smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NN=Cc1ccc2ccccc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128483 945194405 /nfs/dbraw/zinc/19/44/05/945194405.db2.gz CYWHKOYUBQBSIN-UHFFFAOYSA-N -1 3 342.362 2.784 20 50 EFGDHM O=C(NN=Cc1ccc2ccccc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738128483 945194410 /nfs/dbraw/zinc/19/44/10/945194410.db2.gz CYWHKOYUBQBSIN-UHFFFAOYSA-N -1 3 342.362 2.784 20 50 EFGDHM O=C(NN=C(Cc1ccccc1)C1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129951 945204622 /nfs/dbraw/zinc/20/46/22/945204622.db2.gz YYMVZYQJNWHDSH-UHFFFAOYSA-N -1 3 346.394 2.605 20 50 EFGDHM O=C(NN=C(Cc1ccccc1)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129951 945204628 /nfs/dbraw/zinc/20/46/28/945204628.db2.gz YYMVZYQJNWHDSH-UHFFFAOYSA-N -1 3 346.394 2.605 20 50 EFGDHM CC(C)[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820039132 945336902 /nfs/dbraw/zinc/33/69/02/945336902.db2.gz WAMLNCSRSQZOPG-AWEZNQCLSA-N -1 3 326.404 2.799 20 50 EFGDHM CC(C)[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820039132 945336911 /nfs/dbraw/zinc/33/69/11/945336911.db2.gz WAMLNCSRSQZOPG-AWEZNQCLSA-N -1 3 326.404 2.799 20 50 EFGDHM C[C@@H]1CCC[C@H](CCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736247335 944776737 /nfs/dbraw/zinc/77/67/37/944776737.db2.gz BQHKROGLLJBQPJ-CHWSQXEVSA-N -1 3 343.435 2.709 20 50 EFGDHM C[C@@H]1CCC[C@H](CCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736247335 944776742 /nfs/dbraw/zinc/77/67/42/944776742.db2.gz BQHKROGLLJBQPJ-CHWSQXEVSA-N -1 3 343.435 2.709 20 50 EFGDHM CCCC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736441735 944823004 /nfs/dbraw/zinc/82/30/04/944823004.db2.gz UAWOYMOZCHNGDU-GFCCVEGCSA-N -1 3 326.404 2.943 20 50 EFGDHM CCCC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736441735 944823011 /nfs/dbraw/zinc/82/30/11/944823011.db2.gz UAWOYMOZCHNGDU-GFCCVEGCSA-N -1 3 326.404 2.943 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000737078204 944947977 /nfs/dbraw/zinc/94/79/77/944947977.db2.gz ZBJLZLFPWZOWLN-XYOKQWHBSA-N -1 3 349.325 2.804 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000737078204 944947981 /nfs/dbraw/zinc/94/79/81/944947981.db2.gz ZBJLZLFPWZOWLN-XYOKQWHBSA-N -1 3 349.325 2.804 20 50 EFGDHM C[C@@H]1C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1c1ccccc1 ZINC000820641276 945504534 /nfs/dbraw/zinc/50/45/34/945504534.db2.gz BKDAQLNRPDVBQX-LRDDRELGSA-N -1 3 346.394 2.776 20 50 EFGDHM C[C@@H]1C(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1c1ccccc1 ZINC000820641276 945504545 /nfs/dbraw/zinc/50/45/45/945504545.db2.gz BKDAQLNRPDVBQX-LRDDRELGSA-N -1 3 346.394 2.776 20 50 EFGDHM Cc1cccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822323669 946054614 /nfs/dbraw/zinc/05/46/14/946054614.db2.gz LZZQSCOGKZYWRR-WDZFZDKYSA-N -1 3 336.380 2.782 20 50 EFGDHM Cc1cccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822323669 946054625 /nfs/dbraw/zinc/05/46/25/946054625.db2.gz LZZQSCOGKZYWRR-WDZFZDKYSA-N -1 3 336.380 2.782 20 50 EFGDHM Cc1ccccc1C1CC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822351098 946065387 /nfs/dbraw/zinc/06/53/87/946065387.db2.gz KOPZKWSCQKXSCM-UHFFFAOYSA-N -1 3 346.394 2.839 20 50 EFGDHM Cc1ccccc1C1CC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822351098 946065402 /nfs/dbraw/zinc/06/54/02/946065402.db2.gz KOPZKWSCQKXSCM-UHFFFAOYSA-N -1 3 346.394 2.839 20 50 EFGDHM Cc1ccccc1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822362473 946071005 /nfs/dbraw/zinc/07/10/05/946071005.db2.gz VCVFOQZWHWVESS-IZZDOVSWSA-N -1 3 336.380 2.782 20 50 EFGDHM Cc1ccccc1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822362473 946071019 /nfs/dbraw/zinc/07/10/19/946071019.db2.gz VCVFOQZWHWVESS-IZZDOVSWSA-N -1 3 336.380 2.782 20 50 EFGDHM C[C@@H](CBr)CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001592210965 977258801 /nfs/dbraw/zinc/25/88/01/977258801.db2.gz HZBRCKOYBPISIO-GXFFZTMASA-N -1 3 328.206 2.538 20 50 EFGDHM C[C@@H](CBr)CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001592213424 977272676 /nfs/dbraw/zinc/27/26/76/977272676.db2.gz XMSAOMFPYZXVSO-VIFPVBQESA-N -1 3 331.210 2.583 20 50 EFGDHM C[C@]1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCc2ccccc21 ZINC000824783414 607348095 /nfs/dbraw/zinc/34/80/95/607348095.db2.gz GLDBWXLCLLOFEP-IBGZPJMESA-N -1 3 348.410 2.604 20 50 EFGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000826249675 607400964 /nfs/dbraw/zinc/40/09/64/607400964.db2.gz OEVZXCUYLGBEFI-UHFFFAOYSA-N -1 3 346.753 2.725 20 50 EFGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000826249675 607400966 /nfs/dbraw/zinc/40/09/66/607400966.db2.gz OEVZXCUYLGBEFI-UHFFFAOYSA-N -1 3 346.753 2.725 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1coc2ccccc12 ZINC000823953514 607654608 /nfs/dbraw/zinc/65/46/08/607654608.db2.gz DINFAAMLCFMTJA-UHFFFAOYSA-N -1 3 346.350 2.767 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1coc2ccccc12 ZINC000823953514 607654609 /nfs/dbraw/zinc/65/46/09/607654609.db2.gz DINFAAMLCFMTJA-UHFFFAOYSA-N -1 3 346.350 2.767 20 50 EFGDHM CC(C)(C)c1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824135375 607714446 /nfs/dbraw/zinc/71/44/46/607714446.db2.gz DZKUNRPZCSBNRE-UHFFFAOYSA-N -1 3 336.399 2.921 20 50 EFGDHM CC(C)(C)c1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824135375 607714448 /nfs/dbraw/zinc/71/44/48/607714448.db2.gz DZKUNRPZCSBNRE-UHFFFAOYSA-N -1 3 336.399 2.921 20 50 EFGDHM C[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824385634 607719831 /nfs/dbraw/zinc/71/98/31/607719831.db2.gz YANQDBWBWSHSIG-LLVKDONJSA-N -1 3 340.362 2.643 20 50 EFGDHM C[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824385634 607719833 /nfs/dbraw/zinc/71/98/33/607719833.db2.gz YANQDBWBWSHSIG-LLVKDONJSA-N -1 3 340.362 2.643 20 50 EFGDHM O=C(C=Cc1ccc(Cl)s1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826401145 607723074 /nfs/dbraw/zinc/72/30/74/607723074.db2.gz QOHKKEWNERULRO-FNORWQNLSA-N -1 3 346.803 2.738 20 50 EFGDHM O=C(C=Cc1ccc(Cl)s1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826401145 607723075 /nfs/dbraw/zinc/72/30/75/607723075.db2.gz QOHKKEWNERULRO-FNORWQNLSA-N -1 3 346.803 2.738 20 50 EFGDHM