smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(F)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826289312 608214747 /nfs/dbraw/zinc/21/47/47/608214747.db2.gz VCHZVJFSWAJQKP-OQLLNIDSSA-N -1 3 333.326 3.104 20 50 EGGDHM Cc1ccc(F)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826289312 608214748 /nfs/dbraw/zinc/21/47/48/608214748.db2.gz VCHZVJFSWAJQKP-OQLLNIDSSA-N -1 3 333.326 3.104 20 50 EGGDHM Cc1cc(C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)ccc1[N+](=O)[O-] ZINC000826261828 608387119 /nfs/dbraw/zinc/38/71/19/608387119.db2.gz UHQMCFWEMZOBQS-WZUFQYTHSA-N -1 3 338.352 3.209 20 50 EGGDHM Cc1cc(C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)ccc1[N+](=O)[O-] ZINC000826261828 608387121 /nfs/dbraw/zinc/38/71/21/608387121.db2.gz UHQMCFWEMZOBQS-WZUFQYTHSA-N -1 3 338.352 3.209 20 50 EGGDHM Cc1cc(C)cc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822196755 945983332 /nfs/dbraw/zinc/98/33/32/945983332.db2.gz VZNUIEJLCHVTMX-MLPAPPSSSA-N -1 3 335.392 3.335 20 50 EGGDHM Cc1cc(C)cc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822196755 945983343 /nfs/dbraw/zinc/98/33/43/945983343.db2.gz VZNUIEJLCHVTMX-MLPAPPSSSA-N -1 3 335.392 3.335 20 50 EGGDHM Cc1nc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)sc1C ZINC000822424228 946087170 /nfs/dbraw/zinc/08/71/70/946087170.db2.gz URERZUHJEQAVCP-LFYBBSHMSA-N -1 3 326.360 3.143 20 50 EGGDHM Cc1nc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)sc1C ZINC000822424228 946087180 /nfs/dbraw/zinc/08/71/80/946087180.db2.gz URERZUHJEQAVCP-LFYBBSHMSA-N -1 3 326.360 3.143 20 50 EGGDHM CCC[C@@H](C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825232333 608750236 /nfs/dbraw/zinc/75/02/36/608750236.db2.gz GKBIDVPLWQZAIX-KRWDZBQOSA-N -1 3 348.410 3.166 20 50 EGGDHM CCC[C@@H](C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825232333 608750237 /nfs/dbraw/zinc/75/02/37/608750237.db2.gz GKBIDVPLWQZAIX-KRWDZBQOSA-N -1 3 348.410 3.166 20 50 EGGDHM CC(C)(C)[Si](C)(C)OCCN[C@@H](C(=O)[O-])c1cccc(O)c1 ZINC001590451850 990016152 /nfs/dbraw/zinc/01/61/52/990016152.db2.gz UMLDXQFZBXLRKJ-CQSZACIVSA-N -1 3 325.481 3.129 20 50 EGGDHM Cc1cc(C(C#N)=Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826261504 608387113 /nfs/dbraw/zinc/38/71/13/608387113.db2.gz IEOBUWNUVFOUIN-OQLLNIDSSA-N -1 3 332.323 3.148 20 50 EGGDHM Cc1cc(C(C#N)=Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826261504 608387115 /nfs/dbraw/zinc/38/71/15/608387115.db2.gz IEOBUWNUVFOUIN-OQLLNIDSSA-N -1 3 332.323 3.148 20 50 EGGDHM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103544 998137379 /nfs/dbraw/zinc/13/73/79/998137379.db2.gz YWRYXODUQJCPAV-UONOGXRCSA-N -1 3 341.524 3.230 20 50 EGGDHM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103543 998138316 /nfs/dbraw/zinc/13/83/16/998138316.db2.gz YWRYXODUQJCPAV-KGLIPLIRSA-N -1 3 341.524 3.230 20 50 EGGDHM CCCCC[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825266915 607353942 /nfs/dbraw/zinc/35/39/42/607353942.db2.gz IKAYGIIWKFOOSZ-OAHLLOKOSA-N -1 3 330.436 3.162 20 50 EGGDHM Cc1cc(C(C#N)=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826261638 608386899 /nfs/dbraw/zinc/38/68/99/608386899.db2.gz LWNQYPOYOCGPBT-NTEUORMPSA-N -1 3 332.323 3.148 20 50 EGGDHM Cc1cc(C(C#N)=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826261638 608386900 /nfs/dbraw/zinc/38/69/00/608386900.db2.gz LWNQYPOYOCGPBT-NTEUORMPSA-N -1 3 332.323 3.148 20 50 EGGDHM CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735798054 944703171 /nfs/dbraw/zinc/70/31/71/944703171.db2.gz URWLCVXORHUARA-ZDUSSCGKSA-N -1 3 340.431 3.189 20 50 EGGDHM CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735798054 944703180 /nfs/dbraw/zinc/70/31/80/944703180.db2.gz URWLCVXORHUARA-ZDUSSCGKSA-N -1 3 340.431 3.189 20 50 EGGDHM Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196258 945980096 /nfs/dbraw/zinc/98/00/96/945980096.db2.gz BFHSWRHGBUKOBE-LZYBPNLTSA-N -1 3 347.353 3.413 20 50 EGGDHM Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196258 945980099 /nfs/dbraw/zinc/98/00/99/945980099.db2.gz BFHSWRHGBUKOBE-LZYBPNLTSA-N -1 3 347.353 3.413 20 50 EGGDHM CSc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826230311 608214741 /nfs/dbraw/zinc/21/47/41/608214741.db2.gz NIECYTZHWHDMNK-DHDCSXOGSA-N -1 3 347.403 3.378 20 50 EGGDHM CSc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826230311 608214743 /nfs/dbraw/zinc/21/47/43/608214743.db2.gz NIECYTZHWHDMNK-DHDCSXOGSA-N -1 3 347.403 3.378 20 50 EGGDHM CC1=C(C(=O)[O-])C[C@@H](CN(C)CCO[Si](C)(C)C(C)(C)C)O1 ZINC001594099194 998094951 /nfs/dbraw/zinc/09/49/51/998094951.db2.gz ZWCGQYCWZJIXPO-ZDUSSCGKSA-N -1 3 329.513 3.088 20 50 EGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)C1CCCCC1 ZINC000822795462 946175278 /nfs/dbraw/zinc/17/52/78/946175278.db2.gz BFDPZZRVRBWALR-RIYZIHGNSA-N -1 3 325.347 3.062 20 50 EGGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)C1CCCCC1 ZINC000822795462 946175292 /nfs/dbraw/zinc/17/52/92/946175292.db2.gz BFDPZZRVRBWALR-RIYZIHGNSA-N -1 3 325.347 3.062 20 50 EGGDHM CCC[C@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825234229 608750320 /nfs/dbraw/zinc/75/03/20/608750320.db2.gz XOZXFMLRKUWKQO-QGZVFWFLSA-N -1 3 348.410 3.166 20 50 EGGDHM CCC[C@H](C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825234229 608750323 /nfs/dbraw/zinc/75/03/23/608750323.db2.gz XOZXFMLRKUWKQO-QGZVFWFLSA-N -1 3 348.410 3.166 20 50 EGGDHM CC(C)C(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735685037 944691860 /nfs/dbraw/zinc/69/18/60/944691860.db2.gz ZLIBAQVVQFCPLN-UHFFFAOYSA-N -1 3 340.431 3.189 20 50 EGGDHM CC(C)C(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735685037 944691869 /nfs/dbraw/zinc/69/18/69/944691869.db2.gz ZLIBAQVVQFCPLN-UHFFFAOYSA-N -1 3 340.431 3.189 20 50 EGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)C1CCCCC1 ZINC000826378784 608880226 /nfs/dbraw/zinc/88/02/26/608880226.db2.gz ADTWIWRPFPCTMM-MDWZMJQESA-N -1 3 325.347 3.062 20 50 EGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)C1CCCCC1 ZINC000826378784 608880229 /nfs/dbraw/zinc/88/02/29/608880229.db2.gz ADTWIWRPFPCTMM-MDWZMJQESA-N -1 3 325.347 3.062 20 50 EGGDHM C[C@H](NC=C(C#N)C#N)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824554154 609440937 /nfs/dbraw/zinc/44/09/37/609440937.db2.gz NERTUMDARXEJOH-ZDUSSCGKSA-N -1 3 341.378 3.115 20 50 EGGDHM C[C@H](NC=C(C#N)C#N)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824554154 609440940 /nfs/dbraw/zinc/44/09/40/609440940.db2.gz NERTUMDARXEJOH-ZDUSSCGKSA-N -1 3 341.378 3.115 20 50 EGGDHM CC(C)CC(CC(C)C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735761626 944699046 /nfs/dbraw/zinc/69/90/46/944699046.db2.gz OJQJDGFDOKTKJX-UHFFFAOYSA-N -1 3 328.420 3.045 20 50 EGGDHM CC(C)CC(CC(C)C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735761626 944699053 /nfs/dbraw/zinc/69/90/53/944699053.db2.gz OJQJDGFDOKTKJX-UHFFFAOYSA-N -1 3 328.420 3.045 20 50 EGGDHM CC(C)CCCCC(=O)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001574195226 950978825 /nfs/dbraw/zinc/97/88/25/950978825.db2.gz JWJWJFPMONREIT-UHFFFAOYSA-N -1 3 336.827 3.180 20 50 EGGDHM CC(C)CCCCC(=O)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001574195226 950978845 /nfs/dbraw/zinc/97/88/45/950978845.db2.gz JWJWJFPMONREIT-UHFFFAOYSA-N -1 3 336.827 3.180 20 50 EGGDHM C[C@@H]1[C@H](Cl)[C@@H]1CNCc1ccc(C(=O)[O-])cc1Br ZINC001594191433 998748621 /nfs/dbraw/zinc/74/86/21/998748621.db2.gz YDKZTWSWSDAIML-KOLSJAJHSA-N -1 3 332.625 3.110 20 50 EGGDHM CC(CCC1CCCCC1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735987349 944732698 /nfs/dbraw/zinc/73/26/98/944732698.db2.gz YYIGEJZESGITRB-UHFFFAOYSA-N -1 3 340.431 3.333 20 50 EGGDHM CC(CCC1CCCCC1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735987349 944732702 /nfs/dbraw/zinc/73/27/02/944732702.db2.gz YYIGEJZESGITRB-UHFFFAOYSA-N -1 3 340.431 3.333 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822284302 946044277 /nfs/dbraw/zinc/04/42/77/946044277.db2.gz NXWJNEBGHHFZRL-OVCLIPMQSA-N -1 3 347.353 3.413 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000822284302 946044290 /nfs/dbraw/zinc/04/42/90/946044290.db2.gz NXWJNEBGHHFZRL-OVCLIPMQSA-N -1 3 347.353 3.413 20 50 EGGDHM O=C([O-])C[C@H]1CSCCN1Cc1ccc(OCCCCl)cc1 ZINC000901985774 980666425 /nfs/dbraw/zinc/66/64/25/980666425.db2.gz ZDTSCQKUIYUQJO-AWEZNQCLSA-N -1 3 343.876 3.086 20 50 EGGDHM N#CC(=Cc1cccc(Cl)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379379 608215973 /nfs/dbraw/zinc/21/59/73/608215973.db2.gz QJXOTBXZZRLGQG-VGOFMYFVSA-N -1 3 335.754 3.310 20 50 EGGDHM N#CC(=Cc1cccc(Cl)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379379 608215975 /nfs/dbraw/zinc/21/59/75/608215975.db2.gz QJXOTBXZZRLGQG-VGOFMYFVSA-N -1 3 335.754 3.310 20 50 EGGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1F ZINC000826266276 608218698 /nfs/dbraw/zinc/21/86/98/608218698.db2.gz JKOLBWRLFDEKHK-OVCLIPMQSA-N -1 3 333.326 3.104 20 50 EGGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1F ZINC000826266276 608218700 /nfs/dbraw/zinc/21/87/00/608218700.db2.gz JKOLBWRLFDEKHK-OVCLIPMQSA-N -1 3 333.326 3.104 20 50 EGGDHM CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824391002 609516312 /nfs/dbraw/zinc/51/63/12/609516312.db2.gz GAQLCRGSWDIWJC-GFCCVEGCSA-N -1 3 328.420 3.045 20 50 EGGDHM CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824391002 609516313 /nfs/dbraw/zinc/51/63/13/609516313.db2.gz GAQLCRGSWDIWJC-GFCCVEGCSA-N -1 3 328.420 3.045 20 50 EGGDHM CC1(C)CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824790825 609516931 /nfs/dbraw/zinc/51/69/31/609516931.db2.gz RTERVPZIAQBZQT-UHFFFAOYSA-N -1 3 340.431 3.189 20 50 EGGDHM CC1(C)CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824790825 609516932 /nfs/dbraw/zinc/51/69/32/609516932.db2.gz RTERVPZIAQBZQT-UHFFFAOYSA-N -1 3 340.431 3.189 20 50 EGGDHM CC(=NNC(=O)CCC1CCCCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735449479 944660078 /nfs/dbraw/zinc/66/00/78/944660078.db2.gz ZMWQCEHDHZCQPG-UHFFFAOYSA-N -1 3 340.431 3.067 20 50 EGGDHM CC(=NNC(=O)CCC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735449479 944660084 /nfs/dbraw/zinc/66/00/84/944660084.db2.gz ZMWQCEHDHZCQPG-UHFFFAOYSA-N -1 3 340.431 3.067 20 50 EGGDHM CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735798105 944704022 /nfs/dbraw/zinc/70/40/22/944704022.db2.gz UZQDFFZHXIRSHY-CYBMUJFWSA-N -1 3 340.431 3.189 20 50 EGGDHM CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735798105 944704030 /nfs/dbraw/zinc/70/40/30/944704030.db2.gz UZQDFFZHXIRSHY-CYBMUJFWSA-N -1 3 340.431 3.189 20 50 EGGDHM CC(C)[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736237053 944773621 /nfs/dbraw/zinc/77/36/21/944773621.db2.gz OFJRZNFWMRCMKA-WFASDCNBSA-N -1 3 340.431 3.045 20 50 EGGDHM CC(C)[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736237053 944773626 /nfs/dbraw/zinc/77/36/26/944773626.db2.gz OFJRZNFWMRCMKA-WFASDCNBSA-N -1 3 340.431 3.045 20 50 EGGDHM Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822378590 946074713 /nfs/dbraw/zinc/07/47/13/946074713.db2.gz BUYIINMBWUBUSE-SDQBBNPISA-N -1 3 339.355 3.166 20 50 EGGDHM Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822378590 946074722 /nfs/dbraw/zinc/07/47/22/946074722.db2.gz BUYIINMBWUBUSE-SDQBBNPISA-N -1 3 339.355 3.166 20 50 EGGDHM N#CC(=Cc1cscc1Cl)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379137 608215349 /nfs/dbraw/zinc/21/53/49/608215349.db2.gz JYTHQVNXODZVMP-VZUCSPMQSA-N -1 3 341.783 3.371 20 50 EGGDHM N#CC(=Cc1cscc1Cl)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379137 608215351 /nfs/dbraw/zinc/21/53/51/608215351.db2.gz JYTHQVNXODZVMP-VZUCSPMQSA-N -1 3 341.783 3.371 20 50 EGGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)C1CCCCC1 ZINC000819772631 945285283 /nfs/dbraw/zinc/28/52/83/945285283.db2.gz HSCAUDVUCVGLMA-LBPRGKRZSA-N -1 3 340.431 3.189 20 50 EGGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)C1CCCCC1 ZINC000819772631 945285292 /nfs/dbraw/zinc/28/52/92/945285292.db2.gz HSCAUDVUCVGLMA-LBPRGKRZSA-N -1 3 340.431 3.189 20 50 EGGDHM CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736237051 944773781 /nfs/dbraw/zinc/77/37/81/944773781.db2.gz OFJRZNFWMRCMKA-IUODEOHRSA-N -1 3 340.431 3.045 20 50 EGGDHM CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736237051 944773787 /nfs/dbraw/zinc/77/37/87/944773787.db2.gz OFJRZNFWMRCMKA-IUODEOHRSA-N -1 3 340.431 3.045 20 50 EGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(Cl)s1 ZINC000826379413 948174127 /nfs/dbraw/zinc/17/41/27/948174127.db2.gz QWGKWYFBZXSIQS-YRNVUSSQSA-N -1 3 341.783 3.371 20 50 EGGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(Cl)s1 ZINC000826379413 948174132 /nfs/dbraw/zinc/17/41/32/948174132.db2.gz QWGKWYFBZXSIQS-YRNVUSSQSA-N -1 3 341.783 3.371 20 50 EGGDHM CC(C)(C)[Si](C)(C)OCCN[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001592316954 977697016 /nfs/dbraw/zinc/69/70/16/977697016.db2.gz GIMMOSYVUYZSQW-QGZVFWFLSA-N -1 3 338.524 3.383 20 50 EGGDHM CCC[C@H](CC1CCCC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825242335 607725942 /nfs/dbraw/zinc/72/59/42/607725942.db2.gz OHKYZAUYURCTJT-OAHLLOKOSA-N -1 3 342.447 3.306 20 50 EGGDHM CCC[C@H](CC1CCCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825242335 607725943 /nfs/dbraw/zinc/72/59/43/607725943.db2.gz OHKYZAUYURCTJT-OAHLLOKOSA-N -1 3 342.447 3.306 20 50 EGGDHM Cc1ccc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000822225174 946002570 /nfs/dbraw/zinc/00/25/70/946002570.db2.gz RDMXGQIYGWQJKF-RUDMXATFSA-N -1 3 327.394 3.088 20 50 EGGDHM Cc1ccc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000822225174 946002583 /nfs/dbraw/zinc/00/25/83/946002583.db2.gz RDMXGQIYGWQJKF-RUDMXATFSA-N -1 3 327.394 3.088 20 50 EGGDHM C=C(CBr)CN[C@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001588606312 983697236 /nfs/dbraw/zinc/69/72/36/983697236.db2.gz WJSGYCBATMCHJW-LBPRGKRZSA-N -1 3 348.624 3.015 20 50 EGGDHM Cc1cc(C(C#N)=Cc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826261639 608387281 /nfs/dbraw/zinc/38/72/81/608387281.db2.gz