA-N 0 1 287.702 3.274 20 30 CGEDMN CC(C)(C)O[C@@H]1C[C@H](NC[C@H](C#N)CCC#N)C12CCC2 ZINC000849323802 636810177 /nfs/dbraw/zinc/81/01/77/636810177.db2.gz AOCJPKOOIUEIFG-SOUVJXGZSA-N 0 1 289.423 3.146 20 30 CGEDMN COc1cc(C)cc(C=NNc2ncccc2C)c1OC ZINC000884454514 637029670 /nfs/dbraw/zinc/02/96/70/637029670.db2.gz QCKUGDSDXNVFNI-UHFFFAOYSA-N 0 1 285.347 3.162 20 30 CGEDMN CC(C)(O)c1ccc(CNCC2(C#N)CCCCC2)cc1 ZINC000850391500 637045470 /nfs/dbraw/zinc/04/54/70/637045470.db2.gz SEWZVGMANGVGAM-UHFFFAOYSA-N 0 1 286.419 3.478 20 30 CGEDMN C=CCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850531737 637108749 /nfs/dbraw/zinc/10/87/49/637108749.db2.gz NDQGKVYXXXGRAU-NSHDSACASA-N 0 1 269.772 3.289 20 30 CGEDMN CC(C)NC(=O)C(C#N)C(=O)C1CC(C)(C)CC(C)(C)C1 ZINC000850761354 637146977 /nfs/dbraw/zinc/14/69/77/637146977.db2.gz LBGOOEBZRRCTGO-ZDUSSCGKSA-N 0 1 292.423 3.072 20 30 CGEDMN C=CCCC[C@@H](C(=O)OCc1n[nH]c(C)n1)c1ccccc1 ZINC000885084780 637168443 /nfs/dbraw/zinc/16/84/43/637168443.db2.gz DSIUVNHGWPIIPO-OAHLLOKOSA-N 0 1 299.374 3.296 20 30 CGEDMN C#CC[C@H]1CCN(CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000886359833 637512514 /nfs/dbraw/zinc/51/25/14/637512514.db2.gz KQGWCIRUEMRWDL-HNNXBMFYSA-N 0 1 292.382 3.124 20 30 CGEDMN C#CC[C@H]1CCN(Cc2sc(C)nc2C(F)(F)F)C1 ZINC000886364033 637514663 /nfs/dbraw/zinc/51/46/63/637514663.db2.gz MSGULZIGBJASQP-JTQLQIEISA-N 0 1 288.338 3.316 20 30 CGEDMN C#CC[C@H]1CCN(Cc2noc3c2CC(C)(C)CC3)C1 ZINC000886365381 637516320 /nfs/dbraw/zinc/51/63/20/637516320.db2.gz HFYUWXNZCLLBRY-ZDUSSCGKSA-N 0 1 272.392 3.035 20 30 CGEDMN C#CCOCCN1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000851855747 637524177 /nfs/dbraw/zinc/52/41/77/637524177.db2.gz VRBZOJOYTRCYLU-OAHLLOKOSA-N 0 1 284.359 3.005 20 30 CGEDMN C[C@H](N[C@@H]1CCc2cccnc21)c1cccc(C#N)c1 ZINC000886534136 637558063 /nfs/dbraw/zinc/55/80/63/637558063.db2.gz BKLVUYBNBNZPKZ-BLLLJJGKSA-N 0 1 263.344 3.291 20 30 CGEDMN CSc1ccc(CN[C@@H](C)c2c[nH]nc2C)cc1C#N ZINC000886688564 637654942 /nfs/dbraw/zinc/65/49/42/637654942.db2.gz VMJPCPRAZAIMMW-JTQLQIEISA-N 0 1 286.404 3.163 20 30 CGEDMN C=CCC1(O)CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000886757592 637677678 /nfs/dbraw/zinc/67/76/78/637677678.db2.gz LTWRJPWBKFKQEM-CYBMUJFWSA-N 0 1 290.363 3.059 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)oc2cc([O-])ccc12 ZINC000852686362 637695966 /nfs/dbraw/zinc/69/59/66/637695966.db2.gz SEJIGWRKNUPMFS-OKILXGFUSA-N 0 1 297.354 3.182 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc([O-])ccc12 ZINC000852686362 637695970 /nfs/dbraw/zinc/69/59/70/637695970.db2.gz SEJIGWRKNUPMFS-OKILXGFUSA-N 0 1 297.354 3.182 20 30 CGEDMN C=C(Cl)CNC1(c2cccc(OC)c2)CCC1 ZINC000852694244 637696746 /nfs/dbraw/zinc/69/67/46/637696746.db2.gz RERGFCGYTHOWPY-UHFFFAOYSA-N 0 1 251.757 3.417 20 30 CGEDMN N#Cc1cccc(-c2nnc(CNC3(C4CC4)CCC3)o2)c1 ZINC000887146179 637762720 /nfs/dbraw/zinc/76/27/20/637762720.db2.gz JNARWNXSPWEBNP-UHFFFAOYSA-N 0 1 294.358 3.031 20 30 CGEDMN C[C@@H]1CCCCN1N=Cc1cc(-c2ccccc2)[nH]n1 ZINC000853380247 637829839 /nfs/dbraw/zinc/82/98/39/637829839.db2.gz RLNXAHHXHPUFDN-CYBMUJFWSA-N 0 1 268.364 3.285 20 30 CGEDMN C#C[C@@H](NCc1ccccc1Br)C(C)C ZINC000301016762 637856994 /nfs/dbraw/zinc/85/69/94/637856994.db2.gz ZTNMKMHBIOGWTO-CYBMUJFWSA-N 0 1 266.182 3.197 20 30 CGEDMN C=CCCCCC[N@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853499320 637857072 /nfs/dbraw/zinc/85/70/72/637857072.db2.gz VGDQCRSIMHPCPO-HNNXBMFYSA-N 0 1 266.429 3.127 20 30 CGEDMN C=CCCCCCN(C)CN1CC[C@@H](C(C)C)C1=O ZINC000853499320 637857075 /nfs/dbraw/zinc/85/70/75/637857075.db2.gz VGDQCRSIMHPCPO-HNNXBMFYSA-N 0 1 266.429 3.127 20 30 CGEDMN CC[C@@H](C#N)Oc1cccc(CNCc2c(C)noc2C)c1 ZINC000113961057 638314200 /nfs/dbraw/zinc/31/42/00/638314200.db2.gz JKRRLQZVSPULRD-HNNXBMFYSA-N 0 1 299.374 3.262 20 30 CGEDMN C=CC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccncc1 ZINC000857854145 638578438 /nfs/dbraw/zinc/57/84/38/638578438.db2.gz CRQZOBLOLJXERK-CABCVRRESA-N 0 1 268.364 3.089 20 30 CGEDMN C=CCOCCN[C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926116975 638711927 /nfs/dbraw/zinc/71/19/27/638711927.db2.gz UATIZSJHNSZBEB-ZDUSSCGKSA-N 0 1 272.348 3.195 20 30 CGEDMN C[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccns1 ZINC000926317943 638762583 /nfs/dbraw/zinc/76/25/83/638762583.db2.gz SDLJOQWITKPNEJ-YGRLFVJLSA-N 0 1 269.373 3.353 20 30 CGEDMN CC[C@H](NCc1cc(C2CC2)nn1C)c1cccc(C#N)c1 ZINC000927102162 638842365 /nfs/dbraw/zinc/84/23/65/638842365.db2.gz WNGFBEDYWHXINM-KRWDZBQOSA-N 0 1 294.402 3.410 20 30 CGEDMN C#CCN1CCC(NC(=O)[C@@H](CC)CCCCCC)CC1 ZINC000928655807 638887943 /nfs/dbraw/zinc/88/79/43/638887943.db2.gz ZJSYULGXGWYKQM-INIZCTEOSA-N 0 1 292.467 3.197 20 30 CGEDMN C=CCN(C/C=C(/C)COC)Cc1cccs1 ZINC000929141163 638902463 /nfs/dbraw/zinc/90/24/63/638902463.db2.gz MZRWIYVNSSIGQU-QPEQYQDCSA-N 0 1 251.395 3.329 20 30 CGEDMN CN(Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCCCO1 ZINC000929330832 638919024 /nfs/dbraw/zinc/91/90/24/638919024.db2.gz PCEAGFCMVXQTHT-HNNXBMFYSA-N 0 1 278.783 3.213 20 30 CGEDMN C#CC[C@@H](NC[C@](O)(CC)C(F)(F)F)c1ccccc1 ZINC000930221906 638984074 /nfs/dbraw/zinc/98/40/74/638984074.db2.gz VBLKXPASWHEBAM-ZIAGYGMSSA-N 0 1 285.309 3.044 20 30 CGEDMN Cc1cn(C)nc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000930569557 639028256 /nfs/dbraw/zinc/02/82/56/639028256.db2.gz NOELZGMCZVASLA-INIZCTEOSA-N 0 1 282.391 3.253 20 30 CGEDMN N#CC1(CCCCN2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000930812016 639070282 /nfs/dbraw/zinc/07/02/82/639070282.db2.gz GFVWBRDKERXSBR-INIZCTEOSA-N 0 1 294.464 3.058 20 30 CGEDMN C[C@H](CC#N)NC[C@H]1CCC2(CCCCCC2)O1 ZINC000930868774 639080823 /nfs/dbraw/zinc/08/08/23/639080823.db2.gz UKLKHJHGYBRYDK-ZIAGYGMSSA-N 0 1 250.386 3.150 20 30 CGEDMN C#CCCCCCCN1CCC[C@H]1c1ncccn1 ZINC000931054952 639103641 /nfs/dbraw/zinc/10/36/41/639103641.db2.gz RGIOSUBXOQFOGN-HNNXBMFYSA-N 0 1 257.381 3.197 20 30 CGEDMN C=CC[C@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000859444752 639141799 /nfs/dbraw/zinc/14/17/99/639141799.db2.gz ZCNUHVYLKDMFCL-LBPRGKRZSA-N 0 1 277.339 3.132 20 30 CGEDMN C=CC[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000859444752 639141802 /nfs/dbraw/zinc/14/18/02/639141802.db2.gz ZCNUHVYLKDMFCL-LBPRGKRZSA-N 0 1 277.339 3.132 20 30 CGEDMN CC[C@@H](C(=O)OCc1ccc(C)c(C#N)c1)N(CC)CC ZINC000859565934 639164691 /nfs/dbraw/zinc/16/46/91/639164691.db2.gz CEPAOMIMMTXPLG-INIZCTEOSA-N 0 1 288.391 3.030 20 30 CGEDMN N#Cc1ccccc1CN1CCC[C@@H](Cc2nccs2)C1 ZINC000932204876 639295547 /nfs/dbraw/zinc/29/55/47/639295547.db2.gz SQKHUYVXWHQWTH-AWEZNQCLSA-N 0 1 297.427 3.469 20 30 CGEDMN C#CCN(Cc1cnc(-c2ccccc2)nc1)C(C)(C)C ZINC000932462411 639337777 /nfs/dbraw/zinc/33/77/77/639337777.db2.gz YNQGCCPJFYSBMB-UHFFFAOYSA-N 0 1 279.387 3.377 20 30 CGEDMN CCO[C@H](C(=O)C(C#N)c1nc(C(C)C)cs1)C1CC1 ZINC000860580651 639376175 /nfs/dbraw/zinc/37/61/75/639376175.db2.gz DGCYOECJZCBTLC-FZMZJTMJSA-N 0 1 292.404 3.258 20 30 CGEDMN CCCCCCCCNC1(c2ncccn2)CCOCC1 ZINC000933339393 639438697 /nfs/dbraw/zinc/43/86/97/639438697.db2.gz BLVTUSKLOIOTOQ-UHFFFAOYSA-N 0 1 291.439 3.432 20 30 CGEDMN CCCCC1(NCc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000934207798 639558909 /nfs/dbraw/zinc/55/89/09/639558909.db2.gz XDMTYYOOUZXCKM-UHFFFAOYSA-N 0 1 296.374 3.421 20 30 CGEDMN CCCCCCCCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000246981076 640704557 /nfs/dbraw/zinc/70/45/57/640704557.db2.gz LVHDJHOYKYNIIA-KBPBESRZSA-N 0 1 277.474 3.100 20 30 CGEDMN C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000305072307 640877967 /nfs/dbraw/zinc/87/79/67/640877967.db2.gz PELMYGSQEIHYAC-IBGZPJMESA-N 0 1 292.382 3.280 20 30 CGEDMN Fc1ccccc1C=Nn1c(=S)[nH]nc1-c1ccco1 ZINC000254518154 640912894 /nfs/dbraw/zinc/91/28/94/640912894.db2.gz XTIYWPQEXWUTSI-UHFFFAOYSA-N 0 1 288.307 3.222 20 30 CGEDMN C=C(C)CN1CCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001008499193 640952064 /nfs/dbraw/zinc/95/20/64/640952064.db2.gz JEXDCWWMBGDVFX-KBPBESRZSA-N 0 1 292.448 3.008 20 30 CGEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001008496411 640952485 /nfs/dbraw/zinc/95/24/85/640952485.db2.gz CXSASJNQNKNTCZ-UKRRQHHQSA-N 0 1 292.448 3.008 20 30 CGEDMN C=CCN1CCC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001008917302 640954515 /nfs/dbraw/zinc/95/45/15/640954515.db2.gz ZNVGKKGSNFQEEA-CYBMUJFWSA-N 0 1 292.810 3.029 20 30 CGEDMN C=C(C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001017314871 641011956 /nfs/dbraw/zinc/01/19/56/641011956.db2.gz JROIZFPCGGTJHR-OKILXGFUSA-N 0 1 290.432 3.003 20 30 CGEDMN C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001017821645 641017030 /nfs/dbraw/zinc/01/70/30/641017030.db2.gz DPRDIJGBNSBWKU-VVLHAWIVSA-N 0 1 290.451 3.064 20 30 CGEDMN C=CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001018288558 641021248 /nfs/dbraw/zinc/02/12/48/641021248.db2.gz IQYUDOARQSABQK-GASCZTMLSA-N 0 1 278.440 3.064 20 30 CGEDMN N#Cc1c(F)cc(F)cc1Nc1ccc2cncn2c1 ZINC001250334801 805580517 /nfs/dbraw/zinc/58/05/17/805580517.db2.gz DVWOLRBHCDFFQG-UHFFFAOYSA-N 0 1 270.242 3.228 20 30 CGEDMN C[C@]1(C#N)CCN(Cc2cc(O)c(Cl)c(F)c2F)C1 ZINC001250415093 805601767 /nfs/dbraw/zinc/60/17/67/805601767.db2.gz NZXVQSSFBWIDQO-CYBMUJFWSA-N 0 1 286.709 3.059 20 30 CGEDMN CC(=O)C=C(C)Nc1ncnc2ccc(Cl)cc21 ZINC001155887606 805620978 /nfs/dbraw/zinc/62/09/78/805620978.db2.gz PBYYLXOZABGMSH-YVMONPNESA-N 0 1 261.712 3.188 20 30 CGEDMN 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Cc1ccc2c(c1)C/C(=C/c1cc(O)ccc1[N+](=O)[O-])C2=O ZINC000772808704 627825145 /nfs/dbraw/zinc/82/51/45/627825145.db2.gz WCXYKRWZSFMREX-JYRVWZFOSA-N 0 1 295.294 3.431 20 30 CGEDMN Cc1cccnc1N=NC1CCCc2ccc([N+](=O)[O-])cc21 ZINC000773073172 627850686 /nfs/dbraw/zinc/85/06/86/627850686.db2.gz KEJZGJXXORIAMM-UHFFFAOYSA-N 0 1 296.330 3.451 20 30 CGEDMN CCc1cc(CNc2nc3ccccc3cc2C#N)n[nH]1 ZINC000774529784 628002437 /nfs/dbraw/zinc/00/24/37/628002437.db2.gz MDFZONAPGWGWTQ-UHFFFAOYSA-N 0 1 277.331 3.004 20 30 CGEDMN C#C[C@H](C)N(C)Cc1ccccc1OC1CCCC1 ZINC000775183578 628070721 /nfs/dbraw/zinc/07/07/21/628070721.db2.gz PGNXLBPQFMVNCT-AWEZNQCLSA-N 0 1 257.377 3.462 20 30 CGEDMN C#C[C@H](NC/C=C/c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000775340997 628083804 /nfs/dbraw/zinc/08/38/04/628083804.db2.gz JOCPFMNFSTXPBQ-TVKHYIBRSA-N 0 1 275.779 3.124 20 30 CGEDMN C#C[C@H](NCc1cc2cc(C)c(C)cc2o1)[C@H]1CCCO1 ZINC000775343331 628084451 /nfs/dbraw/zinc/08/44/51/628084451.db2.gz WDNHGXOUXOUGIP-DLBZAZTESA-N 0 1 283.371 3.320 20 30 CGEDMN C#C[C@H](N[C@@H](C)c1ccc(OC)c(Cl)c1)[C@@H]1CCCO1 ZINC000775571588 628108061 /nfs/dbraw/zinc/10/80/61/628108061.db2.gz IMBTXHKQZSSTQR-PJODQICGSA-N 0 1 293.794 3.180 20 30 CGEDMN C#C[C@H](N[C@@H](C)c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000775571484 628108233 /nfs/dbraw/zinc/10/82/33/628108233.db2.gz HUXIQQJJKPUUCZ-GARJFASQSA-N 0 1 269.797 3.233 20 30 CGEDMN C#C[C@H](N[C@@H](C)c1cc(C)c(F)c(C)c1)[C@@H]1CCCO1 ZINC000775572929 628109245 /nfs/dbraw/zinc/10/92/45/628109245.db2.gz DNOYBZDZDLYBPG-BPUTZDHNSA-N 0 1 275.367 3.274 20 30 CGEDMN C#C[C@H](N[C@@H]1CC(C)(C)Cc2occc21)[C@@H]1CCCO1 ZINC000775572240 628109256 /nfs/dbraw/zinc/10/92/56/628109256.db2.gz PTWYZUUGABQVQM-ZNMIVQPWSA-N 0 1 273.376 3.064 20 30 CGEDMN C#C[C@H](N[C@@H]1CCc2cc(Cl)ccc21)[C@H]1CCCO1 ZINC000775573027 628109519 /nfs/dbraw/zinc/10/95/19/628109519.db2.gz FQYYNXLIOYMMAD-ARFHVFGLSA-N 0 1 275.779 3.098 20 30 CGEDMN C#C[C@H](N[C@H](C)c1cc2cccc(OC)c2o1)[C@@H]1CCCO1 ZINC000775573871 628109797 /nfs/dbraw/zinc/10/97/97/628109797.db2.gz KMBFZMQVPMEZOU-SNPRPXQTSA-N 0 1 299.370 3.273 20 30 CGEDMN C#C[C@H](N[C@H](C)c1ccc(SC)cc1)[C@H]1CCCO1 ZINC000775575465 628110839 /nfs/dbraw/zinc/11/08/39/628110839.db2.gz XJJVTLRNEBZCOQ-UHOFOFEASA-N 0 1 275.417 3.240 20 30 CGEDMN C=C(C)CCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000775607437 628113140 /nfs/dbraw/zinc/11/31/40/628113140.db2.gz ZSMPAHTXQRVBPG-MRXNPFEDSA-N 0 1 273.376 3.160 20 30 CGEDMN C#CCCN1CCN([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000775643929 628118526 /nfs/dbraw/zinc/11/85/26/628118526.db2.gz YFZFBXJGCVDQDA-ZDUSSCGKSA-N 0 1 294.801 3.181 20 30 CGEDMN CC(C)(C#N)CCCCOC(=O)C(C)(C)N1CCCC1 ZINC000805615482 628373124 /nfs/dbraw/zinc/37/31/24/628373124.db2.gz