Cn1c(C(C#N)=Cc2ccccc2-c2nnn[n-]2)nc2ccccc21 ZINC000826354987 607883690 /nfs/dbraw/zinc/88/36/90/607883690.db2.gz FJUQLDKHVVZTPW-JLHYYAGUSA-N -1 3 327.351 2.818 20 50 EFGDHM Cn1c(C(C#N)=Cc2ccccc2-c2nn[n-]n2)nc2ccccc21 ZINC000826354987 607883691 /nfs/dbraw/zinc/88/36/91/607883691.db2.gz FJUQLDKHVVZTPW-JLHYYAGUSA-N -1 3 327.351 2.818 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826448060 607908813 /nfs/dbraw/zinc/90/88/13/607908813.db2.gz GMLNVSUEPSIIFJ-GZBFAFLISA-N -1 3 340.431 2.916 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826448060 607908814 /nfs/dbraw/zinc/90/88/14/607908814.db2.gz GMLNVSUEPSIIFJ-GZBFAFLISA-N -1 3 340.431 2.916 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379486 608217870 /nfs/dbraw/zinc/21/78/70/608217870.db2.gz SRLOBHDUUAQLBJ-MKMNVTDBSA-N -1 3 344.309 2.667 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379486 608217872 /nfs/dbraw/zinc/21/78/72/608217872.db2.gz SRLOBHDUUAQLBJ-MKMNVTDBSA-N -1 3 344.309 2.667 20 50 EFGDHM O=C(NNc1ccccc1Cl)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826449127 608812890 /nfs/dbraw/zinc/81/28/90/608812890.db2.gz CQBLZPNXPVBMKG-UHFFFAOYSA-N -1 3 347.741 2.808 20 50 EFGDHM O=C(NNc1ccccc1Cl)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826449127 608812892 /nfs/dbraw/zinc/81/28/92/608812892.db2.gz CQBLZPNXPVBMKG-UHFFFAOYSA-N -1 3 347.741 2.808 20 50 EFGDHM Cc1ccc(NC(=O)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000826291109 609498065 /nfs/dbraw/zinc/49/80/65/609498065.db2.gz PRQRYCRRKBARNZ-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM Cc1ccc(NC(=O)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000826291109 609498067 /nfs/dbraw/zinc/49/80/67/609498067.db2.gz PRQRYCRRKBARNZ-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccsc2)cc1-c1nnn[n-]1 ZINC000737074469 944946254 /nfs/dbraw/zinc/94/62/54/944946254.db2.gz GJHZNHDOMXETIL-WUXMJOGZSA-N -1 3 337.364 2.727 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccsc2)cc1-c1nn[n-]n1 ZINC000737074469 944946270 /nfs/dbraw/zinc/94/62/70/944946270.db2.gz GJHZNHDOMXETIL-WUXMJOGZSA-N -1 3 337.364 2.727 20 50 EFGDHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820648606 945508286 /nfs/dbraw/zinc/50/82/86/945508286.db2.gz CUJWJJWGEHORIE-SMDDNHRTSA-N -1 3 343.435 2.708 20 50 EFGDHM C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820648606 945508291 /nfs/dbraw/zinc/50/82/91/945508291.db2.gz CUJWJJWGEHORIE-SMDDNHRTSA-N -1 3 343.435 2.708 20 50 EFGDHM Cc1ccccc1[C@@H](C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826306459 607337872 /nfs/dbraw/zinc/33/78/72/607337872.db2.gz ZMLAPVNBRITNRC-ZDUSSCGKSA-N -1 3 336.399 2.812 20 50 EFGDHM Cc1ccccc1[C@@H](C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826306459 607337874 /nfs/dbraw/zinc/33/78/74/607337874.db2.gz ZMLAPVNBRITNRC-ZDUSSCGKSA-N -1 3 336.399 2.812 20 50 EFGDHM O=C(C[C@H]1CCc2ccccc2C1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404853 607340785 /nfs/dbraw/zinc/34/07/85/607340785.db2.gz NSAVJVFVAWPNKL-ZDUSSCGKSA-N -1 3 348.410 2.505 20 50 EFGDHM CC(C)=C[C@@H]1[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000824178486 607721610 /nfs/dbraw/zinc/72/16/10/607721610.db2.gz UNMIRVKJUNHTQQ-ZIAGYGMSSA-N -1 3 326.404 2.548 20 50 EFGDHM CC(C)=C[C@@H]1[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000824178486 607721613 /nfs/dbraw/zinc/72/16/13/607721613.db2.gz UNMIRVKJUNHTQQ-ZIAGYGMSSA-N -1 3 326.404 2.548 20 50 EFGDHM O=C(C=Cc1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826400471 607723246 /nfs/dbraw/zinc/72/32/46/607723246.db2.gz ZUZVWWUCMIHGOU-RMKNXTFCSA-N -1 3 340.774 2.677 20 50 EFGDHM O=C(C=Cc1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826400471 607723248 /nfs/dbraw/zinc/72/32/48/607723248.db2.gz ZUZVWWUCMIHGOU-RMKNXTFCSA-N -1 3 340.774 2.677 20 50 EFGDHM CC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(CC)CC ZINC000833636309 605244047 /nfs/dbraw/zinc/24/40/47/605244047.db2.gz NSPHDQXLBSGXKO-CYBMUJFWSA-N -1 3 327.812 2.602 20 50 EFGDHM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000833602420 605260105 /nfs/dbraw/zinc/26/01/05/605260105.db2.gz JJXIRRGHQIZHHZ-AXFHLTTASA-N -1 3 339.823 2.743 20 50 EFGDHM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000833602422 605260214 /nfs/dbraw/zinc/26/02/14/605260214.db2.gz JJXIRRGHQIZHHZ-MXWKQRLJSA-N -1 3 339.823 2.743 20 50 EFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825712358 607883327 /nfs/dbraw/zinc/88/33/27/607883327.db2.gz OYJRCYWZMKFZKD-PTNGSMBKSA-N -1 3 344.378 2.975 20 50 EFGDHM CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825712358 607883328 /nfs/dbraw/zinc/88/33/28/607883328.db2.gz OYJRCYWZMKFZKD-PTNGSMBKSA-N -1 3 344.378 2.975 20 50 EFGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826214951 608214730 /nfs/dbraw/zinc/21/47/30/608214730.db2.gz BQDPYPLIABIWLP-NVNXTCNLSA-N -1 3 331.335 2.665 20 50 EFGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826214951 608214732 /nfs/dbraw/zinc/21/47/32/608214732.db2.gz BQDPYPLIABIWLP-NVNXTCNLSA-N -1 3 331.335 2.665 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826191060 608214999 /nfs/dbraw/zinc/21/49/99/608214999.db2.gz VZRGSCBQEGVFBK-VGOFMYFVSA-N -1 3 349.325 2.804 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826191060 608215000 /nfs/dbraw/zinc/21/50/00/608215000.db2.gz VZRGSCBQEGVFBK-VGOFMYFVSA-N -1 3 349.325 2.804 20 50 EFGDHM CC(C)(C)c1n[nH]cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824135074 608216150 /nfs/dbraw/zinc/21/61/50/608216150.db2.gz APRVTVGMYWEPFH-JYRVWZFOSA-N -1 3 347.382 2.677 20 50 EFGDHM CC(C)(C)c1n[nH]cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824135074 608216151 /nfs/dbraw/zinc/21/61/51/608216151.db2.gz APRVTVGMYWEPFH-JYRVWZFOSA-N -1 3 347.382 2.677 20 50 EFGDHM Cn1ccc2ccc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)cc21 ZINC000826363330 608814648 /nfs/dbraw/zinc/81/46/48/608814648.db2.gz IAANOCKGVYXQPY-UHFFFAOYSA-N -1 3 348.370 2.507 20 50 EFGDHM Cn1ccc2ccc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)cc21 ZINC000826363330 608814650 /nfs/dbraw/zinc/81/46/50/608814650.db2.gz IAANOCKGVYXQPY-UHFFFAOYSA-N -1 3 348.370 2.507 20 50 EFGDHM Cc1cc(Cl)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826267529 