LWNQYPOYOCGPBT-ZROIWOOFSA-N -1 3 332.323 3.148 20 50 EGGDHM Cc1cc(C(C#N)=Cc2ccccc2-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000826261639 608387283 /nfs/dbraw/zinc/38/72/83/608387283.db2.gz LWNQYPOYOCGPBT-ZROIWOOFSA-N -1 3 332.323 3.148 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)c1C ZINC000822284355 946044922 /nfs/dbraw/zinc/04/49/22/946044922.db2.gz PTYDIYMPOLXXSE-WQLSENKSSA-N -1 3 335.392 3.335 20 50 EGGDHM CC(C)(C)[Si](C)(C)OCCN[C@@](C)(CC(=O)[O-])c1ccncc1 ZINC001592316945 977697250 /nfs/dbraw/zinc/69/72/50/977697250.db2.gz GIMMOSYVUYZSQW-KRWDZBQOSA-N -1 3 338.524 3.383 20 50 EGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1cc2ccccc2o1 ZINC000822795438 946173928 /nfs/dbraw/zinc/17/39/28/946173928.db2.gz ASZOCXJFCFADKZ-XFFZJAGNSA-N -1 3 347.359 3.464 20 50 EGGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Cl)s1 ZINC000826379476 948173914 /nfs/dbraw/zinc/17/39/14/948173914.db2.gz SOLDWUMOHCBKOZ-CLTKARDFSA-N -1 3 347.812 3.433 20 50 EGGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Cl)s1 ZINC000826379476 948173916 /nfs/dbraw/zinc/17/39/16/948173916.db2.gz SOLDWUMOHCBKOZ-CLTKARDFSA-N -1 3 347.812 3.433 20 50 EGGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc(Cl)c1 ZINC000822796027 946180294 /nfs/dbraw/zinc/18/02/94/946180294.db2.gz KNLVBFDYRUQISM-YHYXMXQVSA-N -1 3 341.783 3.371 20 50 EGGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc(Cl)c1 ZINC000822796027 946180299 /nfs/dbraw/zinc/18/02/99/946180299.db2.gz KNLVBFDYRUQISM-YHYXMXQVSA-N -1 3 341.783 3.371 20 50 EGGDHM C=C(C)c1cccc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001573295444 947020085 /nfs/dbraw/zinc/02/00/85/947020085.db2.gz RJZWKJVRCLIUKR-UHFFFAOYSA-N -1 3 335.371 3.048 20 50 EGGDHM CCC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000825027978 607720702 /nfs/dbraw/zinc/72/07/02/607720702.db2.gz BATQPHYLIRARKZ-OWBHPGMISA-N -1 3 348.410 3.112 20 50 EGGDHM CCC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000825027978 607720703 /nfs/dbraw/zinc/72/07/03/607720703.db2.gz BATQPHYLIRARKZ-OWBHPGMISA-N -1 3 348.410 3.112 20 50 EGGDHM CC1=C(C(=O)[O-])C[C@H](CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103545 998137928 /nfs/dbraw/zinc/13/79/28/998137928.db2.gz YWRYXODUQJCPAV-ZIAGYGMSSA-N -1 3 341.524 3.230 20 50 EGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826298676 607883747 /nfs/dbraw/zinc/88/37/47/607883747.db2.gz CIZBPCQFNHRXKH-GDNBJRDFSA-N -1 3 344.378 3.029 20 50 EGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826298676 607883748 /nfs/dbraw/zinc/88/37/48/607883748.db2.gz CIZBPCQFNHRXKH-GDNBJRDFSA-N -1 3 344.378 3.029 20 50 EGGDHM CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824391003 609515932 /nfs/dbraw/zinc/51/59/32/609515932.db2.gz GAQLCRGSWDIWJC-LBPRGKRZSA-N -1 3 328.420 3.045 20 50 EGGDHM CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824391003 609515934 /nfs/dbraw/zinc/51/59/34/609515934.db2.gz GAQLCRGSWDIWJC-LBPRGKRZSA-N -1 3 328.420 3.045 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826295754 608880150 /nfs/dbraw/zinc/88/01/50/608880150.db2.gz WRGBKIUPKDGMJB-RIYZIHGNSA-N -1 3 347.353 3.413 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826295754 608880151 /nfs/dbraw/zinc/88/01/51/608880151.db2.gz WRGBKIUPKDGMJB-RIYZIHGNSA-N -1 3 347.353 3.413 20 50 EGGDHM CC1(C)CC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC001575631899 950785830 /nfs/dbraw/zinc/78/58/30/950785830.db2.gz WZAYYDHCYSCAEG-UHFFFAOYSA-N -1 3 342.447 3.162 20 50 EGGDHM CC1(C)CC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC001575631899 950785848 /nfs/dbraw/zinc/78/58/48/950785848.db2.gz WZAYYDHCYSCAEG-UHFFFAOYSA-N -1 3 342.447 3.162 20 50 EGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1c[nH]c2ccccc21 ZINC000822796274 946181686 /nfs/dbraw/zinc/18/16/86/946181686.db2.gz ONXCETXOGITUJU-YFHOEESVSA-N -1 3 346.375 3.199 20 50 EGGDHM C[C@H]1[C@H](CNCc2ccc(C(=O)[O-])cc2Br)[C@H]1Cl ZINC001594191432 998748422 /nfs/dbraw/zinc/74/84/22/998748422.db2.gz YDKZTWSWSDAIML-JWYUURKGSA-N -1 3 332.625 3.110 20 50 EGGDHM CC[C@@H](C)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825074313 607350325 /nfs/dbraw/zinc/35/03/25/607350325.db2.gz FXNBVOIXAYAYQB-GFCCVEGCSA-N -1 3 336.399 3.137 20 50 EGGDHM CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825649102 608216573 /nfs/dbraw/zinc/21/65/73/608216573.db2.gz LEBKDLXDDIVREJ-CXUHLZMHSA-N -1 3 345.362 3.055 20 50 EGGDHM CCOc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825649102 608216575 /nfs/dbraw/zinc/21/65/75/608216575.db2.gz LEBKDLXDDIVREJ-CXUHLZMHSA-N -1 3 345.362 3.055 20 50 EGGDHM N#CC(=CC=Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379610 