DDECTYORXGVDHQ-UHFFFAOYSA-N 0 1 280.412 3.124 20 30 CGEDMN CCc1cccnc1C(C)=NNc1cnnc2ccccc21 ZINC000779773459 628428851 /nfs/dbraw/zinc/42/88/51/628428851.db2.gz XJBNEFOXAZJGEM-UHFFFAOYSA-N 0 1 291.358 3.423 20 30 CGEDMN Cc1cc(C(C#N)C(=O)C2C[C@@H](C)C[C@H](C)C2)nc(C)n1 ZINC000780304347 628480944 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/nfs/dbraw/zinc/58/17/31/628581731.db2.gz VMMUWCAQAPOPBS-CYBMUJFWSA-N 0 1 284.334 3.084 20 30 CGEDMN Cc1ccc(-c2ccc(C(=O)NC3=NO[C@@H](C)C3)s2)o1 ZINC000782028463 628611368 /nfs/dbraw/zinc/61/13/68/628611368.db2.gz KDRSKKZBMOBMJO-VIFPVBQESA-N 0 1 290.344 3.169 20 30 CGEDMN O=C(/C=C\c1scnc1C1CC1)c1ccc(O)cc1O ZINC000782343512 628640867 /nfs/dbraw/zinc/64/08/67/628640867.db2.gz WIEAGXGITCMELC-WAYWQWQTSA-N 0 1 287.340 3.328 20 30 CGEDMN C=C(C)CN1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782567505 628654385 /nfs/dbraw/zinc/65/43/85/628654385.db2.gz PWHACEIEMDNLON-OKILXGFUSA-N 0 1 280.412 3.036 20 30 CGEDMN CC(C)(C)CCN=NC1CCN(CCC(F)(F)F)CC1 ZINC000782907067 628666833 /nfs/dbraw/zinc/66/68/33/628666833.db2.gz ITCCYIMDENOWOI-UHFFFAOYSA-N 0 1 293.377 3.416 20 30 CGEDMN Cc1ccc2c(c1)[C@@H](NCc1ccc(C#N)cn1)[C@H](C)C2 ZINC000783292867 628699260 /nfs/dbraw/zinc/69/92/60/628699260.db2.gz CSKDPQDFCHNVFE-ACJLOTCBSA-N 0 1 277.371 3.285 20 30 CGEDMN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)cn1 ZINC000783294746 628700303 /nfs/dbraw/zinc/70/03/03/628700303.db2.gz VLRFEWDYJJAWKE-FZKQIMNGSA-N 0 1 277.371 3.366 20 30 CGEDMN C[C@@H](NCc1ccc(C#N)cn1)c1cc2c(s1)CCC2 ZINC000783300714 628701339 /nfs/dbraw/zinc/70/13/39/628701339.db2.gz QBIHKUODNJVXIV-LLVKDONJSA-N 0 1 283.400 3.354 20 30 CGEDMN N#Cc1ccc(CN[C@@H]2CCc3cc(Cl)ccc32)nc1 ZINC000783300859 628701386 /nfs/dbraw/zinc/70/13/86/628701386.db2.gz RFPWQRDBMTYEGS-MRXNPFEDSA-N 0 1 283.762 3.384 20 30 CGEDMN CC(C)CN(CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000805744037 628702826 /nfs/dbraw/zinc/70/28/26/628702826.db2.gz RIKWXUCOOQKQIB-INIZCTEOSA-N 0 1 294.826 3.115 20 30 CGEDMN C[C@@H](C(=O)OCCCC(C)(C)C#N)N1[C@H](C)CC[C@H]1C ZINC000783779321 628747753 /nfs/dbraw/zinc/74/77/53/628747753.db2.gz TUUBAFAZSUCLSA-MCIONIFRSA-N 0 1 280.412 3.121 20 30 CGEDMN CC(C)[C@H](C(=O)OCCCC(C)(C)C#N)N1CCCCC1 ZINC000783775273 628747820 /nfs/dbraw/zinc/74/78/20/628747820.db2.gz COSHEHFFHWDTND-OAHLLOKOSA-N 0 1 294.439 3.370 20 30 CGEDMN Cc1nn(-c2ccncc2)cc1C=NOCc1ccccc1 ZINC000783822845 628749478 /nfs/dbraw/zinc/74/94/78/628749478.db2.gz WXJWWKLOIHTIFI-UHFFFAOYSA-N 0 1 292.342 3.126 20 30 CGEDMN CCCNN=C(C)c1cc(Br)cc(F)c1O ZINC000783826240 628749705 /nfs/dbraw/zinc/74/97/05/628749705.db2.gz JQQHAMGAEBJEEK-UHFFFAOYSA-N 0 1 289.148 3.017 20 30 CGEDMN CN(Cc1ccc(CC#N)cc1)Cc1ccc(Cl)nc1 ZINC000784158854 628788936 /nfs/dbraw/zinc/78/89/36/628788936.db2.gz DKUSAEAFLVHPSX-UHFFFAOYSA-N 0 1 285.778 3.433 20 30 CGEDMN CCCCCCCCN1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000784356520 628808557 /nfs/dbraw/zinc/80/85/57/628808557.db2.gz PXKDPSACGBZERE-HZPDHXFCSA-N 0 1 281.440 3.417 20 30 CGEDMN N#Cc1ccccc1COC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786877080 628968442 /nfs/dbraw/zinc/96/84/42/628968442.db2.gz CPGBXCBQDXVCDW-KRWDZBQOSA-N 0 1 298.386 3.008 20 30 CGEDMN Cc1cccnc1NN=Cc1ncc(C(F)(F)F)s1 ZINC000788440911 629052454 /nfs/dbraw/zinc/05/24/54/629052454.db2.gz KVHVPBAMXJEVLZ-UHFFFAOYSA-N 0 1 286.282 3.311 20 30 CGEDMN Cc1ccc[nH+]c1[N-]N=Cc1ncc(C(F)(F)F)s1 ZINC000788440911 629052455 /nfs/dbraw/zinc/05/24/55/629052455.db2.gz KVHVPBAMXJEVLZ-UHFFFAOYSA-N 0 1 286.282 3.311 20 30 CGEDMN C=CCSCCN[C@@H]1COCc2cccc(Cl)c21 ZINC000788733316 629077231 /nfs/dbraw/zinc/07/72/31/629077231.db2.gz HROSVXIIKQEUAJ-CYBMUJFWSA-N 0 1 283.824 3.420 20 30 CGEDMN CC(=NNc1ccccc1C(F)(F)F)c1ccc(=O)[nH]n1 ZINC000790141573 629186306 /nfs/dbraw/zinc/18/63/06/629186306.db2.gz OADAWYBIEVRNSX-UHFFFAOYSA-N 0 1 296.252 3.037 20 30 CGEDMN Cc1cccnc1NN=C1CCc2ccc(F)cc21 ZINC000790191817 629192500 /nfs/dbraw/zinc/19/25/00/629192500.db2.gz YRIWGWOWPZXYIT-UHFFFAOYSA-N 0 1 255.296 3.292 20 30 CGEDMN CCCn1nc(C)c(CN=Nc2ncccc2C)c1C ZINC000790193006 629192920 /nfs/dbraw/zinc/19/29/20/629192920.db2.gz NUGANOCUNXYXDG-UHFFFAOYSA-N 0 1 271.368 3.059 20 30 CGEDMN COc1ccc2cc(C(C)=NNc3nccn3C)ccc2c1 ZINC000790305904 629202743 /nfs/dbraw/zinc/20/27/43/629202743.db2.gz QEEMRENLLLWCRM-UHFFFAOYSA-N 0 1 294.358 3.418 20 30 CGEDMN N#CC(C(=O)C12CC(c3ccccc3)(C1)C2)c1ccccn1 ZINC000791770930 629301290 /nfs/dbraw/zinc/30/12/90/629301290.db2.gz FPEQMXOHTORJBS-MNNVXMFVSA-N 0 1 288.350 3.380 20 30 CGEDMN N#CC(=C(O)C=CC1CC1)c1nccc2ccccc21 ZINC000792094802 629336510 /nfs/dbraw/zinc/33/65/10/629336510.db2.gz GXLMPQSAVRWBAY-ZPIQOJFGSA-N 0 1 262.312 3.377 20 30 CGEDMN C#CC[C@H](NCC#Cc1ccccc1)c1ccccc1 ZINC000792271423 629353307 /nfs/dbraw/zinc/35/33/07/629353307.db2.gz JUCRWXBCTGPYEG-IBGZPJMESA-N 0 1 259.352 3.392 20 30 CGEDMN C#CC[C@H]1CCN(Cc2c(F)cccc2Cl)C1 ZINC000862442728 629375288 /nfs/dbraw/zinc/37/52/88/629375288.db2.gz GLDGGOSUFPVKHI-NSHDSACASA-N 0 1 251.732 3.324 20 30 CGEDMN C#CCCOc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000793214572 629428550 /nfs/dbraw/zinc/42/85/50/629428550.db2.gz PCUODEMOCRSNER-BEFAXECRSA-N 0 1 299.414 3.088 20 30 CGEDMN CC(=NNc1ccncc1C)c1c(C)nn(C(C)C)c1C ZINC000863157813 629484767 /nfs/dbraw/zinc/48/47/67/629484767.db2.gz UXDVYWVQQQDGGT-UHFFFAOYSA-N 0 1 285.395 3.042 20 30 CGEDMN Cc1nc(C)c(C(C)N=Nc2cccc(C)n2)s1 ZINC000863159575 629485890 /nfs/dbraw/zinc/48/58/90/629485890.db2.gz AEPYHVMDWAUMCS-UHFFFAOYSA-N 0 1 260.366 3.299 20 30 CGEDMN CC(=NNc1cccc(C)n1)c1sc(C)nc1C ZINC000863159575 629485894 /nfs/dbraw/zinc/48/58/94/629485894.db2.gz AEPYHVMDWAUMCS-UHFFFAOYSA-N 0 1 260.366 3.299 20 30 CGEDMN C#CCN(Cc1n[nH]c(C(C)C)n1)[C@@H]1CCc2ccccc21 ZINC000794292562 629531240 /nfs/dbraw/zinc/53/12/40/629531240.db2.gz ISGWVIGRNKCSHK-MRXNPFEDSA-N 0 1 294.402 3.051 20 30 CGEDMN Cc1cc(=O)nc(NN=C[C@H](c2ccccc2)C(C)C)[nH]1 ZINC000794449014 629543827 /nfs/dbraw/zinc/54/38/27/629543827.db2.gz SHDFKQMLTMEKNL-AWEZNQCLSA-N 0 1 284.363 3.328 20 30 CGEDMN C(=NNc1cncnc1)c1ccccc1OC1CCCC1 ZINC000794977004 629610610 /nfs/dbraw/zinc/61/06/10/629610610.db2.gz VZWKSQXKDQUZCA-UHFFFAOYSA-N 0 1 282.347 3.244 20 30 CGEDMN Fc1cccc(NN=Cc2ccc(Cl)s2)n1 ZINC000795007458 629621706 /nfs/dbraw/zinc/62/17/06/629621706.db2.gz GNXZSQZEFZBJFW-UHFFFAOYSA-N 0 1 255.705 3.382 20 30 CGEDMN CCCCCCCN1CCC[C@H]1c1nc(C)no1 ZINC000796696560 629815984 /nfs/dbraw/zinc/81/59/84/629815984.db2.gz SPNUOBRIUYLASY-ZDUSSCGKSA-N 0 1 251.374 3.485 20 30 CGEDMN CC[C@H]1CC[C@H](C)CC1=NNc1nc(=O)cc(C)[nH]1 ZINC000797398378 629940944 /nfs/dbraw/zinc/94/09/44/629940944.db2.gz RTTLXRRCYMAVFY-ONGXEEELSA-N 0 1 262.357 3.105 20 30 CGEDMN Cn1cccc1CN=Nc1ccc(C#N)cc1C(F)(F)F ZINC000799491636 630189982 /nfs/dbraw/zinc/18/99/82/630189982.db2.gz HKXATFNEYBNDFD-UHFFFAOYSA-N 0 1 292.264 3.362 20 30 CGEDMN Cc1cc(C(C#N)C(=O)[C@@H]2CCCC(F)(F)C2)nc(C)n1 ZINC000800384663 630270102 /nfs/dbraw/zinc/27/01/02/630270102.db2.gz HUCPTDMRWSUJSB-VXGBXAGGSA-N 0 1 293.317 3.095 20 30 CGEDMN CCCCCCCCCCN1CC[C@H](S(C)(=O)=O)C1 ZINC000800467972 630283116 /nfs/dbraw/zinc/28/31/16/630283116.db2.gz CDRFQSQRMPBPED-HNNXBMFYSA-N 0 1 289.485 3.246 20 30 CGEDMN C[C@@H](C#N)OCCN1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000801909282 630364358 /nfs/dbraw/zinc/36/43/58/630364358.db2.gz ABONTDZVOVVSTD-SWLSCSKDSA-N 0 1 278.783 3.406 20 30 CGEDMN CC[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)N(CC)CC ZINC000802223791 630385319 /nfs/dbraw/zinc/38/53/19/630385319.db2.gz XPTGHCOYZVGKMF-CABCVRRESA-N 0 1 280.412 3.122 20 30 CGEDMN FC(F)(F)c1cc(C=NN=c2[nH]c3ccccc3[nH]2)c[nH]1 ZINC000807946412 630608554 /nfs/dbraw/zinc/60/85/54/630608554.db2.gz UCDJQBMGOUHRKY-UHFFFAOYSA-N 0 1 293.252 3.356 20 30 CGEDMN C(=NN[C@H]1CCSC1)c1ccc(N2CCCCC2)s1 ZINC000808003183 630615689 /nfs/dbraw/zinc/61/56/89/630615689.db2.gz KJTDCLOFQHUBEV-LBPRGKRZSA-N 0 1 295.477 3.167 20 30 CGEDMN C#C[C@H](C)NCc1cc(Cl)c(OCCC)c(OC)c1 ZINC000809683581 630779285 /nfs/dbraw/zinc/77/92/85/630779285.db2.gz FPWZUXVFTLYOIC-NSHDSACASA-N 0 1 281.783 3.249 20 30 CGEDMN C#C[C@@H](CC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000809685752 630781964 /nfs/dbraw/zinc/78/19/64/630781964.db2.gz PAIRLRJNBNHAQW-ZDUSSCGKSA-N 0 1 284.315 3.356 20 30 CGEDMN CCCCCCCNC(C)(C)c1cc(C(=O)OC)on1 ZINC000810049899 630834975 /nfs/dbraw/zinc/83/49/75/630834975.db2.gz FNIORHXFMJYASQ-UHFFFAOYSA-N 0 1 282.384 3.256 20 30 CGEDMN Cc1ccc(CCC(=O)C(C#N)c2cc(C)nc(C)n2)s1 ZINC000810527230 630885746 /nfs/dbraw/zinc/88/57/46/630885746.db2.gz GWKMYZSLVOSIMD-CQSZACIVSA-N 0 1 299.399 3.272 20 30 CGEDMN N#CC(C(=O)Nc1ccccc1)C(=O)C1(F)CCCCC1 ZINC000810530066 630886714 /nfs/dbraw/zinc/88/67/14/630886714.db2.gz UPEBYXHVJXZZGV-CYBMUJFWSA-N 0 1 288.322 3.006 20 30 CGEDMN CC(C)(C)N1CC[C@@](F)(C(=O)OCC(C)(C)CCC#N)C1 ZINC000810825089 630952670 /nfs/dbraw/zinc/95/26/70/630952670.db2.gz JNYDHEMWMWNOCR-INIZCTEOSA-N 0 1 298.402 3.072 20 30 CGEDMN C=CC[C@H](C)N(C)Cc1nc(-c2cccs2)no1 ZINC000878599156 635565238 /nfs/dbraw/zinc/56/52/38/635565238.db2.gz UZPDFVOJQOZPCZ-JTQLQIEISA-N 0 1 263.366 3.195 20 30 CGEDMN N#CCC1(CNCc2ccnc(Cl)c2Cl)CC1 ZINC000811501341 631075910 /nfs/dbraw/zinc/07/59/10/631075910.db2.gz JKYKRDVVVCYTQI-UHFFFAOYSA-N 0 1 270.163 3.172 20 30 CGEDMN C#CCCCCC(=O)Nc1cc(C(=O)CC)ccc1O ZINC000812709506 631297295 /nfs/dbraw/zinc/29/72/95/631297295.db2.gz WVBKTOIFQXLBMN-UHFFFAOYSA-N 0 1 273.332 3.117 20 30 CGEDMN CN(C)c1ccc(C#N)cc1CN1CCC[C@H]1c1ccc[nH]1 ZINC000876513858 634849899 /nfs/dbraw/zinc/84/98/99/634849899.db2.gz QKELQWASVDSIKA-SFHVURJKSA-N 0 1 294.402 3.289 20 30 CGEDMN N#CC(C(=O)[C@@H]1CC12CCC2)c1cc(C(F)(F)F)ccn1 ZINC000813211686 631389046 /nfs/dbraw/zinc/38/90/46/631389046.db2.gz OMLNGCYVJGTJMI-MNOVXSKESA-N 0 1 294.276 3.467 20 30 CGEDMN Cc1ccc2c(C)cc(=NN=Cc3cncnc3)[nH]c2c1C ZINC000814769985 631636910 /nfs/dbraw/zinc/63/69/10/631636910.db2.gz YUMHXFSWZFCUJO-UHFFFAOYSA-N 0 1 291.358 3.396 20 30 CGEDMN Cc1ccc(N=NC2CCCc3ccc(N)cc32)nc1 ZINC000814831932 631650978 /nfs/dbraw/zinc/65/09/78/631650978.db2.gz XXFPPJXYZFLEDD-UHFFFAOYSA-N 0 1 266.348 3.125 20 30 CGEDMN Fc1ccc(N=NC2COc3c2cccc3Cl)nc1 ZINC000814842931 631653884 /nfs/dbraw/zinc/65/38/84/631653884.db2.gz VJYJEJKDJKAMKM-UHFFFAOYSA-N 0 1 277.686 3.083 20 30 CGEDMN CCC(=NNCCc1ccc(OC)cc1)c1cccc(N)c1 ZINC000814854886 631656329 /nfs/dbraw/zinc/65/63/29/631656329.db2.gz BVFZAPCYZYLETI-UHFFFAOYSA-N 0 1 297.402 3.224 20 30 CGEDMN CCCC(N=Nc1ccccc1C(=O)OC)c1cccnc1 ZINC000814894785 631668912 /nfs/dbraw/zinc/66/89/12/631668912.db2.gz RHUNGCUCMJZGIX-UHFFFAOYSA-N 0 1 297.358 3.485 20 30 CGEDMN CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(Cl)c(N)c1 ZINC000814909107 631677281 /nfs/dbraw/zinc/67/72/81/631677281.db2.gz WRUYOWCETCOWDN-LBPRGKRZSA-N 0 1 295.814 3.193 20 30 CGEDMN CCCn1cc(CN=Nc2ccc(F)c(F)c2F)cn1 ZINC000814945180 631694742 /nfs/dbraw/zinc/69/47/42/631694742.db2.gz PITROPJQYPANPA-UHFFFAOYSA-N 0 1 282.269 3.156 20 30 CGEDMN Fc1ccc(N=NC2COCc3ccccc32)c(F)c1F ZINC000814946052 631695643 /nfs/dbraw/zinc/69/56/43/631695643.db2.gz DAWABSALXKWPKH-UHFFFAOYSA-N 0 1 292.260 3.450 20 30 CGEDMN C=C(Cl)CN[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000815594457 631802352 /nfs/dbraw/zinc/80/23/52/631802352.db2.gz PAWKXJCTRSWHMF-ZDUSSCGKSA-N 0 1 267.756 3.266 20 30 CGEDMN C=CCC(F)(F)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000816661219 632040763 /nfs/dbraw/zinc/04/07/63/632040763.db2.gz GEOZNLYVQGWEOR-UHFFFAOYSA-N 0 1 279.645 3.335 20 30 CGEDMN Cc1cc(F)c(CN[C@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000818204570 632297542 /nfs/dbraw/zinc/29/75/42/632297542.db2.gz WMSBWPLPTMQUKW-QWRGUYRKSA-N 0 1 250.292 3.055 20 30 CGEDMN C[C@H](C#N)CN(CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000822780802 633021155 /nfs/dbraw/zinc/02/11/55/633021155.db2.gz VISXORKKNUICMW-ZJUUUORDSA-N 0 1 261.196 3.194 20 30 CGEDMN CCCCCc1cc(C(=O)N(CCC#N)CC(C)C)n[nH]1 ZINC000824228445 633214145 /nfs/dbraw/zinc/21/41/45/633214145.db2.gz OXNRRCAKBAFXJB-UHFFFAOYSA-N 0 1 290.411 3.154 20 30 CGEDMN C#C[C@H](NCc1cnn(-c2ccc(OC)cc2)c1)C(C)(C)C ZINC000824403691 633242335 /nfs/dbraw/zinc/24/23/35/633242335.db2.gz YSCCZVSLKGYKIA-KRWDZBQOSA-N 0 1 297.402 3.018 20 30 CGEDMN C#Cc1cccc(CNCc2c(C)nn(CCC)c2C)c1 ZINC000825227635 633337459 /nfs/dbraw/zinc/33/74/59/633337459.db2.gz VYDFJTORHYSZAC-UHFFFAOYSA-N 