609297491 /nfs/dbraw/zinc/29/74/91/609297491.db2.gz JRJQMGWFNTYBKR-UHFFFAOYSA-N -1 3 342.790 2.894 20 50 EFGDHM Cc1cc(C)c(C(=O)N[N-]C(=O)c2ccc3ccccc3n2)cc1C=O ZINC000792764549 1279145353 /nfs/dbraw/zinc/14/53/53/1279145353.db2.gz URVJMHOJBFOFBI-UHFFFAOYSA-N -1 3 347.374 2.739 20 50 EFGDHM N#CC(C#N)=CNc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737670484 945109298 /nfs/dbraw/zinc/10/92/98/945109298.db2.gz CCDGCSRBTSLBCO-UHFFFAOYSA-N -1 3 343.350 2.789 20 50 EFGDHM N#CC(C#N)=CNc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737670484 945109301 /nfs/dbraw/zinc/10/93/01/945109301.db2.gz CCDGCSRBTSLBCO-UHFFFAOYSA-N -1 3 343.350 2.789 20 50 EFGDHM O=C(NN=Cc1csc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000738129690 945204575 /nfs/dbraw/zinc/20/45/75/945204575.db2.gz HKNHZBFASKQBTP-UHFFFAOYSA-N -1 3 348.391 2.845 20 50 EFGDHM O=C(NN=Cc1csc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000738129690 945204582 /nfs/dbraw/zinc/20/45/82/945204582.db2.gz HKNHZBFASKQBTP-UHFFFAOYSA-N -1 3 348.391 2.845 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736732735 944881520 /nfs/dbraw/zinc/88/15/20/944881520.db2.gz PPDKZTNNAHJHIL-PTNGSMBKSA-N -1 3 336.399 2.565 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736732735 944881527 /nfs/dbraw/zinc/88/15/27/944881527.db2.gz PPDKZTNNAHJHIL-PTNGSMBKSA-N -1 3 336.399 2.565 20 50 EFGDHM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737137120 944966155 /nfs/dbraw/zinc/96/61/55/944966155.db2.gz DUGGMVNVKTZRER-GXDHUFHOSA-N -1 3 331.335 2.665 20 50 EFGDHM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737137120 944966160 /nfs/dbraw/zinc/96/61/60/944966160.db2.gz DUGGMVNVKTZRER-GXDHUFHOSA-N -1 3 331.335 2.665 20 50 EFGDHM CCC[C@@H](C)C(CC)=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821016075 945613567 /nfs/dbraw/zinc/61/35/67/945613567.db2.gz VFHYUQVMJILQEL-GFCCVEGCSA-N -1 3 344.419 2.564 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000821569632 945719037 /nfs/dbraw/zinc/71/90/37/945719037.db2.gz QEUVDQYGMUZYBU-NTEUORMPSA-N -1 3 348.341 2.576 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000821569632 945719043 /nfs/dbraw/zinc/71/90/43/945719043.db2.gz QEUVDQYGMUZYBU-NTEUORMPSA-N -1 3 348.341 2.576 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)C2CCCCC2)cc1-c1nnn[n-]1 ZINC000821786829 945865381 /nfs/dbraw/zinc/86/53/81/945865381.db2.gz KFPBUBDJUWAGOR-ZROIWOOFSA-N -1 3 337.383 2.932 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)C2CCCCC2)cc1-c1nn[n-]n1 ZINC000821786829 945865395 /nfs/dbraw/zinc/86/53/95/945865395.db2.gz KFPBUBDJUWAGOR-ZROIWOOFSA-N -1 3 337.383 2.932 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(F)cc1 ZINC000822796454 946185729 /nfs/dbraw/zinc/18/57/29/946185729.db2.gz RMSXUZBFHDQLJE-VQHVLOKHSA-N -1 3 340.343 2.613 20 50 EFGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001573727730 948557572 /nfs/dbraw/zinc/55/75/72/948557572.db2.gz BUPOFWQULOSGSM-LLVKDONJSA-N -1 3 348.366 2.860 20 50 EFGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001573727730 948557578 /nfs/dbraw/zinc/55/75/78/948557578.db2.gz BUPOFWQULOSGSM-LLVKDONJSA-N -1 3 348.366 2.860 20 50 EFGDHM CC(C)c1ccc(NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001574416764 948760289 /nfs/dbraw/zinc/76/02/89/948760289.db2.gz HDCMKPNXBMXKSU-UHFFFAOYSA-N -1 3 336.399 2.676 20 50 EFGDHM CC(C)c1ccc(NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001574416764 948760296 /nfs/dbraw/zinc/76/02/96/948760296.db2.gz HDCMKPNXBMXKSU-UHFFFAOYSA-N -1 3 336.399 2.676 20 50 EFGDHM CCCCc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825296766 607335622 /nfs/dbraw/zinc/33/56/22/607335622.db2.gz VMVPFJSBOSFPJZ-UHFFFAOYSA-N -1 3 336.399 2.966 20 50 EFGDHM CCCCc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825296766 607335624 /nfs/dbraw/zinc/33/56/24/607335624.db2.gz VMVPFJSBOSFPJZ-UHFFFAOYSA-N -1 3 336.399 2.966 20 50 EFGDHM Cc1c2cc(C)ccc2[nH]c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826293557 607344249 /nfs/dbraw/zinc/34/42/49/607344249.db2.gz TXFHJNNYLXHACU-UHFFFAOYSA-N -1 3 347.382 2.722 20 50 EFGDHM O=C(C=Cc1ccc(Cl)s1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826400500 607347266 /nfs/dbraw/zinc/34/72/66/607347266.db2.gz AHNKWEYIKBKAOR-SOFGYWHQSA-N -1 3 346.803 2.738 20 50 EFGDHM CCC=C(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825219268 607395981 /nfs/dbraw/zinc/39/59/81/607395981.db2.gz ISKBFAIRQXEYGT-XBXARRHUSA-N -1 3 340.309 2.685 20 50 EFGDHM CCC=C(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825219268 607395983 /nfs/dbraw/zinc/39/59/83/607395983.db2.gz ISKBFAIRQXEYGT-XBXARRHUSA-N -1 3 340.309 2.685 20 50 EFGDHM CCCC=CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825259213 607396238 /nfs/dbraw/zinc/39/62/38/607396238.db2.gz GXZDUERJVWOUMW-PLNGDYQASA-N -1 3 340.309 2.685 20 50 EFGDHM CCCC=CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825259213 607396240 /nfs/dbraw/zinc/39/62/40/607396240.db2.gz GXZDUERJVWOUMW-PLNGDYQASA-N -1 3 340.309 2.685 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc(Cl)c1 ZINC000826446323 607672336 /nfs/dbraw/zinc/67/23/36/607672336.db2.gz HRAUMEPQAGFCEZ-UHFFFAOYSA-N -1 3 329.751 2.669 20 50 EFGDHM O=C(C[C@@H]1CCc2ccccc2C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405062 607714021 /nfs/dbraw/zinc/71/40/21/607714021.db2.gz UXMMEVZOBJWFHM-CYBMUJFWSA-N -1 3 348.410 2.505 20 50 EFGDHM O=C(C[C@@H]1CCc2ccccc2C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405062 607714023 /nfs/dbraw/zinc/71/40/23/607714023.db2.gz UXMMEVZOBJWFHM-CYBMUJFWSA-N -1 3 348.410 2.505 20 50 EFGDHM Cc1ccc(/C=C/CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285529 607719101 /nfs/dbraw/zinc/71/91/01/607719101.db2.gz BVYKILUUZIABBR-DUXPYHPUSA-N -1 3 334.383 2.722 20 50 EFGDHM Cc1ccc(/C=C/CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285529 607719103 /nfs/dbraw/zinc/71/91/03/607719103.db2.gz BVYKILUUZIABBR-DUXPYHPUSA-N -1 3 334.383 2.722 20 50 EFGDHM O=C(C=CSc1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826399967 607722975 /nfs/dbraw/zinc/72/29/75/607722975.db2.gz LMTXQXODMKWICP-KTKRTIGZSA-N -1 3 338.396 2.616 20 50 EFGDHM