608217783 /nfs/dbraw/zinc/21/77/83/608217783.db2.gz WXUQTOMJLYGFJR-RFYPFHFPSA-N -1 3 327.347 3.213 20 50 EGGDHM N#CC(=CC=Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379610 608217784 /nfs/dbraw/zinc/21/77/84/608217784.db2.gz WXUQTOMJLYGFJR-RFYPFHFPSA-N -1 3 327.347 3.213 20 50 EGGDHM Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c(C)c1 ZINC000826290325 607883696 /nfs/dbraw/zinc/88/36/96/607883696.db2.gz JPZXVXVFRJQVNI-GDNBJRDFSA-N -1 3 344.378 3.029 20 50 EGGDHM Cc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c(C)c1 ZINC000826290325 607883697 /nfs/dbraw/zinc/88/36/97/607883697.db2.gz JPZXVXVFRJQVNI-GDNBJRDFSA-N -1 3 344.378 3.029 20 50 EGGDHM Cc1cc(C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000826261765 608386684 /nfs/dbraw/zinc/38/66/84/608386684.db2.gz RBAMAVFUWUXGEU-YRNVUSSQSA-N -1 3 338.352 3.209 20 50 EGGDHM CC(C)=CCCC(C)=CC=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735679869 944690210 /nfs/dbraw/zinc/69/02/10/944690210.db2.gz QEJKGYQNIRCFPJ-YLCOBTLKSA-N -1 3 338.415 3.275 20 50 EGGDHM CC(C)=CCCC(C)=CC=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735679869 944690216 /nfs/dbraw/zinc/69/02/16/944690216.db2.gz QEJKGYQNIRCFPJ-YLCOBTLKSA-N -1 3 338.415 3.275 20 50 EGGDHM CC(=CC1CCC(C)CC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC001573367316 947756791 /nfs/dbraw/zinc/75/67/91/947756791.db2.gz ZOCGZHWFCZKHEZ-RAXLEYEMSA-N -1 3 340.431 3.082 20 50 EGGDHM CC(=CC1CCC(C)CC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC001573367316 947756799 /nfs/dbraw/zinc/75/67/99/947756799.db2.gz ZOCGZHWFCZKHEZ-RAXLEYEMSA-N -1 3 340.431 3.082 20 50 EGGDHM C=C(CBr)CN[C@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588606378 983697591 /nfs/dbraw/zinc/69/75/91/983697591.db2.gz ZNFJWQUYIUMJIQ-CQSZACIVSA-N -1 3 330.197 3.056 20 50 EGGDHM C[C@@H]1[C@@H](Cl)[C@H]1CNCc1ccc(C(=O)[O-])cc1Br ZINC001594191434 998748544 /nfs/dbraw/zinc/74/85/44/998748544.db2.gz YDKZTWSWSDAIML-VIRWGQHYSA-N -1 3 332.625 3.110 20 50 EGGDHM CC(=CC1CCC(C)CC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC001573367315 947758104 /nfs/dbraw/zinc/75/81/04/947758104.db2.gz ZOCGZHWFCZKHEZ-JLHYYAGUSA-N -1 3 340.431 3.082 20 50 EGGDHM CC(=CC1CCC(C)CC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC001573367315 947758116 /nfs/dbraw/zinc/75/81/16/947758116.db2.gz ZOCGZHWFCZKHEZ-JLHYYAGUSA-N -1 3 340.431 3.082 20 50 EGGDHM C=C(CBr)CN[C@@](C)(CC(=O)[O-])c1cccc(F)c1 ZINC001588606377 983697734 /nfs/dbraw/zinc/69/77/34/983697734.db2.gz ZNFJWQUYIUMJIQ-AWEZNQCLSA-N -1 3 330.197 3.056 20 50 EGGDHM CCc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825704857 608218102 /nfs/dbraw/zinc/21/81/02/608218102.db2.gz OPTQCVDWWSDCQD-LCYFTJDESA-N -1 3 335.392 3.280 20 50 EGGDHM CCc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825704857 608218103 /nfs/dbraw/zinc/21/81/03/608218103.db2.gz OPTQCVDWWSDCQD-LCYFTJDESA-N -1 3 335.392 3.280 20 50 EGGDHM O=C(CCCC1CCCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406048 607336177 /nfs/dbraw/zinc/33/61/77/607336177.db2.gz FWMQHXRUTDLJKD-UHFFFAOYSA-N -1 3 328.420 3.060 20 50 EGGDHM O=C(CCCC1CCCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406048 607336179 /nfs/dbraw/zinc/33/61/79/607336179.db2.gz FWMQHXRUTDLJKD-UHFFFAOYSA-N -1 3 328.420 3.060 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1C ZINC000826295755 608880111 /nfs/dbraw/zinc/88/01/11/608880111.db2.gz WRGBKIUPKDGMJB-ZSOIEALJSA-N -1 3 347.353 3.413 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1C ZINC000826295755 608880113 /nfs/dbraw/zinc/88/01/13/608880113.db2.gz WRGBKIUPKDGMJB-ZSOIEALJSA-N -1 3 347.353 3.413 20 50 EGGDHM Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822196259 945979009 /nfs/dbraw/zinc/97/90/09/945979009.db2.gz BFHSWRHGBUKOBE-PXNMLYILSA-N -1 3 347.353 3.413 20 50 EGGDHM Cc1cc(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822196259 945979019 /nfs/dbraw/zinc/97/90/19/945979019.db2.gz BFHSWRHGBUKOBE-PXNMLYILSA-N -1 3 347.353 3.413 20 50 EGGDHM CC(C)[C@@H]1CCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1C ZINC000824213968 607964833 /nfs/dbraw/zinc/96/48/33/607964833.db2.gz DLOUCMKSEIOGAU-LRDDRELGSA-N -1 3 340.431 3.045 20 50 EGGDHM CC(C)[C@@H]1CCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1C ZINC000824213968 607964834 /nfs/dbraw/zinc/96/48/34/607964834.db2.gz DLOUCMKSEIOGAU-LRDDRELGSA-N -1 3 340.431 3.045 20 50 EGGDHM N#CC(=CC=Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379609 608217891 /nfs/dbraw/zinc/21/78/91/608217891.db2.gz WXUQTOMJLYGFJR-BJXWFGTRSA-N -1 3 327.347 3.213 20 50 EGGDHM N#CC(=CC=Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379609 608217893 /nfs/dbraw/zinc/21/78/93/608217893.db2.gz WXUQTOMJLYGFJR-BJXWFGTRSA-N -1 3 327.347 3.213 20 50 EGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1c[nH]c2ccccc21 ZINC000822796273 946181563 /nfs/dbraw/zinc/18/15/63/946181563.db2.gz ONXCETXOGITUJU-JXMROGBWSA-N -1 3 346.375 3.199 20 50 EGGDHM CCCC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736409960 944815352 /nfs/dbraw/zinc/81/53/52/944815352.db2.gz IUOIUBMKTZLXLV-UHFFFAOYSA-N -1 3 340.431 3.333 20 50 EGGDHM CCCC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736409960 944815360 /nfs/dbraw/zinc/81/53/60/944815360.db2.gz IUOIUBMKTZLXLV-UHFFFAOYSA-N -1 3 340.431 3.333 20 50 EGGDHM C[C@@H](CNCc1nc(CO[Si](C)(C)C(C)(C)C)cs1)C(=O)[O-] ZINC001603193070 972296709 /nfs/dbraw/zinc/29/67/09/972296709.db2.gz HKXDLQZCLZHHHQ-NSHDSACASA-N -1 3 344.553 3.475 20 50 EGGDHM C=C(CBr)CN(CCCC(=O)[O-])Cc1ccccc1 ZINC001588606287 983696736 /nfs/dbraw/zinc/69/67/36/983696736.db2.gz VDKNGLYWLXKRJL-UHFFFAOYSA-N -1 3 326.234 3.305 20 50 EGGDHM CCCCCC[C@H](CC)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825271826 607348126 /nfs/dbraw/zinc/34/81/26/607348126.db2.gz ORIDNDUZVXFYFO-ZDUSSCGKSA-N -1 3 330.436 3.306 20 50 EGGDHM Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822378679 946073750 /nfs/dbraw/zinc/07/37/50/946073750.db2.gz DCNUNJPKHBRZSF-RMKNXTFCSA-N -1 3 327.394 3.088 20 50 EGGDHM CC[C@@H](CC1CCCCC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825113783 607724282 /nfs/dbraw/zinc/72/42/82/607724282.db2.gz GCGZHASXOHLDAC-AWEZNQCLSA-N -1 3 342.447 3.306 20 50 EGGDHM CC[C@@H](CC1CCCCC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825113783 607724284 /nfs/dbraw/zinc/72/42/84/607724284.db2.gz GCGZHASXOHLDAC-AWEZNQCLSA-N -1 3 342.447 3.306 20 50 EGGDHM CC(C)[C@H]1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1C ZINC000824216697 607964741 /nfs/dbraw/zinc/96/47/41/607964741.db2.gz VHDYAWOISMLMSW-MLGOLLRUSA-N -1 3 340.431 3.045 20 50 EGGDHM CC(C)[C@H]1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1C ZINC000824216697 607964742 /nfs/dbraw/zinc/96/47/42/607964742.db2.gz VHDYAWOISMLMSW-MLGOLLRUSA-N -1 3 340.431 3.045 20 50 EGGDHM CC(C)(C)[Si](C)(C)OCCN[C@H](C(=O)[O-])c1cccc(O)c1 ZINC001590451849 990016781 /nfs/dbraw/zinc/01/67/81/990016781.db2.gz UMLDXQFZBXLRKJ-AWEZNQCLSA-N -1 3 325.481 3.129 20 50 EGGDHM CCCCC[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825266913 607353958 /nfs/dbraw/zinc/35/39/58/607353958.db2.gz IKAYGIIWKFOOSZ-HNNXBMFYSA-N -1 3 330.436 3.162 20 50 EGGDHM C=C(CBr)CN[C@@H](C(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC001588606311 983697275 /nfs/dbraw/zinc/69/72/75/983697275.db2.gz WJSGYCBATMCHJW-GFCCVEGCSA-N -1 3 348.624 3.015 20 50 EGGDHM C[C@@H]1[C@@H](Cl)[C@@H]1CNCc1ccc(C(=O)[O-])cc1Br ZINC001594191431 998748269 /nfs/dbraw/zinc/74/82/69/998748269.db2.gz YDKZTWSWSDAIML-HNBZJPLGSA-N -1 3 332.625 3.110 20 50 EGGDHM CCC[C@@H](C=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825234228 608750124 /nfs/dbraw/zinc/75/01/24/608750124.db2.gz XOZXFMLRKUWKQO-KRWDZBQOSA-N -1 3 348.410 3.166 20 50 EGGDHM CCC[C@@H](C=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825234228 608750125 /nfs/dbraw/zinc/75/01/25/608750125.db2.gz XOZXFMLRKUWKQO-KRWDZBQOSA-N -1 3 348.410 3.166 20 50 EGGDHM CC[C@H](C)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825074314 607350178 /nfs/dbraw/zinc/35/01/78/607350178.db2.gz FXNBVOIXAYAYQB-LBPRGKRZSA-N -1 3 336.399 3.137 20 50 EGGDHM CC(C)c1ccccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824353022 608800380 /nfs/dbraw/zinc/80/03/80/608800380.db2.gz UKGDAEOOCDXMPJ-UHFFFAOYSA-N -1 3 337.387 3.139 20 50 EGGDHM CC(C)c1ccccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824353022 608800381 /nfs/dbraw/zinc/80/03/81/608800381.db2.gz UKGDAEOOCDXMPJ-UHFFFAOYSA-N -1 3 337.387 3.139 20 50 EGGDHM CC(C)=CCC[C@@H](C)CC=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735679184 944688563 /nfs/dbraw/zinc/68/85/63/944688563.db2.gz FAJJQJYZKXMBFM-CQSZACIVSA-N -1 3 340.431 3.355 20 50 EGGDHM CC(C)=CCC[C@@H](C)CC=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735679184 944688570 /nfs/dbraw/zinc/68/85/70/944688570.db2.gz FAJJQJYZKXMBFM-CQSZACIVSA-N -1 3 340.431 3.355 20 50 EGGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826285986 608214862 /nfs/dbraw/zinc/21/48/62/608214862.db2.gz PNDPICHRCCCSLZ-CHHVJCJISA-N -1 3 333.326 3.104 20 50 EGGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826285986 608214863 /nfs/dbraw/zinc/21/48/63/608214863.db2.gz PNDPICHRCCCSLZ-CHHVJCJISA-N -1 3 333.326 3.104 20 50 EGGDHM CC(C)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347760 608800416 /nfs/dbraw/zinc/80/04/16/608800416.db2.gz MVMOOHMYKIFTCU-UHFFFAOYSA-N -1 3 337.387 3.139 20 50 EGGDHM CC(C)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347760 608800417 /nfs/dbraw/zinc/80/04/17/608800417.db2.gz MVMOOHMYKIFTCU-UHFFFAOYSA-N -1 3 337.387 3.139 20 50 EGGDHM CC(C)c1ccc(NNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001574418486 948775512 /nfs/dbraw/zinc/77/55/12/948775512.db2.gz XBNVYVMGBGDCFW-UHFFFAOYSA-N -1 3 337.387 3.139 20 50 EGGDHM CC(C)c1ccc(NNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001574418486 948775530 /nfs/dbraw/zinc/77/55/30/948775530.db2.gz XBNVYVMGBGDCFW-UHFFFAOYSA-N -1 3 337.387 3.139 20 50 EGGDHM CC(C[C@@H](C)CC(C)C)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824391786 609517174 /nfs/dbraw/zinc/51/71/74/609517174.db2.gz KPJRPIZNFPAYDN-LBPRGKRZSA-N -1 3 328.420 3.045 20 50 EGGDHM CC(C[C@@H](C)CC(C)C)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824391786 609517176 /nfs/dbraw/zinc/51/71/76/609517176.db2.gz KPJRPIZNFPAYDN-LBPRGKRZSA-N -1 3 328.420 3.045 20 50 EGGDHM CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825654178 608216509 /nfs/dbraw/zinc/21/65/09/608216509.db2.gz QOXLJFPHUGPSND-YBEGLDIGSA-N -1 3 345.362 3.055 20 50 EGGDHM CCOc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825654178 608216511 /nfs/dbraw/zinc/21/65/11/608216511.db2.gz QOXLJFPHUGPSND-YBEGLDIGSA-N -1 3 345.362 3.055 20 50 EGGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc2ccccc2c1 ZINC000826448048 608802788 /nfs/dbraw/zinc/80/27/88/608802788.db2.gz FZEQNJFBLUCIKU-UHFFFAOYSA-N -1 3 345.366 3.169 20 50 EGGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc2ccccc2c1 ZINC000826448048 608802791 /nfs/dbraw/zinc/80/27/91/608802791.db2.gz FZEQNJFBLUCIKU-UHFFFAOYSA-N -1 3 345.366 3.169 20 50 EGGDHM CC1=C(C(=O)[O-])C[C@@H](CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)O1 ZINC001594103542 998137621 /nfs/dbraw/zinc/13/76/21/998137621.db2.gz YWRYXODUQJCPAV-KBPBESRZSA-N -1 3 341.524 3.230 20 50 EGGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)C1CCCCC1 ZINC000826378783 608880139 /nfs/dbraw/zinc/88/01/39/608880139.db2.gz ADTWIWRPFPCTMM-JYRVWZFOSA-N -1 3 325.347 3.062 20 50 EGGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)C1CCCCC1 ZINC000826378783 608880140 /nfs/dbraw/zinc/88/01/40/608880140.db2.gz ADTWIWRPFPCTMM-JYRVWZFOSA-N -1 3 325.347 3.062 20 50 EGGDHM Cc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826281217 608880798 /nfs/dbraw/zinc/88/07/98/608880798.db2.gz JLBJZNFMHRBKFB-IZZDOVSWSA-N -1 3 339.355 3.166 20 50 EGGDHM Cc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826281217 608880801 /nfs/dbraw/zinc/88/08/01/608880801.db2.gz JLBJZNFMHRBKFB-IZZDOVSWSA-N -1 3 339.355 3.166 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000737382625 945054764 /nfs/dbraw/zinc/05/47/64/945054764.db2.gz ZFUQQHPYZJXPHT-YBEGLDIGSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000737382625 945054771 /nfs/dbraw/zinc/05/47/71/945054771.db2.gz ZFUQQHPYZJXPHT-YBEGLDIGSA-N -1 3 329.363 3.273 20 50 EGGDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=CC#N)c1ccc(F)cc1 ZINC000821608642 945743246 /nfs/dbraw/zinc/74/32/46/945743246.db2.gz ORSZNRRNKAPYHR-LICLKQGHSA-N -1 3 334.358 3.002 20 50 EGGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=CC#N)c1ccc(F)cc1 ZINC000821608642 945743250 /nfs/dbraw/zinc/74/32/50/945743250.db2.gz ORSZNRRNKAPYHR-LICLKQGHSA-N -1 3 334.358 3.002 20 50 EGGDHM Cc1cc(C)cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826264360 608214754 /nfs/dbraw/zinc/21/47/54/608214754.db2.gz LPPVMLVCKKANJH-MFOYZWKCSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1cc(C)cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826264360 608214756 /nfs/dbraw/zinc/21/47/56/608214756.db2.gz LPPVMLVCKKANJH-MFOYZWKCSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1cc(F)ccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826268819 608215052 /nfs/dbraw/zinc/21/50/52/608215052.db2.gz OUEZAPAZPAYYAG-OVCLIPMQSA-N -1 3 333.326 3.104 20 50 EGGDHM Cc1cc(F)ccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826268819 608215053 /nfs/dbraw/zinc/21/50/53/608215053.db2.gz OUEZAPAZPAYYAG-OVCLIPMQSA-N -1 3 333.326 3.104 20 50 EGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826298677 607883570 /nfs/dbraw/zinc/88/35/70/607883570.db2.gz CIZBPCQFNHRXKH-XNTDXEJSSA-N -1 3 344.378 3.029 20 50 EGGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826298677 607883571 /nfs/dbraw/zinc/88/35/71/607883571.db2.gz CIZBPCQFNHRXKH-XNTDXEJSSA-N -1 3 344.378 3.029 20 50 EGGDHM CCCCCC[C@@H](CC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825271940 607724170 /nfs/dbraw/zinc/72/41/70/607724170.db2.gz RISFEEIRSLQUSQ-CYBMUJFWSA-N -1 3 330.436 3.306 20 50 EGGDHM