0 1 281.403 3.181 20 30 CGEDMN Cc1cc([O-])c(C[NH2+]CC2(CC#N)CC2)cc1Cl ZINC000825753319 633380689 /nfs/dbraw/zinc/38/06/89/633380689.db2.gz PTLPSLNEBWGELQ-UHFFFAOYSA-N 0 1 264.756 3.138 20 30 CGEDMN C#CC[C@@H](Nc1nc(N)nc2c1CCCC2)c1ccccc1 ZINC000825876398 633385424 /nfs/dbraw/zinc/38/54/24/633385424.db2.gz GYZXRJPYGYOEBK-OAHLLOKOSA-N 0 1 292.386 3.114 20 30 CGEDMN C#C[C@H](N[C@@H](C)CSCCF)c1ccc(F)cc1 ZINC000825955077 633391885 /nfs/dbraw/zinc/39/18/85/633391885.db2.gz FQDWZXPCNNWVQK-FZMZJTMJSA-N 0 1 269.360 3.181 20 30 CGEDMN CCCCCCC[C@@H](C)NCc1nc(C(N)=O)cs1 ZINC000827328830 633482588 /nfs/dbraw/zinc/48/25/88/633482588.db2.gz UYHILPUSVBSXMQ-LLVKDONJSA-N 0 1 283.441 3.081 20 30 CGEDMN CCO[C@H](C(=O)C(C#N)c1nc(C)cs1)C1CCCC1 ZINC000870117556 633532740 /nfs/dbraw/zinc/53/27/40/633532740.db2.gz MVSKODXIEXOHRP-OCCSQVGLSA-N 0 1 292.404 3.223 20 30 CGEDMN C=CCC1(COC(=O)[C@@H](CC)N(CC)CC)CCOCC1 ZINC000870809976 633656215 /nfs/dbraw/zinc/65/62/15/633656215.db2.gz CWAPEZQGBSGWAZ-OAHLLOKOSA-N 0 1 297.439 3.023 20 30 CGEDMN CC[C@@H](C)[C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073209 633693593 /nfs/dbraw/zinc/69/35/93/633693593.db2.gz TUJRGLNRIYRTCQ-ZJUUUORDSA-N 0 1 270.336 3.055 20 30 CGEDMN N#Cc1ccc2nc(NC(=O)C[C@@H]3C=CCCC3)[nH]c2c1 ZINC000871072085 633694853 /nfs/dbraw/zinc/69/48/53/633694853.db2.gz HSLOMIDEXWECOG-LLVKDONJSA-N 0 1 280.331 3.119 20 30 CGEDMN C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000829784389 633781952 /nfs/dbraw/zinc/78/19/52/633781952.db2.gz IWJYXGFFHQQXQJ-CYBMUJFWSA-N 0 1 290.794 3.014 20 30 CGEDMN C#CC[C@@H]1CCCN(Cc2ccn(-c3ccccc3)n2)C1 ZINC000829779468 633782861 /nfs/dbraw/zinc/78/28/61/633782861.db2.gz VQFBLJIILZGEKN-MRXNPFEDSA-N 0 1 279.387 3.108 20 30 CGEDMN C#CC[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000829784899 633784067 /nfs/dbraw/zinc/78/40/67/633784067.db2.gz NYJSVDDSHIQOEO-LBPRGKRZSA-N 0 1 292.766 3.484 20 30 CGEDMN C#CC[C@@H]1CCCN(Cc2nccn2Cc2ccccc2)C1 ZINC000829785037 633784343 /nfs/dbraw/zinc/78/43/43/633784343.db2.gz PTPDMLHLPZDTDU-QGZVFWFLSA-N 0 1 293.414 3.167 20 30 CGEDMN C#CC[C@H]1CCCN(Cc2nc3cc(F)ccc3n2CC)C1 ZINC000829805424 633789470 /nfs/dbraw/zinc/78/94/70/633789470.db2.gz SZHBCEVRXNTEBR-AWEZNQCLSA-N 0 1 299.393 3.431 20 30 CGEDMN CCCCCC[C@@H](C)n1[nH]c(C)c(CCC#N)c1=O ZINC000871959699 633928331 /nfs/dbraw/zinc/92/83/31/633928331.db2.gz OVWLLPRJLAZPNW-TZMCWYRMSA-N 0 1 263.385 3.483 20 30 CGEDMN CCCC(=NNc1ccncc1C)c1cc(C)ccn1 ZINC000872392649 634130670 /nfs/dbraw/zinc/13/06/70/634130670.db2.gz SQNUXKMHSAPNES-UHFFFAOYSA-N 0 1 268.364 3.132 20 30 CGEDMN CC(C)c1cc([C@@H]2CCCN(c3cccc(C#N)n3)C2)[nH]n1 ZINC000872648580 634182543 /nfs/dbraw/zinc/18/25/43/634182543.db2.gz NWELEUOGXRNLJW-CYBMUJFWSA-N 0 1 295.390 3.184 20 30 CGEDMN CN(Cc1cc2c(cc1O)CCCC2)[C@H]1CCC[C@H]1C#N ZINC000872684512 634186883 /nfs/dbraw/zinc/18/68/83/634186883.db2.gz OJHRENGNWAGHSR-RDJZCZTQSA-N 0 1 284.403 3.395 20 30 CGEDMN C[C@@](O)(CCNCc1cccc(F)c1C#N)c1ccccc1 ZINC000873110437 634247112 /nfs/dbraw/zinc/24/71/12/634247112.db2.gz OEXXWNFZDPGDKB-GOSISDBHSA-N 0 1 298.361 3.085 20 30 CGEDMN C#CCOc1ccc(CN[C@@H](C)c2c(C)onc2CC)cc1 ZINC000834887944 634268550 /nfs/dbraw/zinc/26/85/50/634268550.db2.gz AMIRBDPDUKPELQ-ZDUSSCGKSA-N 0 1 298.386 3.408 20 30 CGEDMN C=CCON=C(C)c1ccc([O-])c(C[NH+](CC)CC)c1 ZINC000835015274 634317970 /nfs/dbraw/zinc/31/79/70/634317970.db2.gz GXECYRINSPAYKF-UHFFFAOYSA-N 0 1 276.380 3.161 20 30 CGEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000835063417 634343344 /nfs/dbraw/zinc/34/33/44/634343344.db2.gz LFIQINLCNITSEC-BFJAYTPKSA-N 0 1 296.370 3.079 20 30 CGEDMN Cc1cccc(O)c1CN(CCC#N)CC(C)(C)C ZINC000876692130 634881984 /nfs/dbraw/zinc/88/19/84/634881984.db2.gz XPGROBHVFYTJLL-UHFFFAOYSA-N 0 1 260.381 3.462 20 30 CGEDMN CC[C@H]1CC[C@H](C)N1Cc1cc(C#N)cnc1Cl ZINC000877532662 635075479 /nfs/dbraw/zinc/07/54/79/635075479.db2.gz WKBNMPMOCDGEDK-GWCFXTLKSA-N 0 1 263.772 3.370 20 30 CGEDMN C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c([O-])cc(C)cc1Cl ZINC000840942528 635087937 /nfs/dbraw/zinc/08/79/37/635087937.db2.gz BHYPHWHMSBZKAE-WBMJQRKESA-N 0 1 295.810 3.425 20 30 CGEDMN C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCC2)O1 ZINC000877916473 635268084 /nfs/dbraw/zinc/26/80/84/635268084.db2.gz 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CCCCCCCC[C@@H](O)CNCc1ccn(CCF)n1 ZINC001252139750 806025587 /nfs/dbraw/zinc/02/55/87/806025587.db2.gz RIYVHBMVSBQJEF-MRXNPFEDSA-N 0 1 299.434 3.054 20 30 CGEDMN C=C[C@@](C)(O)CNCc1c(Cl)cccc1Cl ZINC001252539689 806059289 /nfs/dbraw/zinc/05/92/89/806059289.db2.gz XKEOELCLEUZOLB-GFCCVEGCSA-N 0 1 260.164 3.020 20 30 CGEDMN Cc1ccc(Nc2cc([C@H]3CCCCN3)no2)cc1C#N ZINC001159312700 806080571 /nfs/dbraw/zinc/08/05/71/806080571.db2.gz FYQSMLXPAAQWDL-CQSZACIVSA-N 0 1 282.347 3.413 20 30 CGEDMN C=CCC[C@@H](O)CNCc1c(Cl)ccc(C)c1F ZINC001252612099 806088344 /nfs/dbraw/zinc/08/83/44/806088344.db2.gz JEOOERCUVGBXCH-LLVKDONJSA-N 0 1 271.763 3.204 20 30 CGEDMN C=CCC[C@H](O)CNCc1c(F)cc(Cl)cc1F ZINC001252616512 806090250 /nfs/dbraw/zinc/09/02/50/806090250.db2.gz QDZJEYQGYCRTQD-JTQLQIEISA-N 0 1 275.726 3.035 20 30 CGEDMN C=CCCCCCC[C@@H](O)CNCC(=O)c1ccccc1 ZINC001253248623 806195388 /nfs/dbraw/zinc/19/53/88/806195388.db2.gz YTHLVHQAQYKXHR-QGZVFWFLSA-N 0 1 289.419 3.346 20 30 CGEDMN CCCCC[C@H](O)CN(CCC#N)C1CCCC1 ZINC001253533740 806237608 /nfs/dbraw/zinc/23/76/08/806237608.db2.gz UKNUOLGONNFCET-HNNXBMFYSA-N 0 1 252.402 3.086 20 30 CGEDMN C=C[C@H](O)CNc1ccc(N(CCC)CCC)cc1 ZINC001253589871 806266361 /nfs/dbraw/zinc/26/63/61/806266361.db2.gz JCKORPVBWOYUBV-INIZCTEOSA-N 0 1 262.397 3.272 20 30 CGEDMN C=CC(C)(C)C(=O)NCCC1=CCN(C[C@@H](F)CC)CC1 ZINC001160888388 806317235 /nfs/dbraw/zinc/31/72/35/806317235.db2.gz UTSLVORGPHTSHF-HNNXBMFYSA-N 0 1 296.430 3.085 20 30 CGEDMN CN(C)/C=C/c1ccncc1N[C@H](C#N)c1ccccc1 ZINC001161725178 806436269 /nfs/dbraw/zinc/43/62/69/806436269.db2.gz JKWRAOUVGRPLKB-PXUDHTSWSA-N 0 1 278.359 3.291 20 30 CGEDMN C[C@]1(C#N)CCN(C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254633633 806466065 /nfs/dbraw/zinc/46/60/65/806466065.db2.gz QCNWEDMHSBOTMO-QGZVFWFLSA-N 0 1 287.382 3.030 20 30 CGEDMN N#C[C@H]1CC[C@H](n2c(CN)nc3ccc(Cl)cc32)C1 ZINC001254637604 806467284 /nfs/dbraw/zinc/46/72/84/806467284.db2.gz SEXWDDFYWAGTNC-ONGXEEELSA-N 0 1 274.755 3.013 20 30 CGEDMN N#C[C@H]1CC[C@H](n2cncc2CNCc2ccccc2)C1 ZINC001254670293 806481541 /nfs/dbraw/zinc/48/15/41/806481541.db2.gz ALUMTOFGNGXXHY-HOTGVXAUSA-N 0 1 280.375 3.038 20 30 CGEDMN CC[C@H](CC#N)NCc1cccc2ccc(C)nc21 ZINC001255163126 806561461 /nfs/dbraw/zinc/56/14/61/806561461.db2.gz BYSAWKQTCJBSDC-OAHLLOKOSA-N 0 1 253.349 3.325 20 30 CGEDMN CC[C@H](CC#N)N1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001255178166 806570880 /nfs/dbraw/zinc/57/08/80/806570880.db2.gz BOLVBWZWOLYFPQ-FZKQIMNGSA-N 0 1 298.386 3.020 20 30 CGEDMN CC(C)C[C@](C)(C#N)Nc1ncccc1CN1CCCC1 ZINC001162519968 806606506 /nfs/dbraw/zinc/60/65/06/806606506.db2.gz PAJOZHNKJQYGDD-QGZVFWFLSA-N 0 1 286.423 3.418 20 30 CGEDMN N#Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000037748284 798873398 /nfs/dbraw/zinc/87/33/98/798873398.db2.gz NNUOXRMSUGANBU-UHFFFAOYSA-N 0 1 272.735 3.207 20 30 CGEDMN CC[C@@H](NCC(C)(C)C#N)c1ccc(OC)c(OC)c1 ZINC000122297133 798990180 /nfs/dbraw/zinc/99/01/80/798990180.db2.gz VIRSOOVMOKEEGT-CYBMUJFWSA-N 0 1 276.380 3.294 20 30 CGEDMN Cc1cccc(NC(=O)C(C#N)C(=O)C2CCCCC2)c1 ZINC000127465430 799013762 /nfs/dbraw/zinc/01/37/62/799013762.db2.gz XWVPUKLGMCZUHV-OAHLLOKOSA-N 0 1 284.359 3.223 20 30 CGEDMN N#CC(C(=O)CC1CCCCC1)C(=O)Nc1ccccc1 ZINC000127897217 799016599 /nfs/dbraw/zinc/01/65/99/799016599.db2.gz USDRQGHXJCCSPK-OAHLLOKOSA-N 0 1 284.359 3.304 20 30 CGEDMN CC[C@H](C)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130227892 799025640 /nfs/dbraw/zinc/02/56/40/799025640.db2.gz RXGMYDDYSQAOAI-WPRPVWTQSA-N 0 1 296.729 3.173 20 30 CGEDMN CC[C@H](CC(=O)Nc1cc(C#N)ccc1O)C(C)C ZINC000176398267 799095146 /nfs/dbraw/zinc/09/51/46/799095146.db2.gz LOVDQCPFMIZGFH-GFCCVEGCSA-N 0 1 260.337 3.275 20 30 CGEDMN C[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1cccc(F)c1 ZINC000176402962 799096293 /nfs/dbraw/zinc/09/62/93/799096293.db2.gz ILGUCCNOXULKCK-SNVBAGLBSA-N 0 1 284.290 3.145 20 30 CGEDMN C#C[C@](C)(CC)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000395175114 799502904 /nfs/dbraw/zinc/50/29/04/799502904.db2.gz OQEHINVJKUHNOS-CYBMUJFWSA-N 0 1 266.728 3.140 20 30 CGEDMN N#Cc1cc(F)ccc1-c1nc2ccc(F)cc2[nH]1 ZINC000587158178 799683926 /nfs/dbraw/zinc/68/39/26/799683926.db2.gz LGAVKDHDPBCROP-UHFFFAOYSA-N 0 1 255.227 3.380 20 30 CGEDMN C#CCCCCC(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000710315321 800034074 /nfs/dbraw/zinc/03/40/74/800034074.db2.gz KGHYBXHDWZHBPG-UHFFFAOYSA-N 0 1 255.321 3.003 20 30 CGEDMN CC(=O)CC(C)=Nc1cc(Cl)nc(C(F)(F)F)n1 ZINC001163733176 806811064 /nfs/dbraw/zinc/81/10/64/806811064.db2.gz JWYFKIGPKMPQEW-HYXAFXHYSA-N 0 1 279.649 3.054 20 30 CGEDMN CC(=O)CC(C)=Nc1ccc(-c2ccccc2C)nn1 ZINC001163736695 806811845 /nfs/dbraw/zinc/81/18/45/806811845.db2.gz AQRRTWPTKYECRP-BENRWUELSA-N 0 1 267.332 3.357 20 30 CGEDMN CC(=O)C=C(C)Nc1ncc(-c2ccccc2)cn1 ZINC001163733327 806812149 /nfs/dbraw/zinc/81/21/49/806812149.db2.gz MSAMYSCMCWAXNW-FLIBITNWSA-N 0 1 253.305 3.048 20 30 CGEDMN CC(=O)C=C(C)N=c1ncc(-c2ccccc2)c[nH]1 ZINC001163733327 806812156 /nfs/dbraw/zinc/81/21/56/806812156.db2.gz MSAMYSCMCWAXNW-FLIBITNWSA-N 0 1 253.305 3.048 20 30 CGEDMN CC(=O)CC(C)=Nc1ncc(C)cc1Br ZINC001163737848 806812837 /nfs/dbraw/zinc/81/28/37/806812837.db2.gz LGOMKHIHJQAYCA-YVMONPNESA-N 0 1 269.142 3.057 20 30 CGEDMN C#Cc1ccc(CN(C)Cc2cccc(O)c2)cc1 ZINC000809539551 800442879 /nfs/dbraw/zinc/44/28/79/800442879.db2.gz VOECHSNDCVKRCR-UHFFFAOYSA-N 0 1 251.329 3.006 20 30 CGEDMN C#Cc1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000809537344 800443463 /nfs/dbraw/zinc/44/34/63/800443463.db2.gz IDZHJWPYXWOAFO-UHFFFAOYSA-N 0 1 294.373 3.129 20 30 CGEDMN C#Cc1ccc(CN(C)Cc2ccc(OC)cc2OC)cc1 ZINC000809541727 800443809 /nfs/dbraw/zinc/44/38/09/800443809.db2.gz OTFAUMWPQDZAIE-UHFFFAOYSA-N 0 1 295.382 3.317 20 30 CGEDMN CO[C@@H](CC(C)C)C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000842943679 800505066 /nfs/dbraw/zinc/50/50/66/800505066.db2.gz WQWPDPLFODMHNH-YPMHNXCESA-N 0 1 292.404 3.258 20 30 CGEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001024438570 800728023 /nfs/dbraw/zinc/72/80/23/800728023.db2.gz RIBSLBVGEASVBP-HOTGVXAUSA-N 0 1 290.451 3.114 20 30 CGEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001024745073 800734845 /nfs/dbraw/zinc/73/48/45/800734845.db2.gz NEXISOJHRRPZHF-SFHVURJKSA-N 0 1 298.430 3.028 20 30 CGEDMN C=CCN1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001024772312 800735917 /nfs/dbraw/zinc/73/59/17/800735917.db2.gz SZGGVWZNUCFRLU-HNNXBMFYSA-N 0 1 292.810 3.110 20 30 CGEDMN C=CCN1CCCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024820166 800736634 /nfs/dbraw/zinc/73/66/34/800736634.db2.gz WEGVZVSWJCXTIO-MRXNPFEDSA-N 0 1 292.467 3.360 20 30 CGEDMN C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001024818938 800736650 /nfs/dbraw/zinc/73/66/50/800736650.db2.gz IHWCGASVOGFPHI-HZPDHXFCSA-N 0 1 292.467 3.360 20 30 CGEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001024817749 800736939 /nfs/dbraw/zinc/73/69/39/800736939.db2.gz GMPLRXMPWUBOGS-HOTGVXAUSA-N 0 1 292.467 3.360 20 30 CGEDMN C=CCN1CCCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001024787850 800737557 /nfs/dbraw/zinc/73/75/57/800737557.db2.gz CGMVPPCIIXFDAL-OAHLLOKOSA-N 0 1 298.386 3.203 20 30 CGEDMN C=C(C)CN1CCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001027908981 800825404 /nfs/dbraw/zinc/82/54/04/800825404.db2.gz GJGPKTAWOPZFHI-CQSZACIVSA-N 0 1 292.448 3.135 20 30 CGEDMN C=C1CCC(C(=O)NC[C@H]2CCCN2C[C@@H](F)CC)CC1 ZINC001028116993 800831769 /nfs/dbraw/zinc/83/17/69/800831769.db2.gz LYRUNLCDALSHAM-JKSUJKDBSA-N 0 1 296.430 3.062 20 30 CGEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccc3occc3c2)C1 ZINC001033843453 800985997 /nfs/dbraw/zinc/98/59/97/800985997.db2.gz KNOJSFLOAAKEAJ-INIZCTEOSA-N 0 1 298.386 3.155 20 30 CGEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834256 800986096 /nfs/dbraw/zinc/98/60/96/800986096.db2.gz VNBCKRCFJCEOJB-HZPDHXFCSA-N 0 1 290.451 3.066 20 30 CGEDMN C=CCN1CC[C@H](N(CC)C(=O)c2ccccc2Cl)C1 