O=C(C=CSc1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826399967 607722976 /nfs/dbraw/zinc/72/29/76/607722976.db2.gz LMTXQXODMKWICP-KTKRTIGZSA-N -1 3 338.396 2.616 20 50 EFGDHM COc1ccsc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826221567 608216625 /nfs/dbraw/zinc/21/66/25/608216625.db2.gz KXZNGQZEGRZLAJ-XYOKQWHBSA-N -1 3 337.364 2.727 20 50 EFGDHM COc1ccsc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826221567 608216626 /nfs/dbraw/zinc/21/66/26/608216626.db2.gz KXZNGQZEGRZLAJ-XYOKQWHBSA-N -1 3 337.364 2.727 20 50 EFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826290984 608801936 /nfs/dbraw/zinc/80/19/36/608801936.db2.gz JZLAMRLUVPRJEV-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826290984 608801939 /nfs/dbraw/zinc/80/19/39/608801939.db2.gz JZLAMRLUVPRJEV-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM C[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824866758 609164427 /nfs/dbraw/zinc/16/44/27/609164427.db2.gz NHRLYMTYYHIXGT-YPMHNXCESA-N -1 3 328.420 2.772 20 50 EFGDHM CCCc1ccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736497939 944835480 /nfs/dbraw/zinc/83/54/80/944835480.db2.gz VXYRVGQZASADBF-UHFFFAOYSA-N -1 3 348.410 2.973 20 50 EFGDHM CCCc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736497939 944835495 /nfs/dbraw/zinc/83/54/95/944835495.db2.gz VXYRVGQZASADBF-UHFFFAOYSA-N -1 3 348.410 2.973 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccccc2F)cc1-c1nnn[n-]1 ZINC000737078203 944949252 /nfs/dbraw/zinc/94/92/52/944949252.db2.gz ZBJLZLFPWZOWLN-WQLSENKSSA-N -1 3 349.325 2.804 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccccc2F)cc1-c1nn[n-]n1 ZINC000737078203 944949255 /nfs/dbraw/zinc/94/92/55/944949255.db2.gz ZBJLZLFPWZOWLN-WQLSENKSSA-N -1 3 349.325 2.804 20 50 EFGDHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820648603 945508845 /nfs/dbraw/zinc/50/88/45/945508845.db2.gz CUJWJJWGEHORIE-BXUZGUMPSA-N -1 3 343.435 2.708 20 50 EFGDHM C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820648603 945508856 /nfs/dbraw/zinc/50/88/56/945508856.db2.gz CUJWJJWGEHORIE-BXUZGUMPSA-N -1 3 343.435 2.708 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1F ZINC000822796298 946182146 /nfs/dbraw/zinc/18/21/46/946182146.db2.gz PKWRMMQVJANUKK-CLFYSBASSA-N -1 3 325.328 2.857 20 50 EFGDHM C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1CCCCCC1 ZINC001589423686 986681888 /nfs/dbraw/zinc/68/18/88/986681888.db2.gz PGJIOKIOUKRRIU-NSHDSACASA-N -1 3 339.823 2.746 20 50 EFGDHM Cc1cc(Cl)ccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826267476 607334405 /nfs/dbraw/zinc/33/44/05/607334405.db2.gz HPPUDQGIEWXKHG-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM Cc1cc(Cl)ccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826267476 607334407 /nfs/dbraw/zinc/33/44/07/607334407.db2.gz HPPUDQGIEWXKHG-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000823943934 607351140 /nfs/dbraw/zinc/35/11/40/607351140.db2.gz VKBXBTNOWFANNX-ZHACJKMWSA-N -1 3 338.346 2.552 20 50 EFGDHM O=C(CCc1ccc(Cl)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408533 607355536 /nfs/dbraw/zinc/35/55/36/607355536.db2.gz KOQQQYCLZMELFL-UHFFFAOYSA-N -1 3 342.790 2.596 20 50 EFGDHM O=C(NNc1ccc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826447409 607712145 /nfs/dbraw/zinc/71/21/45/607712145.db2.gz DMZBUFPKIVPDCU-UHFFFAOYSA-N -1 3 349.181 2.930 20 50 EFGDHM O=C(NNc1ccc(Cl)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447409 607712147 /nfs/dbraw/zinc/71/21/47/607712147.db2.gz DMZBUFPKIVPDCU-UHFFFAOYSA-N -1 3 349.181 2.930 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1occc1-c1ccccc1 ZINC000826449425 607718217 /nfs/dbraw/zinc/71/82/17/607718217.db2.gz RRUUTFZUYMAIJT-UHFFFAOYSA-N -1 3 346.350 2.884 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1occc1-c1ccccc1 ZINC000826449425 607718219 /nfs/dbraw/zinc/71/82/19/607718219.db2.gz RRUUTFZUYMAIJT-UHFFFAOYSA-N -1 3 346.350 2.884 20 50 EFGDHM CC(=Cc1ccc(F)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823943660 607720261 /nfs/dbraw/zinc/72/02/61/607720261.db2.gz RCHKKFUJXOOOKD-LUAWRHEFSA-N -1 3 338.346 2.552 20 50 EFGDHM CC(=Cc1ccc(F)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823943660 607720263 /nfs/dbraw/zinc/72/02/63/607720263.db2.gz RCHKKFUJXOOOKD-LUAWRHEFSA-N -1 3 338.346 2.552 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000826448691 607727305 /nfs/dbraw/zinc/72/73/05/607727305.db2.gz HFWFPHXVIGANEA-UHFFFAOYSA-N -1 3 345.366 2.619 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000826448691 607727307 /nfs/dbraw/zinc/72/73/07/607727307.db2.gz HFWFPHXVIGANEA-UHFFFAOYSA-N -1 3 345.366 2.619 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826448063 607908625 /nfs/dbraw/zinc/90/86/25/607908625.db2.gz GMLNVSUEPSIIFJ-VNHYZAJKSA-N -1 3 340.431 2.916 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826448063 607908626 /nfs/dbraw/zinc/90/86/26/607908626.db2.gz GMLNVSUEPSIIFJ-VNHYZAJKSA-N -1 3 340.431 2.916 20 50 EFGDHM COc1cc(C(C#N)=Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826177471 608328800 /nfs/dbraw/zinc/32/88/00/608328800.db2.gz JSVNMEWMXSKFIZ-ZSOIEALJSA-N -1 3 348.322 2.848 20 50 EFGDHM COc1cc(C(C#N)=Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826177471 608328802 /nfs/dbraw/zinc/32/88/02/608328802.db2.gz JSVNMEWMXSKFIZ-ZSOIEALJSA-N -1 3 348.322 2.848 20 50 EFGDHM CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825182974 608750186 /nfs/dbraw/zinc/75/01/86/608750186.db2.gz MUAMLXLBAABZGM-RYUDHWBXSA-N -1 3 326.404 2.799 20 50 EFGDHM CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825182974 608750188 /nfs/dbraw/zinc/75/01/88/608750188.db2.gz MUAMLXLBAABZGM-RYUDHWBXSA-N -1 3 326.404 2.799 20 50 EFGDHM CC(CCC1CCCC1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735983976 944730861 /nfs/dbraw/zinc/73/08/61/944730861.db2.gz ALGFGZMSPYXZLY-UHFFFAOYSA-N -1 3 326.404 2.943 20 50 EFGDHM CC(CCC1CCCC1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735983976 944730867 /nfs/dbraw/zinc/73/08/67/944730867.db2.gz ALGFGZMSPYXZLY-UHFFFAOYSA-N -1 3 326.404 2.943 20 50 EFGDHM C[C@@H]1CCCC[C@@H]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736262149 944779888 /nfs/dbraw/zinc/77/98/88/944779888.db2.gz