CCCCCC[C@@H](CC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825271940 607724172 /nfs/dbraw/zinc/72/41/72/607724172.db2.gz RISFEEIRSLQUSQ-CYBMUJFWSA-N -1 3 330.436 3.306 20 50 EGGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826286188 608214735 /nfs/dbraw/zinc/21/47/35/608214735.db2.gz UXXBWAKUFQTMKF-RQZCQDPDSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826286188 608214737 /nfs/dbraw/zinc/21/47/37/608214737.db2.gz UXXBWAKUFQTMKF-RQZCQDPDSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000826297998 608216748 /nfs/dbraw/zinc/21/67/48/608216748.db2.gz YYWZHVSZZINLHI-MFOYZWKCSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000826297998 608216749 /nfs/dbraw/zinc/21/67/49/608216749.db2.gz YYWZHVSZZINLHI-MFOYZWKCSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826281218 608880080 /nfs/dbraw/zinc/88/00/80/608880080.db2.gz JLBJZNFMHRBKFB-WDZFZDKYSA-N -1 3 339.355 3.166 20 50 EGGDHM Cc1ccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826281218 608880082 /nfs/dbraw/zinc/88/00/82/608880082.db2.gz JLBJZNFMHRBKFB-WDZFZDKYSA-N -1 3 339.355 3.166 20 50 EGGDHM CC(=NNC(=O)CCC1CCCCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000735447515 944654910 /nfs/dbraw/zinc/65/49/10/944654910.db2.gz KVRPEFIEHHEYHP-UHFFFAOYSA-N -1 3 340.431 3.067 20 50 EGGDHM CC(=NNC(=O)CCC1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000735447515 944654915 /nfs/dbraw/zinc/65/49/15/944654915.db2.gz KVRPEFIEHHEYHP-UHFFFAOYSA-N -1 3 340.431 3.067 20 50 EGGDHM O=C([O-])C[C@@H]1CSCCN1Cc1ccc(OCCCCl)cc1 ZINC000901985776 980666719 /nfs/dbraw/zinc/66/67/19/980666719.db2.gz ZDTSCQKUIYUQJO-CQSZACIVSA-N -1 3 343.876 3.086 20 50 EGGDHM Cc1ccc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826285359 608216470 /nfs/dbraw/zinc/21/64/70/608216470.db2.gz XMIXZWKZDIECIX-LICLKQGHSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1ccc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826285359 608216471 /nfs/dbraw/zinc/21/64/71/608216471.db2.gz XMIXZWKZDIECIX-LICLKQGHSA-N -1 3 329.363 3.273 20 50 EGGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=CC#N)c1ccc(F)cc1 ZINC000821612392 945745268 /nfs/dbraw/zinc/74/52/68/945745268.db2.gz TZEMAPJEPBCYCS-RQZCQDPDSA-N -1 3 334.358 3.002 20 50 EGGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=CC#N)c1ccc(F)cc1 ZINC000821612392 945745274 /nfs/dbraw/zinc/74/52/74/945745274.db2.gz TZEMAPJEPBCYCS-RQZCQDPDSA-N -1 3 334.358 3.002 20 50 EGGDHM Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822378687 946075189 /nfs/dbraw/zinc/07/51/89/946075189.db2.gz DCNUNJPKHBRZSF-TWGQIWQCSA-N -1 3 327.394 3.088 20 50 EGGDHM CC1=C(C(=O)[O-])C[C@H](CN(C)CCO[Si](C)(C)C(C)(C)C)O1 ZINC001594099193 998094671 /nfs/dbraw/zinc/09/46/71/998094671.db2.gz ZWCGQYCWZJIXPO-CYBMUJFWSA-N -1 3 329.513 3.088 20 50 EGGDHM CC[C@@H](CC1CCCCC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825115036 607348138 /nfs/dbraw/zinc/34/81/38/607348138.db2.gz SWCWWWHPTHSUAZ-AWEZNQCLSA-N -1 3 342.447 3.306 20 50 EGGDHM CCC[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825242603 607350185 /nfs/dbraw/zinc/35/01/85/607350185.db2.gz WHJRXVHUWUJHPD-HNNXBMFYSA-N -1 3 342.447 3.306 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)c1C ZINC000826295701 607884944 /nfs/dbraw/zinc/88/49/44/607884944.db2.gz UJIWFFYDWXXXIW-GDNBJRDFSA-N -1 3 329.363 3.273 20 50 EGGDHM Cc1cccc(C(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)c1C ZINC000826295701 607884945 /nfs/dbraw/zinc/88/49/45/607884945.db2.gz UJIWFFYDWXXXIW-GDNBJRDFSA-N -1 3 329.363 3.273 20 50 EGGDHM C[C@H](CNCc1nc(CO[Si](C)(C)C(C)(C)C)cs1)C(=O)[O-] ZINC001603193069 972296485 /nfs/dbraw/zinc/29/64/85/972296485.db2.gz HKXDLQZCLZHHHQ-LLVKDONJSA-N -1 3 344.553 3.475 20 50 EGGDHM N#CC(=Cc1coc2ccccc12)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379665 608217760 /nfs/dbraw/zinc/21/77/60/608217760.db2.gz YKCSCDSTTDHHQU-ZROIWOOFSA-N -1 3 341.330 3.403 20 50 EGGDHM N#CC(=Cc1coc2ccccc12)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379665 608217761 /nfs/dbraw/zinc/21/77/61/608217761.db2.gz YKCSCDSTTDHHQU-ZROIWOOFSA-N -1 3 341.330 3.403 20 50 EGGDHM N#CC(C#N)=CNc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737671231 945108490 /nfs/dbraw/zinc/10/84/90/945108490.db2.gz GUTDJCSXGBYREX-UHFFFAOYSA-N -1 3 329.323 3.002 20 50 EGGDHM N#CC(C#N)=CNc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737671231 945108495 /nfs/dbraw/zinc/10/84/95/945108495.db2.gz GUTDJCSXGBYREX-UHFFFAOYSA-N -1 3 329.323 3.002 20 50 EGGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccc(Cl)s1 ZINC000826378958 948172284 /nfs/dbraw/zinc/17/22/84/948172284.db2.gz FWBDJUQGIUBHHK-ALCCZGGFSA-N -1 3 347.812 3.433 20 50 EGGDHM