ZINC001034026315 800995209 /nfs/dbraw/zinc/99/52/09/800995209.db2.gz VDSFCZRSZBQRBB-ZDUSSCGKSA-N 0 1 292.810 3.062 20 30 CGEDMN C=C(C)CN1CCCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001034199079 801011739 /nfs/dbraw/zinc/01/17/39/801011739.db2.gz OUHUDWSHQABNAB-CQSZACIVSA-N 0 1 292.448 3.217 20 30 CGEDMN C=CCN1CC2(C1)CCN(C(=O)C1(C)CCCCC1)CC2 ZINC001035783072 801061952 /nfs/dbraw/zinc/06/19/52/801061952.db2.gz ZXMADMZVXRAERL-UHFFFAOYSA-N 0 1 290.451 3.067 20 30 CGEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)C(CC)CC)CC[C@@H]21 ZINC001036652760 801086121 /nfs/dbraw/zinc/08/61/21/801086121.db2.gz XUEIATOUIZIENB-GJZGRUSLSA-N 0 1 298.858 3.098 20 30 CGEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)C(C)(C)CC)CC[C@@H]21 ZINC001036804088 801091510 /nfs/dbraw/zinc/09/15/10/801091510.db2.gz DMZCPBXGGTZNOD-KGLIPLIRSA-N 0 1 298.858 3.098 20 30 CGEDMN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCCF ZINC001039897290 801168457 /nfs/dbraw/zinc/16/84/57/801168457.db2.gz WTUDYJKOARLUGD-UXLLHSPISA-N 0 1 296.430 3.014 20 30 CGEDMN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)N2CCC ZINC001039896807 801168469 /nfs/dbraw/zinc/16/84/69/801168469.db2.gz QDUJSHBFQWDEOG-HLLBOEOZSA-N 0 1 278.440 3.064 20 30 CGEDMN C=CCCN1CC(N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001044379952 801239501 /nfs/dbraw/zinc/23/95/01/801239501.db2.gz OXDFADNVTWZGNT-UHFFFAOYSA-N 0 1 292.467 3.312 20 30 CGEDMN C=CCN1CC[C@@](C)(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001046645058 801318668 /nfs/dbraw/zinc/31/86/68/801318668.db2.gz UFQAZBKINFRAPU-MRXNPFEDSA-N 0 1 292.810 3.029 20 30 CGEDMN C=CCN1CC[C@](C)(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001046694655 801321756 /nfs/dbraw/zinc/32/17/56/801321756.db2.gz IXNNKZGPGABXPB-IBGZPJMESA-N 0 1 296.414 3.026 20 30 CGEDMN C=C(Cl)CN[C@H]1CN(C(=O)CC2CC(C)(C)C2)C[C@@H]1C ZINC001055002560 801495690 /nfs/dbraw/zinc/49/56/90/801495690.db2.gz YMTSSHVDIHAYOR-FZMZJTMJSA-N 0 1 298.858 3.002 20 30 CGEDMN C=CCN1C[C@H](NC(=O)c2csc(C)c2C)CC[C@H]1C ZINC001071531839 801543173 /nfs/dbraw/zinc/54/31/73/801543173.db2.gz QXBYVSUNKMFBCL-BXUZGUMPSA-N 0 1 292.448 3.134 20 30 CGEDMN C=CCN1C[C@@H](NC(=O)C2CCC3(CC3)CC2)CC[C@H]1C ZINC001071689398 801546209 /nfs/dbraw/zinc/54/62/09/801546209.db2.gz JVINCNPKDNGENF-ZBFHGGJFSA-N 0 1 290.451 3.112 20 30 CGEDMN C=CCN1C[C@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001071762358 801549738 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C[C@H](O)c1cccc(Nc2cc(C#N)c(F)cc2O)c1 ZINC001210511086 814500412 /nfs/dbraw/zinc/50/04/12/814500412.db2.gz JLRJQWNBHPDEIX-VIFPVBQESA-N 0 1 272.279 3.200 20 30 CGEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)CCCCCCCCC)C1 ZINC001210559882 814527029 /nfs/dbraw/zinc/52/70/29/814527029.db2.gz GJRLOSUVXUKZGS-IAGOWNOFSA-N 0 1 292.467 3.197 20 30 CGEDMN Cn1cncc1Nc1cccc(C(F)(F)F)c1C#N ZINC001211250033 814860737 /nfs/dbraw/zinc/86/07/37/814860737.db2.gz FAGJDOISVMKFHB-UHFFFAOYSA-N 0 1 266.226 3.054 20 30 CGEDMN Cn1cncc1Nc1ccc(C#N)cc1C(F)(F)F ZINC001211249214 814861107 /nfs/dbraw/zinc/86/11/07/814861107.db2.gz MUEJWAWLVIUCSL-UHFFFAOYSA-N 0 1 266.226 3.054 20 30 CGEDMN COc1ccc(N=C(NO)c2ccccc2N)cc1C(C)C ZINC001216002452 815657256 /nfs/dbraw/zinc/65/72/56/815657256.db2.gz QMHKCLIGIUQROH-UHFFFAOYSA-N 0 1 299.374 3.458 20 30 CGEDMN Nc1c(F)cc(-c2cc(/C=N/O)ccc2F)cc1F ZINC001242841004 823149158 /nfs/dbraw/zinc/14/91/58/823149158.db2.gz YGCPQVRMCJAANR-NGYBGAFCSA-N 0 1 266.222 3.161 20 30 CGEDMN 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C=C1O[C@H](C)C(=O)C1Oc1cc(C)cc(Br)c1 ZINC001225751503 817168126 /nfs/dbraw/zinc/16/81/26/817168126.db2.gz FMTFRKMOHZWIIH-MRVPVSSYSA-N 0 1 297.148 3.356 20 30 CGEDMN CCN1CCC[C@H](Oc2c(C)cc(C#N)cc2Cl)C1 ZINC001226595212 817408190 /nfs/dbraw/zinc/40/81/90/817408190.db2.gz JVLMYZVXDHYSDG-ZDUSSCGKSA-N 0 1 278.783 3.383 20 30 CGEDMN C=C(C)C[C@H](Oc1nc[nH]c(=O)c1Br)C(=C)C ZINC001226722114 817446261 /nfs/dbraw/zinc/44/62/61/817446261.db2.gz OJYJTEFZQGBPRN-VIFPVBQESA-N 0 1 299.168 3.234 20 30 CGEDMN C=C[C@@H](CCCCC)Oc1nc2[nH]cnc2c(=S)[nH]1 ZINC001226780495 817462807 /nfs/dbraw/zinc/46/28/07/817462807.db2.gz MJKYAUFPXKLYHE-VIFPVBQESA-N 0 1 278.381 3.155 20 30 CGEDMN C=C[C@@H](CCCCCC)Oc1[nH]c(=O)nc2cnccc21 ZINC001226978080 817522592 /nfs/dbraw/zinc/52/25/92/817522592.db2.gz YRXGQBLZGUOMMH-LBPRGKRZSA-N 0 1 287.363 3.222 20 30 CGEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(F)cc1C(F)(F)F ZINC001227711027 817700996 /nfs/dbraw/zinc/70/09/96/817700996.db2.gz FHACDOIAADWSGQ-ZCFIWIBFSA-N 0 1 290.212 3.443 20 30 CGEDMN C=CC[C@@H](CCCC)Oc1nc(=O)[nH]c2c1CO[C@@H]2C ZINC001227716280 817701915 /nfs/dbraw/zinc/70/19/15/817701915.db2.gz NIRCBTUFGFKFRQ-MNOVXSKESA-N 0 1 278.352 3.287 20 30 CGEDMN CC[C@@H](C#Cc1ccccc1)Oc1ccc2[nH]nnc2c1 ZINC001228662984 817965652 /nfs/dbraw/zinc/96/56/52/817965652.db2.gz PUKKSKMWJHBBLE-AWEZNQCLSA-N 0 1 277.327 3.167 20 30 CGEDMN C=C[C@H](CC)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228859256 818025195 /nfs/dbraw/zinc/02/51/95/818025195.db2.gz JWUCUROQNNHEGU-ZCFIWIBFSA-N 0 1 292.213 3.058 20 30 CGEDMN C#Cc1cccc(C[N@H+](C)Cc2cccc(OC)c2OC)c1 ZINC001231661016 818151521 /nfs/dbraw/zinc/15/15/21/818151521.db2.gz MVWAKMVBKRJDDU-UHFFFAOYSA-N 0 1 295.382 3.317 20 30 CGEDMN C#Cc1cccc(CN(C)Cc2cccc(OC)c2OC)c1 ZINC001231661016 818151526 /nfs/dbraw/zinc/15/15/26/818151526.db2.gz MVWAKMVBKRJDDU-UHFFFAOYSA-N 0 1 295.382 3.317 20 30 CGEDMN C=CCN1CCN(Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001231806181 818181622 /nfs/dbraw/zinc/18/16/22/818181622.db2.gz NZKISIZGXISTCH-UHFFFAOYSA-N 0 1 288.435 3.168 20 30 CGEDMN C(#CC1CCN(Cc2ccns2)CC1)c1ccccc1 ZINC001232194907 818275162 /nfs/dbraw/zinc/27/51/62/818275162.db2.gz ZHKUIDLDLKCMMP-UHFFFAOYSA-N 0 1 282.412 3.407 20 30 CGEDMN CCOc1ncc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C ZINC001232306879 818310133 /nfs/dbraw/zinc/31/01/33/818310133.db2.gz JTFNLQVIZRTBER-MKZZRHPPSA-N 0 1 285.391 3.055 20 30 CGEDMN CN(Cc1cc(C#N)ccn1)[C@H]1CCc2ccccc21 ZINC001232482277 818367087 /nfs/dbraw/zinc/36/70/87/818367087.db2.gz PKQASRFGZAFVNN-KRWDZBQOSA-N 0 1 263.344 3.073 20 30 CGEDMN N#Cc1c(F)ccc(-c2ccc(O)c(F)c2F)c1F ZINC001243341611 823355459 /nfs/dbraw/zinc/35/54/59/823355459.db2.gz VQKPPRZDTIJSRT-UHFFFAOYSA-N 0 1 267.181 3.487 20 30 CGEDMN C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC1(C)C ZINC001233673615 818676043 /nfs/dbraw/zinc/67/60/43/818676043.db2.gz GZFVGSJDZJSJTQ-HZPDHXFCSA-N 0 1 292.467 3.312 20 30 CGEDMN N#Cc1cc(C#N)cc(-c2ccc(O)c(F)c2F)c1 ZINC001243342553 823357000 /nfs/dbraw/zinc/35/70/00/823357000.db2.gz IIUKCLCEALWKJP-UHFFFAOYSA-N 0 1 256.211 3.081 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252.273 3.138 20 30 CGEDMN N#CCc1ccccc1CN1CCOC2(CCCCC2)C1 ZINC001235530121 819116332 /nfs/dbraw/zinc/11/63/32/819116332.db2.gz QNPWPJNDXDKCOP-UHFFFAOYSA-N 0 1 284.403 3.288 20 30 CGEDMN CC[C@H]1CCCN1Cc1c(F)cc(C#N)cc1F ZINC001235656215 819130778 /nfs/dbraw/zinc/13/07/78/819130778.db2.gz ALGVLQNNGOCFRK-NSHDSACASA-N 0 1 250.292 3.211 20 30 CGEDMN C=CCCCCN(C)Cc1c(F)ccc(N)c1F ZINC001236085842 819307797 /nfs/dbraw/zinc/30/77/97/819307797.db2.gz WRSAGHWCJJQOMB-UHFFFAOYSA-N 0 1 254.324 3.335 20 30 CGEDMN C=CCN(CC=C)Cc1cc(Cl)cc(C(=O)OC)c1 ZINC001236773646 819592304 /nfs/dbraw/zinc/59/23/04/819592304.db2.gz CGSJYBWQVPYCAM-UHFFFAOYSA-N 0 1 279.767 3.301 20 30 CGEDMN N#Cc1cc(CN2CC3CCC(CC3)C2)c(F)cc1F ZINC001237531150 819772323 /nfs/dbraw/zinc/77/23/23/819772323.db2.gz VZYCDHYEGSHDNC-UHFFFAOYSA-N 0 1 276.330 3.458 20 30 CGEDMN CCOc1c(F)cccc1-c1cc2[nH]cnc2c(C#N)n1 ZINC001243530749 823431854 /nfs/dbraw/zinc/43/18/54/823431854.db2.gz BNMVWXKZUZODHF-UHFFFAOYSA-N 0 1 282.278 3.034 20 30 CGEDMN C#CC[N@H+](C)Cc1ccc(COc2ccccc2)cc1 ZINC001237921878 819886030 /nfs/dbraw/zinc/88/60/30/819886030.db2.gz WVSBNEZGBRBOHJ-UHFFFAOYSA-N 0 1 265.356 3.331 20 30 CGEDMN C#CCN(C)Cc1ccc(COc2ccccc2)cc1 ZINC001237921878 819886044 /nfs/dbraw/zinc/88/60/44/819886044.db2.gz WVSBNEZGBRBOHJ-UHFFFAOYSA-N 0 1 265.356 3.331 20 30 CGEDMN C#C[C@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237994072 819904388 /nfs/dbraw/zinc/90/43/88/819904388.db2.gz BPHYFUGAONFJPM-JTQLQIEISA-N 0 1 267.731 3.030 20 30 CGEDMN C#C[C@H]1CCC[N@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237994072 819904390 /nfs/dbraw/zinc/90/43/90/819904390.db2.gz BPHYFUGAONFJPM-JTQLQIEISA-N 0 1 267.731 3.030 20 30 CGEDMN C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237994075 819906368 /nfs/dbraw/zinc/90/63/68/819906368.db2.gz BPHYFUGAONFJPM-SNVBAGLBSA-N 0 1 267.731 3.030 20 30 CGEDMN C#C[C@@H]1CCC[N@H+](Cc2cc(F)c([O-])c(Cl)c2)C1 ZINC001237994075 819906372 /nfs/dbraw/zinc/90/63/72/819906372.db2.gz BPHYFUGAONFJPM-SNVBAGLBSA-N 0 1 267.731 3.030 20 30 CGEDMN Cc1cc(F)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1O ZINC001238059532 819920703 /nfs/dbraw/zinc/92/07/03/819920703.db2.gz DLJNGWVMKMEMAK-UHFFFAOYSA-N 0 1 296.345 3.270 20 30 CGEDMN Cc1cc(F)cc(CN2CCc3ccc(C#N)cc3C2)c1O ZINC001238059532 819920708 /nfs/dbraw/zinc/92/07/08/819920708.db2.gz DLJNGWVMKMEMAK-UHFFFAOYSA-N 0 1 296.345 3.270 20 30 CGEDMN CC1(C)[C@@H]2CN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001238190294 819950813 /nfs/dbraw/zinc/95/08/13/819950813.db2.gz BYLVLGIZJQAZDL-BETUJISGSA-N 0 1 260.768 3.299 20 30 CGEDMN N#C[C@H]1CCCN(Cc2cncc(C3CC3)c2)CC1 ZINC001238189588 819951305 /nfs/dbraw/zinc/95/13/05/819951305.db2.gz OGANAYMMPANIMR-ZDUSSCGKSA-N 0 1 255.365 3.085 20 30 CGEDMN C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@@]1(C)O ZINC001238189858 819951340 /nfs/dbraw/zinc/95/13/40/819951340.db2.gz YCEMTXQSBMLIBH-MLGOLLRUSA-N 0 1 292.810 3.195 20 30 CGEDMN CO[C@H]1CCCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238192939 819952916 /nfs/dbraw/zinc/95/29/16/819952916.db2.gz WVRFIUIYUQDQPM-AWEZNQCLSA-N 0 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CGEDMN CCc1cccc(CN(CCC#N)CC2CC2)c1O ZINC000848885944 636674456 /nfs/dbraw/zinc/67/44/56/636674456.db2.gz ORGKEHGMROOCBY-UHFFFAOYSA-N 0 1 258.365 3.080 20 30 CGEDMN N#C[C@@H]1CCC[C@H](NCc2cc(O)ccc2Cl)C1 ZINC000883326215 636675625 /nfs/dbraw/zinc/67/56/25/636675625.db2.gz VIUSCYFSVVMNFA-PWSUYJOCSA-N 0 1 264.756 3.218 20 30 CGEDMN C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000883391762 636737064 /nfs/dbraw/zinc/73/70/64/636737064.db2.gz RHHYKYOSYCTWPF-TZMCWYRMSA-N 0 1 283.799 3.413 20 30 CGEDMN C=C(C)C[C@@H](CO)N[C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000883392969 636737878 /nfs/dbraw/zinc/73/78/78/636737878.db2.gz SGMLJKPGVTVXLW-HOCLYGCPSA-N 0 1 299.418 3.065 20 30 CGEDMN C=C(C)C[C@H](CO)NCc1csc(-c2cccs2)n1 ZINC000883400191 636741701 /nfs/dbraw/zinc/74/17/01/636741701.db2.gz GODHRKWMZJFGBK-LLVKDONJSA-N 0 1 294.445 3.288 20 30 CGEDMN C=C(Cl)CN[C@H](C)c1ccc2c(c1)CCCO2 ZINC000850442691 637066083 /nfs/dbraw/zinc/06/60/83/637066083.db2.gz FXLQWVNWNGEGPG-LLVKDONJSA-N 0 1 251.757 3.415 20 30 CGEDMN CC(C)(C)O[C@@H]1C[C@H]1C(=O)C(C#N)c1nc2ccccc2o1 ZINC000850782729 637152169 /nfs/dbraw/zinc/15/21/69/637152169.db2.gz RFFVMWWBGHCHPB-UHIISALHSA-N 0 1 298.342 3.208 20 30 CGEDMN Cc1cccc2nc([C@@H](C#N)C(=O)C3CC4(CC4)C3)[nH]c21 ZINC000850850088 637166123 /nfs/dbraw/zinc/16/61/23/637166123.db2.gz PLDMWVJPGHYVBI-LBPRGKRZSA-N 0 1 279.343 3.238 20 30 CGEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC3(C)C)[nH]c21 ZINC000850850148 637166306 /nfs/dbraw/zinc/16/63/06/637166306.db2.gz QUKYLCCAVDJIIA-NEPJUHHUSA-N 0 1 281.359 3.484 20 30 CGEDMN C#CCOCCN(Cc1cccs1)Cc1cccs1 ZINC000851710707 637468770 /nfs/dbraw/zinc/46/87/70/637468770.db2.gz PXQIXMGOBWTMNY-UHFFFAOYSA-N 0 1 291.441 3.462 20 30 CGEDMN C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccccc1SC ZINC000852098617 637592149 /nfs/dbraw/zinc/59/21/49/637592149.db2.gz RJFSBACSCSOWPN-LRDDRELGSA-N 0 1 290.432 3.127 20 30 CGEDMN C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000852099971 637594449 /nfs/dbraw/zinc/59/44/49/637594449.db2.gz DVVKYHJMQRZJEN-MEBBXXQBSA-N 0 1 296.773 3.198 20 30 CGEDMN C#C[C@](C)(CC)NCc1cc(Cl)nc(Cl)c1 ZINC000852102848 637597445 /nfs/dbraw/zinc/59/74/45/637597445.db2.gz RMAADYWCNLROAY-GFCCVEGCSA-N 0 1 257.164 3.280 20 30 CGEDMN C#CC1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC000852206240 637614846 /nfs/dbraw/zinc/61/48/46/637614846.db2.gz ZQHUDUUBVYNYGC-UHFFFAOYSA-N 