MOUNVZOVWUFXBX-CHWSQXEVSA-N -1 3 343.435 2.709 20 50 EFGDHM C[C@@H]1CCCC[C@@H]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736262149 944779894 /nfs/dbraw/zinc/77/98/94/944779894.db2.gz MOUNVZOVWUFXBX-CHWSQXEVSA-N -1 3 343.435 2.709 20 50 EFGDHM CC[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736365162 944811109 /nfs/dbraw/zinc/81/11/09/944811109.db2.gz VKFYIVZYKQTRCL-HNNXBMFYSA-N -1 3 343.435 2.852 20 50 EFGDHM CC[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736365162 944811120 /nfs/dbraw/zinc/81/11/20/944811120.db2.gz VKFYIVZYKQTRCL-HNNXBMFYSA-N -1 3 343.435 2.852 20 50 EFGDHM C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000820703751 945530727 /nfs/dbraw/zinc/53/07/27/945530727.db2.gz JZFPONRUFDOLPA-CSCCQICZSA-N -1 3 342.428 2.530 20 50 EFGDHM CCC[C@@H](C)C(CC)=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821015932 945613796 /nfs/dbraw/zinc/61/37/96/945613796.db2.gz TXEXINCDSZIGKV-GFCCVEGCSA-N -1 3 344.419 2.564 20 50 EFGDHM CCC[C@@H](C)C(CC)=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821015932 945613803 /nfs/dbraw/zinc/61/38/03/945613803.db2.gz TXEXINCDSZIGKV-GFCCVEGCSA-N -1 3 344.419 2.564 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000821569370 945718797 /nfs/dbraw/zinc/71/87/97/945718797.db2.gz IBXONZBCHWKNRV-YRNVUSSQSA-N -1 3 342.428 2.626 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000821569370 945718800 /nfs/dbraw/zinc/71/88/00/945718800.db2.gz IBXONZBCHWKNRV-YRNVUSSQSA-N -1 3 342.428 2.626 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821854661 945884947 /nfs/dbraw/zinc/88/49/47/945884947.db2.gz QTHJCVFPTYUPHO-WDZFZDKYSA-N -1 3 337.364 2.727 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821854661 945884961 /nfs/dbraw/zinc/88/49/61/945884961.db2.gz QTHJCVFPTYUPHO-WDZFZDKYSA-N -1 3 337.364 2.727 20 50 EFGDHM Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nn[n-]n4)cc3F)nc21 ZINC000822380150 946077743 /nfs/dbraw/zinc/07/77/43/946077743.db2.gz ZHRDJSYCOLODHH-SDQBBNPISA-N -1 3 346.329 2.650 20 50 EFGDHM Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822596502 946133037 /nfs/dbraw/zinc/13/30/37/946133037.db2.gz MWNRPQHGMFUOQZ-CSKARUKUSA-N -1 3 333.380 2.879 20 50 EFGDHM O=C(NN(c1ccccc1)c1ccccc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823269430 946363340 /nfs/dbraw/zinc/36/33/40/946363340.db2.gz GIOIDDGQZZLMAQ-UHFFFAOYSA-N -1 3 345.366 2.678 20 50 EFGDHM O=C(NN(c1ccccc1)c1ccccc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823269430 946363352 /nfs/dbraw/zinc/36/33/52/946363352.db2.gz GIOIDDGQZZLMAQ-UHFFFAOYSA-N -1 3 345.366 2.678 20 50 EFGDHM C[C@H](CBr)CN1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001592210971 977258484 /nfs/dbraw/zinc/25/84/84/977258484.db2.gz HZBRCKOYBPISIO-ZWNOBZJWSA-N -1 3 328.206 2.538 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1occc1-c1ccccc1 ZINC000826447373 607343786 /nfs/dbraw/zinc/34/37/86/607343786.db2.gz BXSNDYUFQCJCKL-UHFFFAOYSA-N -1 3 346.350 2.884 20 50 EFGDHM Cc1cc(Cl)cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826267763 607348010 /nfs/dbraw/zinc/34/80/10/607348010.db2.gz VPRCTSZRJVLIDC-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM CCSc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825673764 607352776 /nfs/dbraw/zinc/35/27/76/607352776.db2.gz AVVQMOGQYOGAKX-UHFFFAOYSA-N -1 3 340.412 2.736 20 50 EFGDHM Cc1cc(C)c(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826262918 607352801 /nfs/dbraw/zinc/35/28/01/607352801.db2.gz CUZOEUIWCSRQEO-TWGQIWQCSA-N -1 3 348.410 2.948 20 50 EFGDHM O=C(C[C@@H]1CCCc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826405259 607356664 /nfs/dbraw/zinc/35/66/64/607356664.db2.gz ZUYCUVUEWQVEBF-HNNXBMFYSA-N -1 3 348.410 2.820 20 50 EFGDHM Cc1ccc(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826287531 607719131 /nfs/dbraw/zinc/71/91/31/607719131.db2.gz SLYXLBGHGGECIP-UHFFFAOYSA-N -1 3 336.399 2.641 20 50 EFGDHM Cc1ccc(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826287531 607719133 /nfs/dbraw/zinc/71/91/33/607719133.db2.gz SLYXLBGHGGECIP-UHFFFAOYSA-N -1 3 336.399 2.641 20 50 EFGDHM CCSc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825674365 607731551 /nfs/dbraw/zinc/73/15/51/607731551.db2.gz KLJFENOENMIZJB-UHFFFAOYSA-N -1 3 340.412 2.736 20 50 EFGDHM CCSc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825674365 607731553 /nfs/dbraw/zinc/73/15/53/607731553.db2.gz KLJFENOENMIZJB-UHFFFAOYSA-N -1 3 340.412 2.736 20 50 EFGDHM CC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000824137221 607882568 /nfs/dbraw/zinc/88/25/68/607882568.db2.gz YVYRUAWKOFODKT-UHFFFAOYSA-N -1 3 348.410 2.928 20 50 EFGDHM CC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000824137221 607882569 /nfs/dbraw/zinc/88/25/69/607882569.db2.gz YVYRUAWKOFODKT-UHFFFAOYSA-N -1 3 348.410 2.928 20 50 EFGDHM N#CC(=Cc1c(F)cccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379171 608213571 /nfs/dbraw/zinc/21/35/71/608213571.db2.gz KVUNAXBSVVWVSQ-XYOKQWHBSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1c(F)cccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379171 608213572 /nfs/dbraw/zinc/21/35/72/608213572.db2.gz KVUNAXBSVVWVSQ-XYOKQWHBSA-N -1 3 337.289 2.935 20 50 EFGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826214952 608214668 /nfs/dbraw/zinc/21/46/68/608214668.db2.gz BQDPYPLIABIWLP-OVCLIPMQSA-N -1 3 331.335 2.665 20 50 EFGDHM COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826214952 608214670 /nfs/dbraw/zinc/21/46/70/608214670.db2.gz BQDPYPLIABIWLP-OVCLIPMQSA-N -1 3 331.335 2.665 20 50 EFGDHM N#CC(=Cc1ccc(F)c(C#N)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378955 608216944 /nfs/dbraw/zinc/21/69/44/608216944.db2.gz FUOKLLQYRWRQCB-VIZOYTHASA-N -1 3 344.309 2.667 20 50 EFGDHM N#CC(=Cc1ccc(F)c(C#N)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378955 608216947 /nfs/dbraw/zinc/21/69/47/608216947.db2.gz FUOKLLQYRWRQCB-VIZOYTHASA-N -1 3 344.309 2.667 20 50 EFGDHM CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825182973 608750430 /nfs/dbraw/zinc/75/04/30/608750430.db2.gz MUAMLXLBAABZGM-NWDGAFQWSA-N -1 3 326.404 2.799 20 50 EFGDHM CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825182973 