0 1 263.768 3.194 20 30 CGEDMN Cc1nc(C2CCN([C@H](C#N)c3ccccc3)CC2)[nH]c1C ZINC000886660877 637639185 /nfs/dbraw/zinc/63/91/85/637639185.db2.gz HWTWETKXDLOYNO-QGZVFWFLSA-N 0 1 294.402 3.471 20 30 CGEDMN C=CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000852356742 637642538 /nfs/dbraw/zinc/64/25/38/637642538.db2.gz MZDMZMGCEYUXPU-NSHDSACASA-N 0 1 298.770 3.271 20 30 CGEDMN C#CCCCN1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000852548973 637677229 /nfs/dbraw/zinc/67/72/29/637677229.db2.gz AITGHEVVPSZLJI-MRXNPFEDSA-N 0 1 275.367 3.391 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000852685888 637695616 /nfs/dbraw/zinc/69/56/16/637695616.db2.gz MBOCHGDZBIBTQI-GASCZTMLSA-N 0 1 289.350 3.417 20 30 CGEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000852685888 637695619 /nfs/dbraw/zinc/69/56/19/637695619.db2.gz MBOCHGDZBIBTQI-GASCZTMLSA-N 0 1 289.350 3.417 20 30 CGEDMN Clc1ccccc1C#CCN1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886816211 637702620 /nfs/dbraw/zinc/70/26/20/637702620.db2.gz PIJYCMJGRDLLMD-NVXWUHKLSA-N 0 1 289.806 3.192 20 30 CGEDMN Cn1ncc(C2CC2)c1CN=Nc1cc(F)c(F)cc1F ZINC000853307726 637806094 /nfs/dbraw/zinc/80/60/94/637806094.db2.gz PLAVUGCFTHKGTL-UHFFFAOYSA-N 0 1 294.280 3.161 20 30 CGEDMN C=CC[C@H]1CCCN(Cn2cc(C)cnc2=S)C1 ZINC000853536983 637864382 /nfs/dbraw/zinc/86/43/82/637864382.db2.gz LPYSMBCQJKCKME-ZDUSSCGKSA-N 0 1 263.410 3.167 20 30 CGEDMN CC(=O)c1ccc(C#N)cc1NC[C@H]1CCN1C(C)(C)C ZINC000853748966 637907286 /nfs/dbraw/zinc/90/72/86/637907286.db2.gz UWMUEXUHZOVYFN-CQSZACIVSA-N 0 1 285.391 3.046 20 30 CGEDMN C=CCCONC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000856033850 638288679 /nfs/dbraw/zinc/28/86/79/638288679.db2.gz UCKGUSPXKNYTPC-UHFFFAOYSA-N 0 1 285.746 3.381 20 30 CGEDMN C#CC[C@@H](NCc1cncc(OCC)c1)c1ccccc1 ZINC000856775311 638386058 /nfs/dbraw/zinc/38/60/58/638386058.db2.gz KUDZBSIBGYKMEP-GOSISDBHSA-N 0 1 280.371 3.335 20 30 CGEDMN C[C@H](NCCCC#N)c1cc(-c2ccccc2)no1 ZINC000926131293 638716126 /nfs/dbraw/zinc/71/61/26/638716126.db2.gz DBLOBUIAVQDNPY-LBPRGKRZSA-N 0 1 255.321 3.296 20 30 CGEDMN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1cn(C)cn1 ZINC000926603278 638790629 /nfs/dbraw/zinc/79/06/29/638790629.db2.gz UUSDZIPWRZTWDU-BLLLJJGKSA-N 0 1 280.375 3.020 20 30 CGEDMN C=CCN(Cc1ccc(Cl)s1)[C@H](CC)CO ZINC000929131147 638901136 /nfs/dbraw/zinc/90/11/36/638901136.db2.gz MGLPUACHQMWMJK-SNVBAGLBSA-N 0 1 259.802 3.160 20 30 CGEDMN Cc1ccc(C)n1C1CCN(Cc2cncc(C#N)c2)CC1 ZINC000929474672 638926903 /nfs/dbraw/zinc/92/69/03/638926903.db2.gz PDPRUUQCXLARGA-UHFFFAOYSA-N 0 1 294.402 3.209 20 30 CGEDMN CC(C)C[N@@H+](CCC#N)C[C@H]1CCCC2(CCC2)O1 ZINC000929692131 638941889 /nfs/dbraw/zinc/94/18/89/638941889.db2.gz XJEVGRZXFGZDFW-OAHLLOKOSA-N 0 1 264.413 3.350 20 30 CGEDMN CC(C)CN(CCC#N)C[C@H]1CCCC2(CCC2)O1 ZINC000929692131 638941890 /nfs/dbraw/zinc/94/18/90/638941890.db2.gz XJEVGRZXFGZDFW-OAHLLOKOSA-N 0 1 264.413 3.350 20 30 CGEDMN N#CC1(CCCCN2CCC(=O)CC23CCC3)CCC1 ZINC000930740940 639062359 /nfs/dbraw/zinc/06/23/59/639062359.db2.gz FLPZIFDFBSHXRQ-UHFFFAOYSA-N 0 1 274.408 3.438 20 30 CGEDMN CC1(C)C[C@]1(NCc1cncc(C#N)c1)c1ccccc1 ZINC000931081655 639109228 /nfs/dbraw/zinc/10/92/28/639109228.db2.gz MURPSNIIPWDVNK-SFHVURJKSA-N 0 1 277.371 3.368 20 30 CGEDMN N#Cc1ccc(CN2C[C@H]3C[C@@]3(c3ccccc3)C2)c(F)c1 ZINC000931932938 639236999 /nfs/dbraw/zinc/23/69/99/639236999.db2.gz FBLWBYJJCJFSOK-MJGOQNOKSA-N 0 1 292.357 3.471 20 30 CGEDMN COc1ccc([C@H](C)NCc2cncc(C#N)c2)cc1C ZINC000932568595 639357116 /nfs/dbraw/zinc/35/71/16/639357116.db2.gz CZIRVRYLMMPQAK-ZDUSSCGKSA-N 0 1 281.359 3.121 20 30 CGEDMN N#Cc1ccc([C@H]2CN(CCc3ccccc3)CCO2)cc1 ZINC000933625723 639470574 /nfs/dbraw/zinc/47/05/74/639470574.db2.gz ROHGODULDFZZSU-LJQANCHMSA-N 0 1 292.382 3.174 20 30 CGEDMN C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1O ZINC000118399009 639600278 /nfs/dbraw/zinc/60/02/78/639600278.db2.gz NBKWZBKUERFKOO-ZDUSSCGKSA-N 0 1 266.344 3.457 20 30 CGEDMN C=CC[C@@H]1CCN1[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000934473027 639616846 /nfs/dbraw/zinc/61/68/46/639616846.db2.gz UKTVSIYDQMGKMC-DVOMOZLQSA-N 0 1 290.382 3.042 20 30 CGEDMN C[C@@H](NCc1cccc(C#N)c1)c1cnn(CC2CCC2)c1 ZINC000934552508 639629737 /nfs/dbraw/zinc/62/97/37/639629737.db2.gz QLSJMXMOCQGQMC-CQSZACIVSA-N 0 1 294.402 3.406 20 30 CGEDMN C=C(C)c1cccc(NC(=O)N[C@H](C)c2n[nH]c(C)n2)c1 ZINC000934881496 639698304 /nfs/dbraw/zinc/69/83/04/639698304.db2.gz BACOOKUVZBEPMT-SNVBAGLBSA-N 0 1 285.351 3.029 20 30 CGEDMN C=CCCCCNC(=O)c1ccc(CN2CCCCC2)o1 ZINC000935438562 639818282 /nfs/dbraw/zinc/81/82/82/639818282.db2.gz NVOZBJZICKUHBE-UHFFFAOYSA-N 0 1 290.407 3.352 20 30 CGEDMN Cc1csc(C(C#N)C(=O)COc2ccc(C)cc2)n1 ZINC000041521462 639904543 /nfs/dbraw/zinc/90/45/43/639904543.db2.gz NRVWPIKWXCFAFS-CYBMUJFWSA-N 0 1 286.356 3.015 20 30 CGEDMN Cc1csc(C(C#N)C(=O)C=Cc2ccccc2C#N)n1 ZINC000048786638 640070380 /nfs/dbraw/zinc/07/03/80/640070380.db2.gz XGWOJGSIOVSSAG-PSKZRQQASA-N 0 1 293.351 3.213 20 30 CGEDMN CCCCCC[C@H](C)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000076839051 640218438 /nfs/dbraw/zinc/21/84/38/640218438.db2.gz NNVZTOGTYSRZFA-ZFWWWQNUSA-N 0 1 292.423 3.361 20 30 CGEDMN CCCCCCCCCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000192082358 640349323 /nfs/dbraw/zinc/34/93/23/640349323.db2.gz BBRNZSKEUHDJSQ-HNNXBMFYSA-N 0 1 289.485 3.246 20 30 CGEDMN C[C@@H]1CC[C@H](CC(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000247686318 640730745 /nfs/dbraw/zinc/73/07/45/640730745.db2.gz SEQBGTVBENCGGT-IPYPFGDCSA-N 0 1 284.359 3.160 20 30 CGEDMN C=C(C)CN1CCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001009326976 640958713 /nfs/dbraw/zinc/95/87/13/640958713.db2.gz LAQQWBLJDRORSP-INIZCTEOSA-N 0 1 286.419 3.074 20 30 CGEDMN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009659096 640962156 /nfs/dbraw/zinc/96/21/56/640962156.db2.gz KMWZSZDJUSTBJX-HZPDHXFCSA-N 0 1 292.467 3.360 20 30 CGEDMN C=C(C)CN1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001015862455 640986543 /nfs/dbraw/zinc/98/65/43/640986543.db2.gz ZXXHMCUIWNANJX-AWEZNQCLSA-N 0 1 294.345 3.004 20 30 CGEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015924383 640988148 /nfs/dbraw/zinc/98/81/48/640988148.db2.gz KHDJWNMDTVRLJO-AWEZNQCLSA-N 0 1 290.407 3.092 20 30 CGEDMN C=C(C)CN1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016363569 640996705 /nfs/dbraw/zinc/99/67/05/640996705.db2.gz RBHIMSJWUGCMQI-CYBMUJFWSA-N 0 1 292.448 3.252 20 30 CGEDMN N#CCc1cc(Nc2ccc3cncn3c2)ccc1F ZINC001250334499 805581372 /nfs/dbraw/zinc/58/13/72/805581372.db2.gz KIBSGAGOAZGQQK-UHFFFAOYSA-N 0 1 266.279 3.283 20 30 CGEDMN CCOC(=O)c1c(C)cc(Cl)nc1N=C(C)CC(C)=O ZINC001155890392 805620451 /nfs/dbraw/zinc/62/04/51/805620451.db2.gz ONZJNUXWZDEQSU-CLFYSBASSA-N 0 1 296.754 3.125 20 30 CGEDMN COc1cc2cnc(N=C(C)CC(C)=O)cc2cc1OC ZINC001155891196 805622163 /nfs/dbraw/zinc/62/21/63/805622163.db2.gz QTTPTVIYFMPVIO-YHYXMXQVSA-N 0 1 286.331 3.157 20 30 CGEDMN CC(=O)C=C(C)Nc1ncc(C)c(-c2ccccc2F)n1 ZINC001155893153 805623784 /nfs/dbraw/zinc/62/37/84/805623784.db2.gz XCPVSCTXHIOZRO-FLIBITNWSA-N 0 1 285.322 3.496 20 30 CGEDMN CC(=O)C=C(C)N=c1nc(-c2ccccc2F)c(C)c[nH]1 ZINC001155893153 805623790 /nfs/dbraw/zinc/62/37/90/805623790.db2.gz XCPVSCTXHIOZRO-FLIBITNWSA-N 0 1 285.322 3.496 20 30 CGEDMN N#Cc1ccc(-c2ccc(OC(F)(F)F)cc2O)nc1 ZINC001250462342 805631252 /nfs/dbraw/zinc/63/12/52/805631252.db2.gz WUGHORCWMWCXTO-UHFFFAOYSA-N 0 1 280.205 3.224 20 30 CGEDMN C=CCN(Cc1nc2cc(C)cc(C)c2[nH]1)C(=O)OCC ZINC001250591748 805711414 /nfs/dbraw/zinc/71/14/14/805711414.db2.gz XYONHXNLQCHWJM-UHFFFAOYSA-N 0 1 287.363 3.324 20 30 CGEDMN COc1ccc2nc(-c3ccc(C#N)cc3F)[nH]c2c1 ZINC001250846080 805788684 /nfs/dbraw/zinc/78/86/84/805788684.db2.gz NHORXPWHCDDQDZ-UHFFFAOYSA-N 0 1 267.263 3.249 20 30 CGEDMN 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280.686 3.130 20 30 CGEDMN C#CCN(CC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000769111413 627523102 /nfs/dbraw/zinc/52/31/02/627523102.db2.gz OHVFCANZEIXKFH-UHFFFAOYSA-N 0 1 260.337 3.173 20 30 CGEDMN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C ZINC000769284602 627535822 /nfs/dbraw/zinc/53/58/22/627535822.db2.gz UFKXGGACPFZHNG-TUKIKUTGSA-N 0 1 298.386 3.115 20 30 CGEDMN C#CCN(Cc1cnc2cccc(C)n12)C1CCCC1 ZINC000769529373 627563134 /nfs/dbraw/zinc/56/31/34/627563134.db2.gz ABTSNADQGCMCRN-UHFFFAOYSA-N 0 1 267.376 3.021 20 30 CGEDMN CCC(=NNc1c(C)cccc1F)c1cnn(C)c1 ZINC000769840419 627583404 /nfs/dbraw/zinc/58/34/04/627583404.db2.gz KNJCOHHTFXMGGT-UHFFFAOYSA-N 0 1 260.316 3.094 20 30 CGEDMN C#C[C@H](C)N(C)Cc1ccc(F)c(Br)c1 ZINC000769977331 627593647 /nfs/dbraw/zinc/59/36/47/627593647.db2.gz GLUSITXGINUDIT-VIFPVBQESA-N 0 1 270.145 3.042 20 30 CGEDMN N#Cc1ccc(C2=CCN(Cc3ccoc3)CC2)cc1 ZINC000770381464 627616480 /nfs/dbraw/zinc/61/64/80/627616480.db2.gz ROTKVTWRYQRHGN-UHFFFAOYSA-N 0 1 264.328 3.441 20 30 CGEDMN Cc1ccc(NN=Cc2ccc(F)cc2C(F)(F)F)nn1 ZINC000771884388 627740003 /nfs/dbraw/zinc/74/00/03/627740003.db2.gz MOXQMSDAOIKPNG-UHFFFAOYSA-N 0 1 298.243 3.389 20 30 CGEDMN C#CCN1CCC(C(=O)OCC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000772109987 627763178 /nfs/dbraw/zinc/76/31/78/627763178.db2.gz MKAWKBSRPLTEKP-CVEARBPZSA-N 0 1 291.435 3.091 20 30 CGEDMN N#Cc1ccc(/C=C/C(=O)c2ccc(O)c(F)c2)c(F)c1 ZINC000772806176 627824678 /nfs/dbraw/zinc/82/46/78/627824678.db2.gz KMXTZENPADTKJC-HWKANZROSA-N 0 1 285.249 3.438 20 30 CGEDMN Cc1nc(CN=Nc2nccnc2C(C)C)c2ccccn12 ZINC000773078862 627852221 /nfs/dbraw/zinc/85/22/21/627852221.db2.gz QBRSQDKALPAYKX-UHFFFAOYSA-N 0 1 294.362 3.002 20 30 CGEDMN Cc1ccc(CCC=Nn2cnnc2-c2ccccc2)cn1 ZINC000774363703 627981789 /nfs/dbraw/zinc/98/17/89/627981789.db2.gz MRAYRJZOTWXUTF-UHFFFAOYSA-N 0 1 291.358 3.115 20 30 CGEDMN CCc1cc(CNc2cc(Cl)ccc2C#N)n[nH]1 ZINC000774528914 628002672 /nfs/dbraw/zinc/00/26/72/628002672.db2.gz GSHBRYDLXGZTMR-UHFFFAOYSA-N 0 1 260.728 3.109 20 30 CGEDMN COc1cc(CNCc2cc(C#N)ccc2F)ccc1C ZINC000775008920 628053040 /nfs/dbraw/zinc/05/30/40/628053040.db2.gz XFJYRQHMEXSQKA-UHFFFAOYSA-N 0 1 284.334 3.304 20 30 CGEDMN C#C[C@H](NC/C=C\c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000775341000 628083928 /nfs/dbraw/zinc/08/39/28/628083928.db2.gz JOCPFMNFSTXPBQ-ZQUHVBMZSA-N 0 1 275.779 3.124 20 30 CGEDMN C#C[C@@H](NCc1ccc2cc(OC)ccc2c1)[C@H]1CCCO1 ZINC000775342970 628084569 /nfs/dbraw/zinc/08/45/69/628084569.db2.gz ULAZWNQNHMVPDB-RTBURBONSA-N 0 1 295.382 3.119 20 30 CGEDMN COC(=O)c1ccccc1N=NCc1cc(C)ccc1OC ZINC000776189300 628178485 /nfs/dbraw/zinc/17/84/85/628178485.db2.gz FRYQFLNGHSUCQX-UHFFFAOYSA-N 0 1 298.342 3.236 20 30 CGEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000776514436 628215634 /nfs/dbraw/zinc/21/56/34/628215634.db2.gz DXFZPRZFHDYNNB-VNHYZAJKSA-N 0 1 284.359 3.079 20 30 CGEDMN Cc1cccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@H](C)C2)c1 ZINC000776514428 628215764 /nfs/dbraw/zinc/21/57/64/628215764.db2.gz DXFZPRZFHDYNNB-GZBFAFLISA-N 0 1 284.359 3.079 20 30 CGEDMN Cc1cc2ccccc2nc1NN=Cc1ccc[nH]1 ZINC000776783865 628231943 /nfs/dbraw/zinc/23/19/43/628231943.db2.gz XBXVYOGSAXSWSJ-UHFFFAOYSA-N 0 1 250.305 3.317 20 30 CGEDMN CC(=NNc1cc(C)ccn1)c1ccc(C#N)c(F)c1 ZINC000776777134 628231996 /nfs/dbraw/zinc/23/19/96/628231996.db2.gz KFACBFWUOYKAPV-UHFFFAOYSA-N 0 1 268.295 3.237 20 30 CGEDMN CCCCCCCOC(=O)Cc1n[nH]c2c1CCCC2 ZINC000777079740 628248360 /nfs/dbraw/zinc/24/83/60/628248360.db2.gz FOIQQORBMFSYFO-UHFFFAOYSA-N 0 1 278.396 3.345 20 30 CGEDMN C=CCOCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000779706599 628421241 /nfs/dbraw/zinc/42/12/41/628421241.db2.gz IJESUMWFCOWMSM-OVCLIPMQSA-N 0 1 274.147 3.321 20 30 CGEDMN CCc1cccnc1C(C)=NNc1ccc(C)cn1 ZINC000779771747 628428471 /nfs/dbraw/zinc/42/84/71/628428471.db2.gz CPPGNNJIKLVFSG-UHFFFAOYSA-N 0 1 254.337 3.184 20 30 CGEDMN Cc1cc(C=NNCCN2CCCCC2)ccc1Cl ZINC000779773823 628428653 /nfs/dbraw/zinc/42/86/53/628428653.db2.gz UPZOOLUCIAXFPP-UHFFFAOYSA-N 0 1 279.815 3.058 20 30 CGEDMN COc1cccc(NN=Cc2ccccc2Cl)n1 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/nfs/dbraw/zinc/72/15/15/628721515.db2.gz NQYMPWBHYPQTNC-UHFFFAOYSA-N 0 1 291.358 3.478 20 30 CGEDMN C[C@H](OC(=O)CN1[C@H](C)CC[C@H]1C)c1cccc(C#N)c1 ZINC000785732141 628883600 /nfs/dbraw/zinc/88/36/00/628883600.db2.gz NFCVHPJOLMTGLQ-MCIONIFRSA-N 0 1 286.375 3.035 20 30 CGEDMN C=CCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000786446168 628933624 /nfs/dbraw/zinc/93/36/24/628933624.db2.gz SCPQMVDTQVNCGG-UHFFFAOYSA-N 0 1 267.756 3.256 20 30 CGEDMN C=CCCN(C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000786447548 628934167 /nfs/dbraw/zinc/93/41/67/628934167.db2.gz VTYVOKDNOMVFJB-UHFFFAOYSA-N 0 1 274.408 3.431 20 30 CGEDMN C#CCn1ccc(CN(CC)CCC(C)(C)CC)n1 ZINC000789332181 629124691 /nfs/dbraw/zinc/12/46/91/629124691.db2.gz MWHBEXMTLCKHMR-UHFFFAOYSA-N 0 1 261.413 3.165 20 30 CGEDMN C#CCn1ccc(CN(CC)CCCC2CCCC2)n1 ZINC000789326316 629124749 /nfs/dbraw/zinc/12/47/49/629124749.db2.gz SEWUJEGTGNGIEX-UHFFFAOYSA-N 0 1 273.424 3.309 20 30 CGEDMN COc1cc2c(cc1CN=Nc1ncccc1C)O[C@@H](C)C2 ZINC000790189924 629191843 /nfs/dbraw/zinc/19/18/43/629191843.db2.gz DVWCJZYXCIIEIH-LBPRGKRZSA-N 0 1 297.358 3.168 20 30 CGEDMN CC(=NNc1ncccc1C)c1ccc(Cl)cn1 ZINC000790192931 629192545 /nfs/dbraw/zinc/19/25/45/629192545.db2.gz KKRWMUMFXDEVPI-UHFFFAOYSA-N 0 1 260.728 3.275 20 30 CGEDMN COc1ccc2nc(C=NNc3ncccc3C)sc2c1 ZINC000790190842 629192644 /nfs/dbraw/zinc/19/26/44/629192644.db2.gz MPPOZSCYVQXUSN-UHFFFAOYSA-N 0 1 298.371 3.454 20 30 CGEDMN COc1ccc2nc(C=N[N-]c3[nH+]cccc3C)sc2c1 ZINC000790190842 629192647 /nfs/dbraw/zinc/19/26/47/629192647.db2.gz MPPOZSCYVQXUSN-UHFFFAOYSA-N 0 1 298.371 3.454 20 30 CGEDMN COc1ccc(C=NNc2ncccc2C)cc1C ZINC000790193169 629193210 /nfs/dbraw/zinc/19/32/10/629193210.db2.gz WLOOIAREAQSDAA-UHFFFAOYSA-N 0 1 255.321 3.153 20 30 CGEDMN Cc1cc(C(C)N=Nc2cccc(F)c2F)no1 ZINC000790298280 629201101 /nfs/dbraw/zinc/20/11/01/629201101.db2.gz YQQOYGDVNKKCAO-UHFFFAOYSA-N 0 1 251.236 3.097 20 30 CGEDMN CCCCCCCNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000862357781 629349871 /nfs/dbraw/zinc/34/98/71/629349871.db2.gz 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819838461 /nfs/dbraw/zinc/83/84/61/819838461.db2.gz NXHMOVKGANSAEJ-FPMFFAJLSA-N 0 1 264.731 3.144 20 30 CGEDMN C#C[C@@H]1CCCN(Cc2cc(F)cc(OCC)c2)C1 ZINC001237919834 819885389 /nfs/dbraw/zinc/88/53/89/819885389.db2.gz KPCBVIOXLQBBBT-CYBMUJFWSA-N 0 1 261.340 3.070 20 30 CGEDMN CCCCN(CC#N)Cc1cc(F)c(O)c(Cl)c1 ZINC001237994168 819906317 /nfs/dbraw/zinc/90/63/17/819906317.db2.gz CLMOLJICYQBRKB-UHFFFAOYSA-N 0 1 270.735 3.310 20 30 CGEDMN C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@]1(C)O ZINC001238189857 819951062 /nfs/dbraw/zinc/95/10/62/819951062.db2.gz YCEMTXQSBMLIBH-LRDDRELGSA-N 0 1 292.810 3.195 20 30 CGEDMN CCc1nnc(-c2ccc(Cl)c(O)c2)c(C#N)c1CC ZINC001243579929 823453336 /nfs/dbraw/zinc/45/33/36/823453336.db2.gz XYHXUISTGXRCRY-UHFFFAOYSA-N 0 1 287.750 3.499 20 30 CGEDMN COc1cc2[nH]cnc2cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239927799 820705658 /nfs/dbraw/zinc/70/56/58/820705658.db2.gz UEFSJOIUIDVQQM-UHFFFAOYSA-N 0 1 285.253 3.388 20 30 CGEDMN N#Cc1ncc(F)cc1C1=CCCN(Cc2ccccc2)C1 ZINC001240388957 821012384 /nfs/dbraw/zinc/01/23/84/821012384.db2.gz YJCQTRYFLUJNID-UHFFFAOYSA-N 0 1 293.345 3.382 20 30 CGEDMN COc1cc(-c2ccccc2C=NO)cc(F)c1F ZINC001240665437 821227261 /nfs/dbraw/zinc/22/72/61/821227261.db2.gz TYZUTRLTBVMDIS-UHFFFAOYSA-N 0 1 263.243 3.449 20 30 CGEDMN N#Cc1cc(-c2cc(F)ccc2O)ncc1C(F)(F)F ZINC001240694210 821249152 /nfs/dbraw/zinc/24/91/52/821249152.db2.gz QOUKGIHNFMFOHA-UHFFFAOYSA-N 0 1 282.196 3.484 20 30 CGEDMN N#Cc1cc(-c2cc(F)ccc2O)nc(C(F)(F)F)c1 ZINC001240693467 821250103 /nfs/dbraw/zinc/25/01/03/821250103.db2.gz CISGVVITFGGTGF-UHFFFAOYSA-N 0 1 282.196 3.484 20 30 CGEDMN N#Cc1c(F)ccc(-c2c(F)ccc(O)c2F)c1F ZINC001241294372 821712697 /nfs/dbraw/zinc/71/26/97/821712697.db2.gz SUFIELWUMDUADW-UHFFFAOYSA-N 0 1 267.181 3.487 20 30 CGEDMN Cc1cnc(C2=CCCN(C)C2)c(C#C[Si](C)(C)C)c1 ZINC001241566768 821952472 /nfs/dbraw/zinc/95/24/72/821952472.db2.gz CUGMHRVETHCHSE-UHFFFAOYSA-N 0 1 284.479 3.338 20 30 CGEDMN CN1CCc2c(F)cc(-c3cc(F)cc(C#N)c3)cc2C1 ZINC001241659962 822036105 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3.062 20 30 CGEDMN C#CCCCCN[C@@H](C)c1ncc(Br)s1 ZINC000130745045 260399376 /nfs/dbraw/zinc/39/93/76/260399376.db2.gz CXKONGGIKZLZIO-VIFPVBQESA-N 0 1 287.226 3.360 20 30 CGEDMN CCN(Cc1ccc(C#N)o1)Cc1ccc(N(C)C)cc1 ZINC000156840278 261133745 /nfs/dbraw/zinc/13/37/45/261133745.db2.gz VWORIESELQSPFQ-UHFFFAOYSA-N 0 1 283.375 3.239 20 30 CGEDMN C#CCN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000490932748 261251744 /nfs/dbraw/zinc/25/17/44/261251744.db2.gz ADKFLQRBCSQPAH-INIZCTEOSA-N 0 1 270.763 3.242 20 30 CGEDMN CN(Cc1ccco1)Cc1ccc(N(C)CCC#N)cc1 ZINC000162168915 261272468 /nfs/dbraw/zinc/27/24/68/261272468.db2.gz CLXAXTFWDBMIBW-UHFFFAOYSA-N 0 1 283.375 3.261 20 30 CGEDMN CCN(CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497272617 262130141 /nfs/dbraw/zinc/13/01/41/262130141.db2.gz SDSJUTZLECDPKD-AWEZNQCLSA-N 0 1 295.427 3.012 20 30 CGEDMN CC(C)C1CCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000319369641 262202842 /nfs/dbraw/zinc/20/28/42/262202842.db2.gz XRRCANSJERVWAD-CQSZACIVSA-N 0 1 299.418 3.253 20 30 CGEDMN N#C[C@H]1CCC[C@@H](NC2(c3ccccc3F)CC2)C1 ZINC000193092952 262216232 /nfs/dbraw/zinc/21/62/32/262216232.db2.gz OLQHGTKGVOCMMB-QWHCGFSZSA-N 0 1 258.340 3.487 20 30 CGEDMN C[C@@H](c1ccc(C#N)cc1)N1CCC(C)(C#N)CC1 ZINC000272513883 263005587 /nfs/dbraw/zinc/00/55/87/263005587.db2.gz GNPIIRMVVAQRJY-ZDUSSCGKSA-N 0 1 253.349 3.245 20 30 CGEDMN C=CCOc1ccc(CN2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000438371420 263054553 /nfs/dbraw/zinc/05/45/53/263054553.db2.gz FWGJMDGSJAAMKF-SOUVJXGZSA-N 0 1 275.392 3.249 20 30 CGEDMN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Br)cn1 ZINC000280272586 263060096 /nfs/dbraw/zinc/06/00/96/263060096.db2.gz YAJADKDIUUFGHG-HOSYDEDBSA-N 0 1 294.196 3.187 20 30 CGEDMN Cc1ccc(-c2n[nH]c(NC(=O)CC(C)(C)C#N)c2C)o1 ZINC000280935333 263065147 /nfs/dbraw/zinc/06/51/47/263065147.db2.gz HJZAIJHPQNDHMN-UHFFFAOYSA-N 0 1 286.335 3.165 20 30 CGEDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCC(C)(C)C#N ZINC000282518018 263077153 /nfs/dbraw/zinc/07/71/53/263077153.db2.gz SSXBOCMHUUFZCG-UHFFFAOYSA-N 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30 CGEDMN CC(C)CCN(CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000096466068 265367899 /nfs/dbraw/zinc/36/78/99/265367899.db2.gz OHLVWSANPJPWFM-UHFFFAOYSA-N 0 1 285.391 3.007 20 30 CGEDMN COc1cccc([C@@H](C)N2CCC(F)(C#N)CC2)c1 ZINC000352442302 265962531 /nfs/dbraw/zinc/96/25/31/265962531.db2.gz NVUNINNMJXCIOS-GFCCVEGCSA-N 0 1 262.328 3.084 20 30 CGEDMN Cc1cc2cn[nH]c2c(C(=O)N(C)c2cccc(C#N)c2)c1 ZINC000522541286 270106343 /nfs/dbraw/zinc/10/63/43/270106343.db2.gz BOSHAWWYQMHASY-UHFFFAOYSA-N 0 1 290.326 3.020 20 30 CGEDMN Cc1oc(NC(=O)CN(C)[C@@H](C)C(C)(C)C)c(C#N)c1C ZINC000532490595 288364556 /nfs/dbraw/zinc/36/45/56/288364556.db2.gz GRAKRADPPCMOJZ-LBPRGKRZSA-N 0 1 291.395 3.073 20 30 CGEDMN N#Cc1ccc(CN[C@@H](c2cccs2)C2CC2)nc1 ZINC000558248122 289481768 /nfs/dbraw/zinc/48/17/68/289481768.db2.gz WOENOVOTXCCMFM-OAHLLOKOSA-N 0 1 269.373 3.256 20 30 CGEDMN N#CCC[C@H](C#N)CN[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000571025566 327977549 /nfs/dbraw/zinc/97/75/49/327977549.db2.gz HUYJNRCLFGYEEU-BYCMXARLSA-N 0 1 273.767 3.229 20 30 CGEDMN CCn1nc(C)c(CN[C@H](C)c2ccc(C#N)cc2)c1C ZINC000307970232 321956322 /nfs/dbraw/zinc/95/63/22/321956322.db2.gz MRQPMZIMDNCCFL-GFCCVEGCSA-N 0 1 282.391 3.242 20 30 CGEDMN N#Cc1ccc(F)c(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000570236962 322268527 /nfs/dbraw/zinc/26/85/27/322268527.db2.gz OLNYXZPBSUSJSJ-OAHLLOKOSA-N 0 1 281.334 3.082 20 30 CGEDMN Cc1ccnc([C@H]2CCN(Cc3ccccc3C#N)C2)c1 ZINC000570341540 322271226 /nfs/dbraw/zinc/27/12/26/322271226.db2.gz IYPGQCXNODACEM-KRWDZBQOSA-N 0 1 277.371 3.251 20 30 CGEDMN Cc1nc2c(n1Cc1ccc(C#N)s1)CCCC2 ZINC000570409705 322273168 /nfs/dbraw/zinc/27/31/68/322273168.db2.gz BDTIKGUSIKHMFK-UHFFFAOYSA-N 0 1 257.362 3.052 20 30 CGEDMN C=C(C)CN1CCN(c2cccc(Br)c2)CC1 ZINC000560169656 327288342 /nfs/dbraw/zinc/28/83/42/327288342.db2.gz HTMOYFKFTZIBPN-UHFFFAOYSA-N 0 1 295.224 3.147 20 30 CGEDMN CCOC1(CNC(=O)c2ccc(F)cc2O)CCCC1 ZINC000331236042 327387878 /nfs/dbraw/zinc/38/78/78/327387878.db2.gz LXTJFOZIBATGPO-UHFFFAOYSA-N 0 1 281.327 3.185 20 30 CGEDMN C=C(Br)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378493163 329052611 /nfs/dbraw/zinc/05/26/11/329052611.db2.gz IZIBQDGESXCTST-ZIAGYGMSSA-N 0 1 296.208 3.262 20 30 CGEDMN C#CCN(Cc1ccc(Br)cn1)C1CCCC1 ZINC000176387515 329174499 /nfs/dbraw/zinc/17/44/99/329174499.db2.gz BCPZJGJDJLXOGJ-UHFFFAOYSA-N 0 1 293.208 3.222 20 30 CGEDMN C[N@H+](CC#Cc1ccc(Cl)cc1)CCc1ccncc1 ZINC000181463686 329233456 /nfs/dbraw/zinc/23/34/56/329233456.db2.gz NBJPSNQPYFYGRM-UHFFFAOYSA-N 0 1 284.790 3.261 20 30 CGEDMN CN(CC#Cc1ccc(Cl)cc1)CCc1ccncc1 ZINC000181463686 329233458 /nfs/dbraw/zinc/23/34/58/329233458.db2.gz NBJPSNQPYFYGRM-UHFFFAOYSA-N 0 1 284.790 3.261 20 30 CGEDMN C=C(C)[C@@H](NCCOCC)c1ccc(F)c(F)c1 ZINC000187760838 329360482 /nfs/dbraw/zinc/36/04/82/329360482.db2.gz PCMKAFLMNJRLGE-CQSZACIVSA-N 0 1 255.308 3.208 20 30 CGEDMN CCc1ccc([C@H](COC)N[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000248716414 329897759 /nfs/dbraw/zinc/89/77/59/329897759.db2.gz BXALJPDJCCDRGC-NFAWXSAZSA-N 0 1 276.380 3.201 20 30 CGEDMN C[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ncc(-c2ccccc2)n1C ZINC000424325411 330341139 /nfs/dbraw/zinc/34/11/39/330341139.db2.gz KRYXZEAINWPBBC-IJEWVQPXSA-N 0 1 294.402 3.430 20 30 CGEDMN C=C(C)CN(CC)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000119637777 330378032 /nfs/dbraw/zinc/37/80/32/330378032.db2.gz PHSMZJBHYFRWRE-INIZCTEOSA-N 0 1 290.407 3.310 20 30 CGEDMN C=C(C)C(C)(C)C(=O)NC[C@H](c1ccsc1)N(C)C ZINC000424568297 330380210 /nfs/dbraw/zinc/38/02/10/330380210.db2.gz BMGKFSAQUDSYCU-CYBMUJFWSA-N 0 1 280.437 3.069 20 30 CGEDMN C=C(C)CNCc1cc(OC)ccc1Br ZINC000153408657 330643509 /nfs/dbraw/zinc/64/35/09/330643509.db2.gz PLTLDQSWEOEAPK-UHFFFAOYSA-N 0 1 270.170 3.123 20 30 CGEDMN C=CCN(CC=C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000441147327 330760273 /nfs/dbraw/zinc/76/02/73/330760273.db2.gz PVSDPZQZZKXTKG-UHFFFAOYSA-N 0 1 273.376 3.426 20 30 CGEDMN C=CCC1(C(=O)N2CCN(C3CCCC3)CC2)CCCC1 ZINC000449422886 330924420 /nfs/dbraw/zinc/92/44/20/330924420.db2.gz MRIYMVNWGUUHBK-UHFFFAOYSA-N 0 1 290.451 3.210 20 30 CGEDMN CCO[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000451526837 331032605 /nfs/dbraw/zinc/03/26/05/331032605.db2.gz HBZILEHACDMTFF-WMLDXEAASA-N 0 1 291.822 3.438 20 30 CGEDMN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1nc2c(s1)CCC2 ZINC000459658675 331292622 /nfs/dbraw/zinc/29/26/22/331292622.db2.gz YQIRSCRRTBXCCO-TUAOUCFPSA-N 0 1 275.421 3.365 20 30 CGEDMN C=CCn1cccc1C(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000488797601 332026066 /nfs/dbraw/zinc/02/60/66/332026066.db2.gz IIGKDDHZGVPJBA-UHFFFAOYSA-N 0 1 280.331 3.111 20 30 CGEDMN C=C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000489434328 332052452 /nfs/dbraw/zinc/05/24/52/332052452.db2.gz VRKYEHPCXNFLPN-CYBMUJFWSA-N 0 1 276.336 3.014 20 30 CGEDMN C=C[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000489434328 332052453 /nfs/dbraw/zinc/05/24/53/332052453.db2.gz VRKYEHPCXNFLPN-CYBMUJFWSA-N 0 1 276.336 3.014 20 30 CGEDMN C#C[C@H](N[C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1F ZINC000491702256 332296381 /nfs/dbraw/zinc/29/63/81/332296381.db2.gz QVXCPFCYRKBNIQ-GMXABZIVSA-N 0 1 281.758 3.311 20 30 CGEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(CC)Cc1cccs1 ZINC000192614613 333237111 /nfs/dbraw/zinc/23/71/11/333237111.db2.gz QOHASAFLYVVHKS-CQSZACIVSA-N 0 1 294.464 3.383 20 30 CGEDMN CC#CCCNCc1cccc(F)c1Br ZINC000125730787 333570870 /nfs/dbraw/zinc/57/08/70/333570870.db2.gz WLOOFVIEAWDBNV-UHFFFAOYSA-N 0 1 270.145 3.091 20 30 CGEDMN C=C[C@@](C)(CC)C(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000135157481 334118301 /nfs/dbraw/zinc/11/83/01/334118301.db2.gz ZHHYRMKNSDLZDW-INIZCTEOSA-N 0 1 271.364 3.090 20 30 CGEDMN CC#CCN(C)Cc1ccc(F)c(Br)c1 ZINC000550502800 334223588 /nfs/dbraw/zinc/22/35/88/334223588.db2.gz SCYFVAGOPPLTIA-UHFFFAOYSA-N 0 1 270.145 3.043 20 30 CGEDMN C=CCN(CC=C)C(=O)[C@H](C)N1CC=C(C(C)(C)C)CC1 ZINC000551006598 334236137 /nfs/dbraw/zinc/23/61/37/334236137.db2.gz SZXNINIPJXQFJX-HNNXBMFYSA-N 0 1 290.451 3.254 20 30 CGEDMN