608750432 /nfs/dbraw/zinc/75/04/32/608750432.db2.gz MUAMLXLBAABZGM-NWDGAFQWSA-N -1 3 326.404 2.799 20 50 EFGDHM Cc1cc(C)c(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263497 608801773 /nfs/dbraw/zinc/80/17/73/608801773.db2.gz DTWBYURZILFUNT-UHFFFAOYSA-N -1 3 337.387 2.941 20 50 EFGDHM Cc1cc(C)c(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263497 608801778 /nfs/dbraw/zinc/80/17/78/608801778.db2.gz DTWBYURZILFUNT-UHFFFAOYSA-N -1 3 337.387 2.941 20 50 EFGDHM Cc1c(Cl)cccc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826236926 608802322 /nfs/dbraw/zinc/80/23/22/608802322.db2.gz HKEPBXANAJIMIL-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM Cc1c(Cl)cccc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826236926 608802323 /nfs/dbraw/zinc/80/23/23/608802323.db2.gz HKEPBXANAJIMIL-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM Cc1ccc(Cl)cc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826289411 608805070 /nfs/dbraw/zinc/80/50/70/608805070.db2.gz YYFXXERJYFZTTR-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM Cc1ccc(Cl)cc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826289411 608805073 /nfs/dbraw/zinc/80/50/73/608805073.db2.gz YYFXXERJYFZTTR-UHFFFAOYSA-N -1 3 343.778 2.977 20 50 EFGDHM C[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864977 609164268 /nfs/dbraw/zinc/16/42/68/609164268.db2.gz GLBBYDYBZQPLQI-DGCLKSJQSA-N -1 3 328.420 2.772 20 50 EFGDHM C[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824864977 609164270 /nfs/dbraw/zinc/16/42/70/609164270.db2.gz GLBBYDYBZQPLQI-DGCLKSJQSA-N -1 3 328.420 2.772 20 50 EFGDHM CC(C)(C)c1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735648494 944683494 /nfs/dbraw/zinc/68/34/94/944683494.db2.gz GUNQMEAKKUSKKX-UHFFFAOYSA-N -1 3 348.410 2.928 20 50 EFGDHM CC(C)(C)c1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735648494 944683498 /nfs/dbraw/zinc/68/34/98/944683498.db2.gz GUNQMEAKKUSKKX-UHFFFAOYSA-N -1 3 348.410 2.928 20 50 EFGDHM CC(C)[C@H]1CCCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735749625 944696478 /nfs/dbraw/zinc/69/64/78/944696478.db2.gz NTNXQRXKMBMIEN-HUUCEWRRSA-N -1 3 343.435 2.708 20 50 EFGDHM CC(C)[C@H]1CCCC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000735749625 944696482 /nfs/dbraw/zinc/69/64/82/944696482.db2.gz NTNXQRXKMBMIEN-HUUCEWRRSA-N -1 3 343.435 2.708 20 50 EFGDHM CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000736303076 944791375 /nfs/dbraw/zinc/79/13/75/944791375.db2.gz HTFNJTWWSJKRGZ-UHFFFAOYSA-N -1 3 326.404 2.943 20 50 EFGDHM CCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000736303076 944791380 /nfs/dbraw/zinc/79/13/80/944791380.db2.gz HTFNJTWWSJKRGZ-UHFFFAOYSA-N -1 3 326.404 2.943 20 50 EFGDHM CC[C@H](C(=O)NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC000820843417 945570324 /nfs/dbraw/zinc/57/03/24/945570324.db2.gz YPDCZIBNNUAQCM-AWEZNQCLSA-N -1 3 340.412 2.572 20 50 EFGDHM CC[C@H](C(=O)NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC000820843417 945570328 /nfs/dbraw/zinc/57/03/28/945570328.db2.gz YPDCZIBNNUAQCM-AWEZNQCLSA-N -1 3 340.412 2.572 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1)C1CCCCC1 ZINC000821569575 945718489 /nfs/dbraw/zinc/71/84/89/945718489.db2.gz OOYPZAYDPGLRQX-LUAWRHEFSA-N -1 3 342.428 2.626 20 50 EFGDHM Cc1ccccc1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822362474 946070188 /nfs/dbraw/zinc/07/01/88/946070188.db2.gz VCVFOQZWHWVESS-WDZFZDKYSA-N -1 3 336.380 2.782 20 50 EFGDHM Cc1ccccc1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822362474 946070200 /nfs/dbraw/zinc/07/02/00/946070200.db2.gz VCVFOQZWHWVESS-WDZFZDKYSA-N -1 3 336.380 2.782 20 50 EFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccccc1F ZINC000822795618 946174235 /nfs/dbraw/zinc/17/42/35/946174235.db2.gz DDLJOOOGTUMWSS-WEVVVXLNSA-N -1 3 325.328 2.857 20 50 EFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccccc1F ZINC000822795618 946174242 /nfs/dbraw/zinc/17/42/42/946174242.db2.gz DDLJOOOGTUMWSS-WEVVVXLNSA-N -1 3 325.328 2.857 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccc(F)cc1 ZINC000822796080 946180472 /nfs/dbraw/zinc/18/04/72/946180472.db2.gz LXSZQZUGBYEJQE-QPEQYQDCSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccc(F)cc1 ZINC000822796080 946180478 /nfs/dbraw/zinc/18/04/78/946180478.db2.gz LXSZQZUGBYEJQE-QPEQYQDCSA-N -1 3 337.289 2.935 20 50 EFGDHM O=C(NN=C[C@@H]1CCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000823269817 946367078 /nfs/dbraw/zinc/36/70/78/946367078.db2.gz POGIQUJWZPWCEZ-INIZCTEOSA-N -1 3 346.394 2.702 20 50 EFGDHM O=C(NN=C[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823269817 946367089 /nfs/dbraw/zinc/36/70/89/946367089.db2.gz POGIQUJWZPWCEZ-INIZCTEOSA-N -1 3 346.394 2.702 20 50 EFGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2c1 ZINC000823273764 946388454 /nfs/dbraw/zinc/38/84/54/946388454.db2.gz XCDSORUCEZVDCP-UHFFFAOYSA-N -1 3 348.391 2.845 20 50 EFGDHM CC(C)c1ccc(NNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC001574418538 948780420 /nfs/dbraw/zinc/78/04/20/948780420.db2.gz XXPMYOVTZLYPSW-UHFFFAOYSA-N -1 3 328.401 2.809 20 50 EFGDHM CC(C)c1ccc(NNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC001574418538 948780434 /nfs/dbraw/zinc/78/04/34/948780434.db2.gz XXPMYOVTZLYPSW-UHFFFAOYSA-N -1 3 328.401 2.809 20 50 EFGDHM CC(C)CC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000824235365 607344869 /nfs/dbraw/zinc/34/48/69/607344869.db2.gz GLONOWCHUXTWGV-UHFFFAOYSA-N -1 3 328.420 2.916 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccccc2)CCC1 ZINC000826446328 607347283 /nfs/dbraw/zinc/34/72/83/607347283.db2.gz HYBPHRIYHQGRQA-UHFFFAOYSA-N -1 3 348.410 2.723 20 50 EFGDHM CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824185361 607347641 /nfs/dbraw/zinc/34/76/41/607347641.db2.gz XCTIBTCIRNLTRL-MRXNPFEDSA-N -1 3 336.399 2.750 20 50 EFGDHM C[C@H](CCC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824400626 607560862 /nfs/dbraw/zinc/56/08/62/607560862.db2.gz JLBMPGRQGNGVCE-CYBMUJFWSA-N -1 3 336.399 2.894 20 50 EFGDHM C[C@H](CCC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824400626 607560863 /nfs/dbraw/zinc/56/08/63/607560863.db2.gz