N#CCSCCCN1CCc2ccc(Cl)cc2C1 ZINC000090614107 334364930 /nfs/dbraw/zinc/36/49/30/334364930.db2.gz YNJLTQINYGZIAA-UHFFFAOYSA-N 0 1 280.824 3.345 20 30 CGEDMN CC(C)n1cc([C@@H](C)NCC#Cc2ccccc2)cn1 ZINC000579662792 335839960 /nfs/dbraw/zinc/83/99/60/335839960.db2.gz LZESJCOKGCEVBM-OAHLLOKOSA-N 0 1 267.376 3.166 20 30 CGEDMN C[C@@H]1CCc2c(C(=O)C(C#N)c3ccncn3)csc2C1 ZINC000354463550 534267923 /nfs/dbraw/zinc/26/79/23/534267923.db2.gz ITKMCJTUZVGSCA-ZYHUDNBSSA-N 0 1 297.383 3.153 20 30 CGEDMN C=C(C)C[C@H](C)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000184904220 518634288 /nfs/dbraw/zinc/63/42/88/518634288.db2.gz RZJWUPVVBRJRTL-QWHCGFSZSA-N 0 1 280.437 3.069 20 30 CGEDMN C=CCC1(C(=O)Nc2nc(-c3ccc(C)o3)n[nH]2)CCC1 ZINC000190632997 534596333 /nfs/dbraw/zinc/59/63/33/534596333.db2.gz YTZPSBPKTAOARI-UHFFFAOYSA-N 0 1 286.335 3.058 20 30 CGEDMN CC#CCCCC(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000344507884 526304599 /nfs/dbraw/zinc/30/45/99/526304599.db2.gz APYXYVNYKPRPGI-UHFFFAOYSA-N 0 1 255.321 3.003 20 30 CGEDMN C=CCOc1ccc(CN2CCN(C)C[C@H]2C)cc1Cl ZINC000353584314 526869287 /nfs/dbraw/zinc/86/92/87/526869287.db2.gz GDFLHINEYJTIEJ-CYBMUJFWSA-N 0 1 294.826 3.041 20 30 CGEDMN 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C=C(C)CN(CC)Cc1cnc(OC)c(Br)c1 ZINC001140166561 804391733 /nfs/dbraw/zinc/39/17/33/804391733.db2.gz MJAMFSBXESHDGK-UHFFFAOYSA-N 0 1 299.212 3.251 20 30 CGEDMN CC[C@@H]1c2ccccc2CCN1Cc1ccc(C#N)nc1 ZINC001140545962 804458613 /nfs/dbraw/zinc/45/86/13/804458613.db2.gz RDMFPXOLSGYARP-GOSISDBHSA-N 0 1 277.371 3.463 20 30 CGEDMN CC1(C)CN(Cc2cc(C#N)ccc2Cl)[C@@](C)(CO)C1 ZINC001140600477 804471393 /nfs/dbraw/zinc/47/13/93/804471393.db2.gz LAFGFDUEMYENCQ-MRXNPFEDSA-N 0 1 292.810 3.195 20 30 CGEDMN C[C@H]1CCCN(Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751123 804504675 /nfs/dbraw/zinc/50/46/75/804504675.db2.gz KGPHNGSDOMQPHH-JTQLQIEISA-N 0 1 250.292 3.068 20 30 CGEDMN CCCCc1ncc(CN(CC#N)Cc2ccccc2)[nH]1 ZINC001141072806 804584983 /nfs/dbraw/zinc/58/49/83/804584983.db2.gz ZUDIAIGCELKBLX-UHFFFAOYSA-N 0 1 282.391 3.278 20 30 CGEDMN CCN(Cc1sc(N)c(C#N)c1Cl)C(C)C ZINC001141109000 804591438 /nfs/dbraw/zinc/59/14/38/804591438.db2.gz LHAIHTLPTTZOCX-UHFFFAOYSA-N 0 1 257.790 3.086 20 30 CGEDMN N#C[C@H]1CCCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141648715 804661717 /nfs/dbraw/zinc/66/17/17/804661717.db2.gz BLFFKUMZVMLXTG-ZDUSSCGKSA-N 0 1 283.350 3.500 20 30 CGEDMN Cn1cc2c(cccc2CN(CCC#N)C2CCCC2)n1 ZINC001142457068 804725142 /nfs/dbraw/zinc/72/51/42/804725142.db2.gz YWEBGUJTKCIDGS-UHFFFAOYSA-N 0 1 282.391 3.232 20 30 CGEDMN N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C(=O)[O-])C1 ZINC001142660163 804750460 /nfs/dbraw/zinc/75/04/60/804750460.db2.gz HOSSQLAWVDHIBS-NSHDSACASA-N 0 1 292.766 3.164 20 30 CGEDMN N#C[C@@H]1CCCN([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256820633 806985157 /nfs/dbraw/zinc/98/51/57/806985157.db2.gz KGDNYGDLSITQPP-USXIJHARSA-N 0 1 270.376 3.142 20 30 CGEDMN C=CCN(Cc1cnn(C(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001142805585 804772042 /nfs/dbraw/zinc/77/20/42/804772042.db2.gz JTJTUUJOJRUZBC-UHFFFAOYSA-N 0 1 293.411 3.453 20 30 CGEDMN C[C@H]1CN(Cc2c(Cl)cccc2C#N)CCC[C@]1(C)O ZINC001143717296 804886850 /nfs/dbraw/zinc/88/68/50/804886850.db2.gz BHQXVUBHTRFPLZ-LRDDRELGSA-N 0 1 292.810 3.195 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CGEDMN C=CCN(Cc1ccccc1)c1cccc(N(C)C)n1 ZINC001167126076 807155732 /nfs/dbraw/zinc/15/57/32/807155732.db2.gz LKZBNSCBTHBVMG-UHFFFAOYSA-N 0 1 267.376 3.340 20 30 CGEDMN CCCCCCCCCC[C@@H](C)N1CCO[C@@H](C(N)=O)C1 ZINC001257550157 807196496 /nfs/dbraw/zinc/19/64/96/807196496.db2.gz JUKYIRHZOYSFTM-HZPDHXFCSA-N 0 1 298.471 3.092 20 30 CGEDMN C[C@H](Cc1ccc(Br)cc1)N1CC[C@@H](C#N)C1 ZINC001257563533 807198308 /nfs/dbraw/zinc/19/83/08/807198308.db2.gz GKUMRNOFJIQCAY-YPMHNXCESA-N 0 1 293.208 3.226 20 30 CGEDMN C[C@H](Nc1cccc2[nH]nnc21)c1cccc(C#N)c1 ZINC001167710939 807231782 /nfs/dbraw/zinc/23/17/82/807231782.db2.gz SWIFRZUIPURHOJ-JTQLQIEISA-N 0 1 263.304 3.003 20 30 CGEDMN CCCCCCC[C@@H](C)NCc1nc(C(=O)OCC)no1 ZINC001258040892 807271523 /nfs/dbraw/zinc/27/15/23/807271523.db2.gz JPUHYODFIGKRFC-GFCCVEGCSA-N 0 1 297.399 3.085 20 30 CGEDMN CCCCCCC[C@@H](C)N1CCOC[C@H]1COC ZINC001258049738 807276025 /nfs/dbraw/zinc/27/60/25/807276025.db2.gz NYKWUTZJAJJFPY-HUUCEWRRSA-N 0 1 257.418 3.083 20 30 CGEDMN 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CGEDMN C#C[C@](C)(CC)Nc1cnc2cc(Br)ccn21 ZINC001169701411 807693291 /nfs/dbraw/zinc/69/32/91/807693291.db2.gz JOAQJQQRUPVAHW-CYBMUJFWSA-N 0 1 292.180 3.311 20 30 CGEDMN N#Cc1cnc2cc(NC34CCC(C#N)(CC3)CC4)c[nH]c1-2 ZINC001169750233 807703027 /nfs/dbraw/zinc/70/30/27/807703027.db2.gz UPJYVFVKXXQNKF-UHFFFAOYSA-N 0 1 291.358 3.463 20 30 CGEDMN C=C[C@@H](CO)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001169784715 807708346 /nfs/dbraw/zinc/70/83/46/807708346.db2.gz QTGHTDWQFDBHSA-ZDUSSCGKSA-N 0 1 279.343 3.189 20 30 CGEDMN C#CCN(Cc1cnc(-c2ccccc2)o1)CC1CC1 ZINC001262234737 807839354 /nfs/dbraw/zinc/83/93/54/807839354.db2.gz LLAPKGOOPGQHNW-UHFFFAOYSA-N 0 1 266.344 3.187 20 30 CGEDMN C[C@@H](Cc1nc2ccccc2s1)NC[C@@H](C#N)CCC#N ZINC001262570772 807871318 /nfs/dbraw/zinc/87/13/18/807871318.db2.gz DOOMSXODIJZPHC-QWHCGFSZSA-N 0 1 298.415 3.260 20 30 CGEDMN N#C[C@H]1CC=C(Nc2cc(F)nc(F)c2F)CC1 ZINC001212857492 815161208 /nfs/dbraw/zinc/16/12/08/815161208.db2.gz KMYUPIVTUKIRIY-ZETCQYMHSA-N 0 1 253.227 3.118 20 30 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ZINC001481842114 927096967 /nfs/dbraw/zinc/09/69/67/927096967.db2.gz CBXDUXMKISQKEO-ZDUSSCGKSA-N 0 1 286.847 3.050 20 30 CGEDMN N#CC(C(=O)Cc1cc2ccccc2o1)c1cccc(F)n1 ZINC001357580351 937174436 /nfs/dbraw/zinc/17/44/36/937174436.db2.gz MWCVGPADWGNFEX-ZDUSSCGKSA-N 0 1 294.285 3.386 20 30 CGEDMN CCCCCCCN1CC(N(C)C(=O)CC(F)(F)F)C1 ZINC001483855273 927633245 /nfs/dbraw/zinc/63/32/45/927633245.db2.gz DIOMMSUSRWEEKI-UHFFFAOYSA-N 0 1 294.361 3.052 20 30 CGEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)c1ccc(C)s1 ZINC001483918813 927643604 /nfs/dbraw/zinc/64/36/04/927643604.db2.gz KUILVEVWDGPZRV-LBPRGKRZSA-N 0 1 298.839 3.003 20 30 CGEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@](C)(CC)CCC ZINC001485485863 927881871 /nfs/dbraw/zinc/88/18/71/927881871.db2.gz SPJAJCSALLBGIB-SJLPKXTDSA-N 0 1 292.467 3.197 20 30 CGEDMN N#CCC1CCC(NC2(c3cccc(F)c3)COC2)CC1 ZINC001173330107 928228520 /nfs/dbraw/zinc/22/85/20/928228520.db2.gz UAGUSXINXFXWOA-UHFFFAOYSA-N 0 1 288.366 3.113 20 30 CGEDMN C=C(C)CCC(=O)N1CC2(C[C@H]1C)CCN(CCF)CC2 ZINC001488973755 928309071 /nfs/dbraw/zinc/30/90/71/928309071.db2.gz FXJIFGNVKZJNEL-OAHLLOKOSA-N 0 1 296.430 3.015 20 30 CGEDMN C=C(C)CN1CC[C@H](NC(=O)[C@](C)(F)CCCC)[C@H]1C ZINC001489274473 928323749 /nfs/dbraw/zinc/32/37/49/928323749.db2.gz BNGGTSSQSHXGMD-IJEWVQPXSA-N 0 1 284.419 3.060 20 30 CGEDMN C#CCN1CC[C@H](NC(=O)C[C@H](C)CCCCCC)[C@H]1C ZINC001489300726 928326233 /nfs/dbraw/zinc/32/62/33/928326233.db2.gz MQUKMMRMFFVYRF-ZACQAIPSSA-N 0 1 292.467 3.195 20 30 CGEDMN C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001490530038 928361465 /nfs/dbraw/zinc/36/14/65/928361465.db2.gz QBVXVXVNCNDEJP-CZUORRHYSA-N 0 1 290.382 3.043 20 30 CGEDMN C=CCCC(=O)N[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1 ZINC001490530038 928361476 /nfs/dbraw/zinc/36/14/76/928361476.db2.gz QBVXVXVNCNDEJP-CZUORRHYSA-N 0 1 290.382 3.043 20 30 CGEDMN C[C@@H](C#N)OCCN1CCC[C@H]1c1cccc(Cl)c1 ZINC001321445730 928503241 /nfs/dbraw/zinc/50/32/41/928503241.db2.gz HTOBXWSUQRZVQC-WFASDCNBSA-N 0 1 278.783 3.406 20 30 CGEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)[C@H](C)C1CCCC1 ZINC001495585852 928831257 /nfs/dbraw/zinc/83/12/57/928831257.db2.gz JTSODEZPRSXUKJ-UKRRQHHQSA-N 0 1 298.858 3.146 20 30 CGEDMN C=CCCC[C@@H](C)NC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001446811945 937364915 /nfs/dbraw/zinc/36/49/15/937364915.db2.gz VVUGMHTWAMEROD-NWDGAFQWSA-N 0 1 275.396 3.009 20 30 CGEDMN N#Cc1sccc1C(=O)Nc1cc(Cl)ccc1O ZINC001546000169 937371054 /nfs/dbraw/zinc/37/10/54/937371054.db2.gz DYIYPMVOCDLJKM-UHFFFAOYSA-N 0 1 278.720 3.231 20 30 CGEDMN CCCOC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527901 931953747 /nfs/dbraw/zinc/95/37/47/931953747.db2.gz SWJSKCNIBAPBMR-UHFFFAOYSA-N 0 1 276.355 3.088 20 30 CGEDMN N#Cc1ccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001140136327 931956910 /nfs/dbraw/zinc/95/69/10/931956910.db2.gz VQBPXOYXWYILKM-YPMHNXCESA-N 0 1 280.293 3.174 20 30 CGEDMN CC#CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)C ZINC001157675657 931980842 /nfs/dbraw/zinc/98/08/42/931980842.db2.gz SHOBUJBTXXACGO-DLBZAZTESA-N 0 1 292.467 3.005 20 30 CGEDMN CC(C)OC1(CNCc2nc(C#N)cs2)CCCCC1 ZINC001461280965 937574247 /nfs/dbraw/zinc/57/42/47/937574247.db2.gz KZIUCMVGQWDQTE-UHFFFAOYSA-N 0 1 293.436 3.232 20 30 CGEDMN CC[C@H](C)[C@H](CN(CCC#N)CC(C)(C)C)OC ZINC001461899340 937605403 /nfs/dbraw/zinc/60/54/03/937605403.db2.gz NYTAALGANJXRFA-KBPBESRZSA-N 0 1 254.418 3.309 20 30 CGEDMN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCC=C(Cl)Cl ZINC001491556257 932579503 /nfs/dbraw/zinc/57/95/03/932579503.db2.gz CICFKJBAIWGNRW-QWRGUYRKSA-N 0 1 293.238 3.002 20 30 CGEDMN Cc1ccc2c(c1)nc(=O)[nH]c2OC1CCC(C#N)CC1 ZINC001230888086 932635757 /nfs/dbraw/zinc/63/57/57/932635757.db2.gz JTMFQZJXLMHYSO-UHFFFAOYSA-N 0 1 283.331 3.105 20 30 CGEDMN CC#CC[C@H](CC)Oc1[nH]c(=O)nc2cc(F)ccc21 ZINC001230885582 932636290 /nfs/dbraw/zinc/63/62/90/932636290.db2.gz XUGGFSLCUDVXRM-NSHDSACASA-N 0 1 274.295 3.045 20 30 CGEDMN CC#CC[C@@H](CC)Oc1[nH]c(=O)nc2cccc(F)c21 ZINC001231074952 932673050 /nfs/dbraw/zinc/67/30/50/932673050.db2.gz UBWLSXJIIUBVTM-SNVBAGLBSA-N 0 1 274.295 3.045 20 30 CGEDMN C=CCCCCCN1CCN(C(=O)OCC(C)C)CC1 ZINC001307449140 932955020 /nfs/dbraw/zinc/95/50/20/932955020.db2.gz HYINRMRSXPRAFN-UHFFFAOYSA-N 0 1 282.428 3.143 20 30 CGEDMN CCOC(=O)[C@@H]1C2CCC(CC2)N1CCCC(C)(C)C#N ZINC001307791385 933001483 /nfs/dbraw/zinc/00/14/83/933001483.db2.gz GUKKRPFYTJTLMB-NRXISQOPSA-N 0 1 292.423 3.122 20 30 CGEDMN C#Cc1ccc(C[NH2+]Cc2ccc([O-])c(Cl)c2)cc1 ZINC001308509098 933123397 /nfs/dbraw/zinc/12/33/97/933123397.db2.gz ARWHRJZHISKPGF-UHFFFAOYSA-N 0 1 271.747 3.317 20 30 CGEDMN CCCc1cccc(CNCC2(C#N)CCOCC2)c1 ZINC001308548524 933129497 /nfs/dbraw/zinc/12/94/97/933129497.db2.gz AZQYHSNMVAKVJU-UHFFFAOYSA-N 0 1 272.392 3.049 20 30 CGEDMN CSC(C)(C)CCN1CC(Oc2ccc(C#N)cc2)C1 ZINC001308810758 933181426 /nfs/dbraw/zinc/18/14/26/933181426.db2.gz ZKHVZKFNOZVITC-UHFFFAOYSA-N 0 1 290.432 3.153 20 30 CGEDMN C=C(Cl)CNC[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001317181528 933548767 /nfs/dbraw/zinc/54/87/67/933548767.db2.gz KZRRIEGWQIZCHT-CYBMUJFWSA-N 0 1 286.847 3.146 20 30 CGEDMN 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C[C@H](NCc1ccc(C#N)cc1)c1cccc(O)c1 ZINC000037151108 369069555 /nfs/dbraw/zinc/06/95/55/369069555.db2.gz HSWXVRLNDBXTSD-LBPRGKRZSA-N 0 1 252.317 3.115 20 30 CGEDMN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccccn1 ZINC000048273154 369339826 /nfs/dbraw/zinc/33/98/26/369339826.db2.gz BHHNNLPTPWYFFM-UHFFFAOYSA-N 0 1 265.360 3.364 20 30 CGEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)oc1C ZINC000128575198 370964057 /nfs/dbraw/zinc/96/40/57/370964057.db2.gz NFKYCZIGHHMUOZ-LLVKDONJSA-N 0 1 279.299 3.263 20 30 CGEDMN C=CCCN(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000276423482 193325371 /nfs/dbraw/zinc/32/53/71/193325371.db2.gz QPRINRDWLQJTFR-UHFFFAOYSA-N 0 1 261.369 3.106 20 30 CGEDMN C=CCCN(C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000276488240 193352459 /nfs/dbraw/zinc/35/24/59/193352459.db2.gz UMNROARTNDBXLC-UHFFFAOYSA-N 0 1 277.755 3.398 20 30 CGEDMN CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000132637412 371190180 /nfs/dbraw/zinc/19/01/80/371190180.db2.gz QMMCWKFKEZTYDL-GFCCVEGCSA-N 0 1 291.395 3.217 20 30 CGEDMN 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C=C[C@@H]1CCCCN1Cc1cc(OC)c(OC)c(OC)c1 ZINC000426571770 372165295 /nfs/dbraw/zinc/16/52/95/372165295.db2.gz WEMGCGFGAYMQSQ-CQSZACIVSA-N 0 1 291.391 3.253 20 30 CGEDMN C=C[C@H]1CCCCN1Cc1cnc2cc(C)ccn12 ZINC000426571108 372165434 /nfs/dbraw/zinc/16/54/34/372165434.db2.gz RRAAYCQGJBCIHR-AWEZNQCLSA-N 0 1 255.365 3.183 20 30 CGEDMN C=CC[C@H](C(=O)NCCN1CC=C(C)CC1)c1ccccc1 ZINC000427953625 372177435 /nfs/dbraw/zinc/17/74/35/372177435.db2.gz YZQJIQRIFCMGAR-SFHVURJKSA-N 0 1 298.430 3.115 20 30 CGEDMN C=CCOc1ccc(CN2CC[C@H](O)C[C@@H]2C)cc1Cl ZINC000292823054 372217980 /nfs/dbraw/zinc/21/79/80/372217980.db2.gz QEKVSYVBNPFAKO-JSGCOSHPSA-N 0 1 295.810 3.250 20 30 CGEDMN CCS[C@@H]1CCC[C@@H]1NCc1cccc(F)c1C#N ZINC000428953560 372291333 /nfs/dbraw/zinc/29/13/33/372291333.db2.gz KHYSWFIJGHCMAW-LSDHHAIUSA-N 0 1 278.396 3.461 20 30 CGEDMN CC(C)O[C@@H](CN1CCC(F)(C#N)CC1)c1ccccc1 ZINC000428988520 372298450 /nfs/dbraw/zinc/29/84/50/372298450.db2.gz BADSNNQHPTUZPS-INIZCTEOSA-N 0 1 290.382 3.480 20 30 CGEDMN 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C=C(CNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1 ZINC000436733309 372840485 /nfs/dbraw/zinc/84/04/85/372840485.db2.gz GNVYZSLXWMVICF-UHFFFAOYSA-N 0 1 287.746 3.489 20 30 CGEDMN CC[C@H](C#N)Sc1nc(C=Cc2ccccc2)n[nH]1 ZINC000436050039 372828165 /nfs/dbraw/zinc/82/81/65/372828165.db2.gz IAXKYLQGZIAYRN-JLVNDZCYSA-N 0 1 270.361 3.369 20 30 CGEDMN Cc1ccc2nc(CNCc3ccc(C#N)cc3)[nH]c2c1 ZINC000344715320 217285773 /nfs/dbraw/zinc/28/57/73/217285773.db2.gz NRWZTSIFIFXDQZ-UHFFFAOYSA-N 0 1 276.343 3.033 20 30 CGEDMN C=CCOc1cccc(CN2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000438367875 372942929 /nfs/dbraw/zinc/94/29/29/372942929.db2.gz YCWDRNSTGNFZOX-RRFJBIMHSA-N 0 1 275.392 3.249 20 30 CGEDMN CSCCCN(C)CC#Cc1cccc(Cl)c1 ZINC000439473714 372979250 /nfs/dbraw/zinc/97/92/50/372979250.db2.gz VWBPMPNRLQSVEX-UHFFFAOYSA-N 0 1 267.825 3.376 20 30 CGEDMN COc1cc(CN(C)[C@@H](C)c2cccnc2)ccc1C#N ZINC000442832708 373098843 /nfs/dbraw/zinc/09/88/43/373098843.db2.gz FMNCAEYBJFNCRT-ZDUSSCGKSA-N 0 1 281.359 3.155 20 30 CGEDMN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)CN1C ZINC000443502811 373156619 /nfs/dbraw/zinc/15/66/19/373156619.db2.gz SUCIAXRMQSSTOX-MNOVXSKESA-N 0 1 297.324 3.106 20 30 CGEDMN COc1cc2[nH]c(-c3ccc(C#N)c(OC)c3)nc2cc1C ZINC000443026475 373143894 /nfs/dbraw/zinc/14/38/94/373143894.db2.gz LRTMGUDYSBXHGR-UHFFFAOYSA-N 0 1 293.326 3.427 20 30 CGEDMN CN(CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1 ZINC000444583967 373203818 /nfs/dbraw/zinc/20/38/18/373203818.db2.gz QSBHVUCUFBVHGR-UHFFFAOYSA-N 0 1 287.407 3.277 20 30 CGEDMN CCOC(=O)[C@@H](C)N(CCCCC(C)(C)C#N)C1CC1 ZINC000444691809 373238775 /nfs/dbraw/zinc/23/87/75/373238775.db2.gz DHTXZZAEWIMWEB-CYBMUJFWSA-N 0 1 280.412 3.122 20 30 CGEDMN C[C@@H](N(C)CC(=O)N(CCC#N)c1ccccc1)C1(C)CC1 ZINC000177240277 373667548 /nfs/dbraw/zinc/66/75/48/373667548.db2.gz PSEPORVXZBUJMG-OAHLLOKOSA-N 0 1 299.418 3.054 20 30 CGEDMN N#Cc1ccc(NCCN2CCc3ccccc3C2)c(F)c1 ZINC000301137979 373674032 /nfs/dbraw/zinc/67/40/32/373674032.db2.gz DVFXDCYUIAUHRH-UHFFFAOYSA-N 0 1 295.361 3.168 20 30 CGEDMN C=CCC[C@@H](CO)NCc1csc(-c2cccs2)n1 ZINC000449695265 373844672 /nfs/dbraw/zinc/84/46/72/373844672.db2.gz DWUATVBELQLSKH-NSHDSACASA-N 0 1 294.445 3.288 20 30 CGEDMN C=C(CC)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449731319 373859088 /nfs/dbraw/zinc/85/90/88/373859088.db2.gz HYCVOARXQWFGPI-UHFFFAOYSA-N 0 1 286.278 3.252 20 30 CGEDMN C=CCC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CCCC1 ZINC000450057999 373985082 /nfs/dbraw/zinc/98/50/82/373985082.db2.gz BHBOAINZNNLJFU-UHFFFAOYSA-N 0 1 287.407 3.252 20 30 CGEDMN Cc1scc(C(=O)[C@@H](C#N)c2ccccn2)c1C ZINC000180735778 374040364 /nfs/dbraw/zinc/04/03/64/374040364.db2.gz KJVIMLQRHUSEAA-NSHDSACASA-N 0 1 256.330 3.250 20 30 CGEDMN C[C@H](c1ccccc1)[C@H](O)CN(CCC#N)CC(C)(C)C ZINC000450430508 374122233 /nfs/dbraw/zinc/12/22/33/374122233.db2.gz SGLSHUKLDNFUQO-NVXWUHKLSA-N 0 1 288.435 3.413 20 30 CGEDMN CC(C)N(CCc1nccs1)CC1(C#N)CCC1 ZINC000450619584 374164570 /nfs/dbraw/zinc/16/45/70/374164570.db2.gz WYSVRHCYQXAHGL-UHFFFAOYSA-N 0 1 263.410 3.090 20 30 CGEDMN CC(C)CCN(CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000182437093 374271866 /nfs/dbraw/zinc/27/18/66/374271866.db2.gz ACXLOTWVILMWNV-SFHVURJKSA-N 0 1 288.435 3.242 20 30 CGEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ncoc1C1CC1 ZINC000328989486 374398357 /nfs/dbraw/zinc/39/83/57/374398357.db2.gz CSQQZSVEDFDJSZ-UHFFFAOYSA-N 0 1 282.250 3.157 20 30 CGEDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1oc(C2CC2)nc1C ZINC000329570665 374410306 /nfs/dbraw/zinc/41/03/06/374410306.db2.gz MJUJRQXUYOAUDD-UHFFFAOYSA-N 0 1 296.277 3.466 20 30 CGEDMN O=C(N[C@@H]1CCCc2cn[nH]c21)N1CC[C@@H]1c1ccccc1 ZINC000330125608 374449456 /nfs/dbraw/zinc/44/94/56/374449456.db2.gz IKWXAIMTPYMHMF-HUUCEWRRSA-N 0 1 296.374 3.148 20 30 CGEDMN Cc1csc([C@@H](C)NCCOc2ccc(C#N)cc2)n1 ZINC000184192999 374503758 /nfs/dbraw/zinc/50/37/58/374503758.db2.gz VSBGUBGRSQHWBB-GFCCVEGCSA-N 0 1 287.388 3.053 20 30 CGEDMN CC[C@@H]1CCCN(Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000331136282 374508747 /nfs/dbraw/zinc/50/87/47/374508747.db2.gz VFOXKMDPARCTAN-CYBMUJFWSA-N 0 1 296.374 3.230 20 30 CGEDMN Cc1ncsc1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000334503265 374799853 /nfs/dbraw/zinc/79/98/53/374799853.db2.gz NVQNWIGCXAPTIK-CQSZACIVSA-N 0 1 269.373 3.100 20 30 CGEDMN COc1ccc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc1O ZINC000186829183 374926202 /nfs/dbraw/zinc/92/62/02/374926202.db2.gz CHMGNQMMZUEEHF-ZDUSSCGKSA-N 0 1 296.370 3.465 20 30 CGEDMN C=CCCN(C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000467300096 374974173 /nfs/dbraw/zinc/97/41/73/374974173.db2.gz ATMWYFLLFHMZSC-KRWDZBQOSA-N 0 1 292.398 3.147 20 30 CGEDMN Cc1ccc(CN[C@H]2CCCc3cc(C#N)ccc32)nc1 ZINC000334937139 375046110 /nfs/dbraw/zinc/04/61/10/375046110.db2.gz VNPYVOZSIIWXLA-SFHVURJKSA-N 0 1 277.371 3.429 20 30 CGEDMN COCCN(CC#Cc1ccccc1)CCc1ccccc1 ZINC000483597675 375183666 /nfs/dbraw/zinc/18/36/66/375183666.db2.gz LOKXTXMHFJFALR-UHFFFAOYSA-N 0 1 293.410 3.229 20 30 CGEDMN C=CCN1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000481826907 375167741 /nfs/dbraw/zinc/16/77/41/375167741.db2.gz WPQRPDPSGPGDNV-IHRRRGAJSA-N 0 1 265.397 3.147 20 30 CGEDMN N#Cc1ccc(C(=O)Nc2ccccc2Cl)cc1O ZINC000188208549 375177482 /nfs/dbraw/zinc/17/74/82/375177482.db2.gz ZGMKIGYAMJJGDT-UHFFFAOYSA-N 0 1 272.691 3.170 20 30 CGEDMN COc1ccc2c(c1)CCN(CC#Cc1ccccc1)CC2 ZINC000484100949 375186810 /nfs/dbraw/zinc/18/68/10/375186810.db2.gz XGNXTGAGSVPMLJ-UHFFFAOYSA-N 0 1 291.394 3.148 20 30 CGEDMN C[C@@H]1N(Cc2ccccc2C(C)(C)C#N)CCOC1(C)C ZINC000486792951 375198180 /nfs/dbraw/zinc/19/81/80/375198180.db2.gz VPHXDJJBSSKNLM-AWEZNQCLSA-N 0 1 286.419 3.487 20 30 CGEDMN N#Cc1cccc(CN2CC[C@@H](c3cccnc3)C2)c1F ZINC000335419789 375278131 /nfs/dbraw/zinc/27/81/31/375278131.db2.gz YABDEBUBNQFIFZ-OAHLLOKOSA-N 0 1 281.334 3.082 20 30 CGEDMN C#CCn1ccc(CN(CC)[C@@H](C)Cc2ccsc2)n1 ZINC000491325594 375326180 /nfs/dbraw/zinc/32/61/80/375326180.db2.gz DYDNZEREBFVNGI-AWEZNQCLSA-N 0 1 287.432 3.031 20 30 CGEDMN C[C@@H]1[N@@H+](Cc2cccc(C#N)c2F)CCC12CCOCC2 ZINC000335467940 375313035 /nfs/dbraw/zinc/31/30/35/375313035.db2.gz AOIVPAGXWMDMQW-ZDUSSCGKSA-N 0 1 288.366 3.088 20 30 CGEDMN 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C=C(C)C[N@H+](CC)Cc1occ(C(F)(F)F)c1C(=O)[O-] ZINC000903885523 621826986 /nfs/dbraw/zinc/82/69/86/621826986.db2.gz PMXYNMIPMXXNSH-UHFFFAOYSA-N 0 1 291.269 3.395 20 30 CGEDMN CC[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)C(=O)OC ZINC000905003039 622027666 /nfs/dbraw/zinc/02/76/66/622027666.db2.gz OHIDISLUUIMEHW-YSIZRHRHSA-N 0 1 290.146 3.070 20 30 CGEDMN CC(C)n1cc(/C=C/C(=O)c2cccc(CN(C)C)c2)cn1 ZINC000905077670 622032786 /nfs/dbraw/zinc/03/27/86/622032786.db2.gz AWYCEPMWODVRQE-CMDGGOBGSA-N 0 1 297.402 3.422 20 30 CGEDMN C=C[C@](C)(CC)C(=O)N1C[C@@H](NCC(=C)Cl)C(C)(C)C1 ZINC000996228612 625536204 /nfs/dbraw/zinc/53/62/04/625536204.db2.gz QEOCZTKVCSXXJN-CZUORRHYSA-N 0 1 298.858 3.168 20 30 CGEDMN N#Cc1ccc(CNC[C@@H](O)c2cc3ccccc3s2)o1 ZINC000151373170 622777702 /nfs/dbraw/zinc/77/77/02/622777702.db2.gz JJOGFSQUHHLTOZ-CQSZACIVSA-N 0 1 298.367 3.189 20 30 CGEDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1O ZINC000156672454 622832322 /nfs/dbraw/zinc/83/23/22/622832322.db2.gz RFRXDQDZMNVWRX-XVNBXDOJSA-N 0 1 287.246 3.336 20 30 CGEDMN COc1ccc(/C=C/C(=O)c2cc(F)ccc2O)cc1O ZINC000156669713 622832457 /nfs/dbraw/zinc/83/24/57/622832457.db2.gz QUPGRHABNSHOLI-GORDUTHDSA-N 0 1 288.274 3.142 20 30 CGEDMN C=CCCCN(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172324789 623243790 /nfs/dbraw/zinc/24/37/90/623243790.db2.gz WMZSTNMTQLNRAP-UHFFFAOYSA-N 0 1 252.289 3.132 20 30 CGEDMN C[C@@H]1CC[C@@H](CC(=O)C(C#N)C(=O)Nc2ccccc2)C1 ZINC000151599306 623544299 /nfs/dbraw/zinc/54/42/99/623544299.db2.gz SEQBGTVBENCGGT-UMVBOHGHSA-N 0 1 284.359 3.160 20 30 CGEDMN C=C(C)CN1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993032990 623800116 /nfs/dbraw/zinc/80/01/16/623800116.db2.gz DAONEJKUEMQLSW-RYUDHWBXSA-N 0 1 296.798 3.092 20 30 CGEDMN Cc1cc(CN=Nc2ccnc3ccccc23)c(C)n1C ZINC000754942550 623982867 /nfs/dbraw/zinc/98/28/67/623982867.db2.gz BAYAXWDZRBBGCH-UHFFFAOYSA-N 0 1 278.359 3.058 20 30 CGEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993483416 624052298 /nfs/dbraw/zinc/05/22/98/624052298.db2.gz 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PMGLJGUOATYHLB-ZDUSSCGKSA-N 0 1 283.331 3.090 20 30 CGEDMN COc1ccc(C(=O)/C=C\c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000751205622 626380513 /nfs/dbraw/zinc/38/05/13/626380513.db2.gz QCPJTWPZMYPNLC-WTKPLQERSA-N 0 1 299.282 3.205 20 30 CGEDMN C(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1csc2ccccc12 ZINC000753934673 626469070 /nfs/dbraw/zinc/46/90/70/626469070.db2.gz JKABBAWPODDWOE-OKILXGFUSA-N 0 1 298.415 3.095 20 30 CGEDMN CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(C(C)C)cc1 ZINC000753935277 626469163 /nfs/dbraw/zinc/46/91/63/626469163.db2.gz NHKQOKFPGQQRAR-CALCHBBNSA-N 0 1 298.434 3.394 20 30 CGEDMN C[C@H]1CN(C)CC1N=Nc1cc(C(F)(F)F)ccc1F ZINC000753938172 626469441 /nfs/dbraw/zinc/46/94/41/626469441.db2.gz IWNAUJSZVLZINZ-QMMMGPOBSA-N 0 1 289.276 3.194 20 30 CGEDMN C=CCOc1ccc(C=NNc2cc(C)ccn2)cc1 ZINC000755899739 626657687 /nfs/dbraw/zinc/65/76/87/626657687.db2.gz FDSYTVBPJWNDSE-UHFFFAOYSA-N 0 1 267.332 3.401 20 30 CGEDMN Cc1ccnc(NN=Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000755905620 626658165 /nfs/dbraw/zinc/65/81/65/626658165.db2.gz JGWXOAQTFHAFSN-CYBMUJFWSA-N 0 1 280.331 3.127 20 30 CGEDMN Cc1ccnc(NN=Cc2occc2Br)c1 ZINC000755904449 626658362 /nfs/dbraw/zinc/65/83/62/626658362.db2.gz BUXQZAWEZHQJAU-UHFFFAOYSA-N 0 1 280.125 3.192 20 30 CGEDMN C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000756787060 626732296 /nfs/dbraw/zinc/73/22/96/626732296.db2.gz NNVOUMCTBCSVCO-ZIAGYGMSSA-N 0 1 285.387 3.381 20 30 CGEDMN C#CCN(Cc1cc(C(=O)OC)oc1CC)C1CCCC1 ZINC000756910942 626740925 /nfs/dbraw/zinc/74/09/25/626740925.db2.gz HUEJRHJLYJGZTK-UHFFFAOYSA-N 0 1 289.375 3.006 20 30 CGEDMN Cc1cccnc1NN=Cc1ccccc1OC(F)F ZINC000790192979 626769394 /nfs/dbraw/zinc/76/93/94/626769394.db2.gz MJYPYBLBZADTMK-UHFFFAOYSA-N 0 1 277.274 3.437 20 30 CGEDMN Cn1c(Cl)nc(Cl)c1/C=C\C(=O)c1ccccc1O ZINC000757475438 626782489 /nfs/dbraw/zinc/78/24/89/626782489.db2.gz SCEGFODPEXNSAE-SREVYHEPSA-N 0 1 297.141 3.329 20 30 CGEDMN C[C@H](OC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(C#N)cc1 ZINC000757903872 626813287 /nfs/dbraw/zinc/81/32/87/626813287.db2.gz WKXGVLLRTROUKO-SMDDNHRTSA-N 0 1 295.342 3.006 20 30 CGEDMN C#CCOc1ccc(CNCc2ccc(OC)cc2F)cc1 ZINC000758487411 626845909 /nfs/dbraw/zinc/84/59/09/626845909.db2.gz IQGRQDOTKZJVAB-UHFFFAOYSA-N 0 1 299.345 3.136 20 30 CGEDMN Cn1cc(C(=O)/C=C\c2cc(Cl)c(O)cc2Cl)cn1 ZINC000759075151 626872929 /nfs/dbraw/zinc/87/29/29/626872929.db2.gz GDHWUFUVGBASMZ-IHWYPQMZSA-N 0 1 297.141 3.329 20 30 CGEDMN Cc1ccc(F)c(NN=Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000759666736 626913922 /nfs/dbraw/zinc/91/39/22/626913922.db2.gz UZPJLVMWDCPZBU-UHFFFAOYSA-N 0 1 289.266 3.194 20 30 CGEDMN N#Cc1ccc(O)c(NC(=O)c2cccc3cccnc32)c1 ZINC000759712570 626917218 /nfs/dbraw/zinc/91/72/18/626917218.db2.gz ACTGQFUWWCWUNU-UHFFFAOYSA-N 0 1 289.294 3.064 20 30 CGEDMN C#CCN1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000759776223 626921141 /nfs/dbraw/zinc/92/11/41/626921141.db2.gz WYWQFYADKUWWCO-LLVKDONJSA-N 0 1 270.159 3.080 20 30 CGEDMN CC(=NNc1ccccn1)c1cnn(Cc2ccccc2)c1 ZINC000760227273 626945780 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