JLBMPGRQGNGVCE-CYBMUJFWSA-N -1 3 336.399 2.894 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)Nc1cccc2cccnc21 ZINC000826446547 607672373 /nfs/dbraw/zinc/67/23/73/607672373.db2.gz PUAPLSFGYGTTQX-UHFFFAOYSA-N -1 3 346.354 2.564 20 50 EFGDHM CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N(CC)CC ZINC000833636310 605243952 /nfs/dbraw/zinc/24/39/52/605243952.db2.gz NSPHDQXLBSGXKO-ZDUSSCGKSA-N -1 3 327.812 2.602 20 50 EFGDHM C[C@H](NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824471162 607883231 /nfs/dbraw/zinc/88/32/31/607883231.db2.gz OSPODMXGNKBLFM-XDUBLRSXSA-N -1 3 344.378 2.651 20 50 EFGDHM C[C@H](NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824471162 607883232 /nfs/dbraw/zinc/88/32/32/607883232.db2.gz OSPODMXGNKBLFM-XDUBLRSXSA-N -1 3 344.378 2.651 20 50 EFGDHM N#CC(=Cc1cc(F)ccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379034 608216907 /nfs/dbraw/zinc/21/69/07/608216907.db2.gz HNSVWODNCKCDLE-QPEQYQDCSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1cc(F)ccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379034 608216909 /nfs/dbraw/zinc/21/69/09/608216909.db2.gz HNSVWODNCKCDLE-QPEQYQDCSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccsc1 ZINC000826378854 608877187 /nfs/dbraw/zinc/87/71/87/608877187.db2.gz BWMJLTXKBLTQKX-WZUFQYTHSA-N -1 3 325.328 2.857 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccsc1 ZINC000826378854 608877191 /nfs/dbraw/zinc/87/71/91/608877191.db2.gz BWMJLTXKBLTQKX-WZUFQYTHSA-N -1 3 325.328 2.857 20 50 EFGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H](C)c1ccccc1 ZINC000819772564 945284178 /nfs/dbraw/zinc/28/41/78/945284178.db2.gz GOPJITPNYSMOTJ-GFCCVEGCSA-N -1 3 334.383 2.776 20 50 EFGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H](C)c1ccccc1 ZINC000819772564 945284185 /nfs/dbraw/zinc/28/41/85/945284185.db2.gz GOPJITPNYSMOTJ-GFCCVEGCSA-N -1 3 334.383 2.776 20 50 EFGDHM C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000735398601 944645223 /nfs/dbraw/zinc/64/52/23/944645223.db2.gz KPRLFSNMTLDRNI-CYBMUJFWSA-N -1 3 336.399 2.885 20 50 EFGDHM C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000735398601 944645232 /nfs/dbraw/zinc/64/52/32/944645232.db2.gz KPRLFSNMTLDRNI-CYBMUJFWSA-N -1 3 336.399 2.885 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735450788 944658651 /nfs/dbraw/zinc/65/86/51/944658651.db2.gz DHBIYHOJUQOMPT-UHFFFAOYSA-N -1 3 340.774 2.674 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735450788 944658655 /nfs/dbraw/zinc/65/86/55/944658655.db2.gz DHBIYHOJUQOMPT-UHFFFAOYSA-N -1 3 340.774 2.674 20 50 EFGDHM CC1(C)CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000736203783 944759964 /nfs/dbraw/zinc/75/99/64/944759964.db2.gz CYRYKVMDIUELQH-UHFFFAOYSA-N -1 3 346.394 2.682 20 50 EFGDHM CC1(C)CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000736203783 944759972 /nfs/dbraw/zinc/75/99/72/944759972.db2.gz CYRYKVMDIUELQH-UHFFFAOYSA-N -1 3 346.394 2.682 20 50 EFGDHM CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C)cc1 ZINC000736301798 944791135 /nfs/dbraw/zinc/79/11/35/944791135.db2.gz BQEGFPMLAZLHOW-UHFFFAOYSA-N -1 3 334.383 2.719 20 50 EFGDHM CCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C)cc1 ZINC000736301798 944791140 /nfs/dbraw/zinc/79/11/40/944791140.db2.gz BQEGFPMLAZLHOW-UHFFFAOYSA-N -1 3 334.383 2.719 20 50 EFGDHM CCCC(Cc1ccccc1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736427125 944816938 /nfs/dbraw/zinc/81/69/38/944816938.db2.gz UHLJLTSUESHYHD-UHFFFAOYSA-N -1 3 348.410 2.995 20 50 EFGDHM CCCC(Cc1ccccc1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736427125 944816943 /nfs/dbraw/zinc/81/69/43/944816943.db2.gz UHLJLTSUESHYHD-UHFFFAOYSA-N -1 3 348.410 2.995 20 50 EFGDHM Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nnn[n-]4)s3)nc21 ZINC000822378982 946077658 /nfs/dbraw/zinc/07/76/58/946077658.db2.gz ILNQZJACYRENMX-RMKNXTFCSA-N -1 3 334.368 2.572 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822795828 946177804 /nfs/dbraw/zinc/17/78/04/946177804.db2.gz HVFRLWJJMBQCNS-QPEQYQDCSA-N -1 3 336.286 2.978 20 50 EFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822795828 946177812 /nfs/dbraw/zinc/17/78/12/946177812.db2.gz HVFRLWJJMBQCNS-QPEQYQDCSA-N -1 3 336.286 2.978 20 50 EFGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc(-c2ccccc2)no1 ZINC000826379391 948172086 /nfs/dbraw/zinc/17/20/86/948172086.db2.gz QNZURCFQBVEGRM-UVTDQMKNSA-N -1 3 341.334 2.981 20 50 EFGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc(-c2ccccc2)no1 ZINC000826379391 948172090 /nfs/dbraw/zinc/17/20/90/948172090.db2.gz QNZURCFQBVEGRM-UVTDQMKNSA-N -1 3 341.334 2.981 20 50 EFGDHM C[C@@H](CBr)CN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001592210959 977259029 /nfs/dbraw/zinc/25/90/29/977259029.db2.gz HZBRCKOYBPISIO-GWCFXTLKSA-N -1 3 328.206 2.538 20 50 EFGDHM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1CCCCCC1 ZINC001589423685 986681939 /nfs/dbraw/zinc/68/19/39/986681939.db2.gz PGJIOKIOUKRRIU-LLVKDONJSA-N -1 3 339.823 2.746 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000826446661 607354614 /nfs/dbraw/zinc/35/46/14/607354614.db2.gz UBZHYNXPUGLVHM-GJZGRUSLSA-N -1 3 326.404 2.526 20 50 EFGDHM C[C@H](CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400653 607560528 /nfs/dbraw/zinc/56/05/28/607560528.db2.gz JSADAPRQMISVJJ-CYBMUJFWSA-N -1 3 336.399 2.894 20 50 EFGDHM CCc1ccc([C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825703946 607717153 /nfs/dbraw/zinc/71/71/53/607717153.db2.gz AJZJGYBGKUYTFS-LBPRGKRZSA-N -1 3 336.399 2.676 20 50 EFGDHM CCc1ccc([C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825703946 607717155 /nfs/dbraw/zinc/71/71/55/607717155.db2.gz AJZJGYBGKUYTFS-LBPRGKRZSA-N -1 3 336.399 2.676 20 50 EFGDHM C[C@@H](CC=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824400391 607888437 /nfs/dbraw/zinc/88/84/37/607888437.db2.gz GWPISWRMNRRVAQ-ZDUSSCGKSA-N -1 3 334.383 2.776 20 50 EFGDHM C[C@@H](CC=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824400391 607888438 /nfs/dbraw/zinc/88/84/38/607888438.db2.gz GWPISWRMNRRVAQ-ZDUSSCGKSA-N -1 3 334.383 2.776 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccoc2)c1 ZINC000826446856 608031723 /nfs/dbraw/zinc/03/17/23/608031723.db2.gz BITUJVWBTCPIHY-UHFFFAOYSA-N -1 3 346.350 2.884 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc2c1CCCC2 ZINC000826448492 608803540 /nfs/dbraw/zinc/80/35/40/608803540.db2.gz XXBOVUGMWWCCIZ-UHFFFAOYSA-N -1 3 349.398 2.894 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc2c1CCCC2 ZINC000826448492 608803542 /nfs/dbraw/zinc/80/35/42/608803542.db2.gz XXBOVUGMWWCCIZ-UHFFFAOYSA-N -1 3 349.398 2.894 20 50 EFGDHM Cc1cc(C)c(C(=O)NN=c2ccc(C(F)(F)F)n[n-]2)cc1C=O ZINC000793723543 1279823174 /nfs/dbraw/zinc/82/31/74/1279823174.db2.gz AKATUTOSBYDQBS-UHFFFAOYSA-N -1 3 338.289 2.682 20 50 EFGDHM C[C@@H](CCC(C)(C)C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000735985404 944730487 /nfs/dbraw/zinc/73/04/87/944730487.db2.gz KSBHBJPXKNWXJY-NSHDSACASA-N -1 3 331.424 2.708 20 50 EFGDHM C[C@@H](CCC(C)(C)C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000735985404 944730497 /nfs/dbraw/zinc/73/04/97/944730497.db2.gz KSBHBJPXKNWXJY-NSHDSACASA-N -1 3 331.424 2.708 20 50 EFGDHM CC(CCc1ccccc1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735992339 944733026 /nfs/dbraw/zinc/73/30/26/944733026.db2.gz CKRHOFHFZOAMIL-UHFFFAOYSA-N -1 3 334.383 2.605 20 50 EFGDHM CC(CCc1ccccc1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735992339 944733028 /nfs/dbraw/zinc/73/30/28/944733028.db2.gz CKRHOFHFZOAMIL-UHFFFAOYSA-N -1 3 334.383 2.605 20 50 EFGDHM CCC[C@H](C)C(CC)=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821015933 945613463 /nfs/dbraw/zinc/61/34/63/945613463.db2.gz TXEXINCDSZIGKV-LBPRGKRZSA-N -1 3 344.419 2.564 20 50 EFGDHM CCC[C@H](C)C(CC)=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821015933 945613469 /nfs/dbraw/zinc/61/34/69/945613469.db2.gz TXEXINCDSZIGKV-LBPRGKRZSA-N -1 3 344.419 2.564 20 50 EFGDHM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822361892 946069816 /nfs/dbraw/zinc/06/98/16/946069816.db2.gz KDFVJVAVBKLPRJ-RIYZIHGNSA-N -1 3 348.341 2.860 20 50 EFGDHM Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822361892 946069826 /nfs/dbraw/zinc/06/98/26/946069826.db2.gz KDFVJVAVBKLPRJ-RIYZIHGNSA-N -1 3 348.341 2.860 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)c1ccccc1F ZINC000822795535 946173873 /nfs/dbraw/zinc/17/38/73/946173873.db2.gz CCTODAJNMPHFFB-KPKJPENVSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)c1ccccc1F ZINC000822795535 946173880 /nfs/dbraw/zinc/17/38/80/946173880.db2.gz CCTODAJNMPHFFB-KPKJPENVSA-N -1 3 337.289 2.935 20 50 EFGDHM C[C@H](CBr)CN1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001592210968 977258869 /nfs/dbraw/zinc/25/88/69/977258869.db2.gz HZBRCKOYBPISIO-MFKMUULPSA-N -1 3 328.206 2.538 20 50 EFGDHM CCc1ccc([C@@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825703945 607717270 /nfs/dbraw/zinc/71/72/70/607717270.db2.gz AJZJGYBGKUYTFS-GFCCVEGCSA-N -1 3 336.399 2.676 20 50 EFGDHM CCc1ccc([C@@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825703945 607717271 /nfs/dbraw/zinc/71/72/71/607717271.db2.gz AJZJGYBGKUYTFS-GFCCVEGCSA-N -1 3 336.399 2.676 20 50 EFGDHM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1[C@H](C)CC[C@H]1C ZINC000833602421 605260163 /nfs/dbraw/zinc/26/01/63/605260163.db2.gz JJXIRRGHQIZHHZ-GMTAPVOTSA-N -1 3 339.823 2.743 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826213858 607915693 /nfs/dbraw/zinc/91/56/93/607915693.db2.gz PGHCBIIUZIWGJV-NTUHNPAUSA-N -1 3 349.325 2.804 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826213858 607915694 /nfs/dbraw/zinc/91/56/94/607915694.db2.gz PGHCBIIUZIWGJV-NTUHNPAUSA-N -1 3 349.325 2.804 20 50 EFGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000826299055 607915902 /nfs/dbraw/zinc/91/59/02/607915902.db2.gz PHEQPKPOOAJHEH-JYRVWZFOSA-N -1 3 348.341 2.860 20 50 EFGDHM Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000826299055 607915903 /nfs/dbraw/zinc/91/59/03/607915903.db2.gz PHEQPKPOOAJHEH-JYRVWZFOSA-N -1 3 348.341 2.860 20 50 EFGDHM O=C(NNc1ccccc1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449275 608078387 /nfs/dbraw/zinc/07/83/87/608078387.db2.gz JSDASLWNCSNDNW-UHFFFAOYSA-N -1 3 329.751 2.669 20 50 EFGDHM O=C(NNc1ccccc1)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449275 608078388 /nfs/dbraw/zinc/07/83/88/608078388.db2.gz JSDASLWNCSNDNW-UHFFFAOYSA-N -1 3 329.751 2.669 20 50 EFGDHM CC(C)(C)c1n[nH]cc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824135083 608216004 /nfs/dbraw/zinc/21/60/04/608216004.db2.gz APRVTVGMYWEPFH-MDWZMJQESA-N -1 3 347.382 2.677 20 50 EFGDHM CC(C)(C)c1n[nH]cc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824135083 608216006 /nfs/dbraw/zinc/21/60/06/608216006.db2.gz APRVTVGMYWEPFH-MDWZMJQESA-N -1 3 347.382 2.677 20 50 EFGDHM N#CC(=Cc1ccccc1C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379654 608217725 /nfs/dbraw/zinc/21/77/25/608217725.db2.gz YFUJUPZMMPUJCG-LZYBPNLTSA-N -1 3 326.319 2.528 20 50 EFGDHM N#CC(=Cc1ccccc1C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379654 608217727 /nfs/dbraw/zinc/21/77/27/608217727.db2.gz YFUJUPZMMPUJCG-LZYBPNLTSA-N -1 3 326.319 2.528 20 50 EFGDHM N#CC(=Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379014 608219196 /nfs/dbraw/zinc/21/91/96/608219196.db2.gz HCNWWPZKUTULQT-PXNMLYILSA-N -1 3 326.319 2.528 20 50 EFGDHM N#CC(=Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379014 608219198 /nfs/dbraw/zinc/21/91/98/608219198.db2.gz HCNWWPZKUTULQT-PXNMLYILSA-N -1 3 326.319 2.528 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000826446711 608244555 /nfs/dbraw/zinc/24/45/55/608244555.db2.gz VPYOBRCYGVDHAA-INIZCTEOSA-N -1 3 334.383 2.504 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(F)cc(Cl)c1 ZINC000826448166 608817615 /nfs/dbraw/zinc/81/76/15/608817615.db2.gz KSGIYCCELQTFLM-UHFFFAOYSA-N -1 3 347.741 2.808 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(F)cc(Cl)c1 ZINC000826448166 608817618 /nfs/dbraw/zinc/81/76/18/608817618.db2.gz KSGIYCCELQTFLM-UHFFFAOYSA-N -1 3 347.741 2.808 20 50 EFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1ccccc1 ZINC000826446305 609497560 /nfs/dbraw/zinc/49/75/60/609497560.db2.gz GWTQXDRRDUJYDN-UHFFFAOYSA-N -1 3 329.751 2.669 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1ccccc1 ZINC000826446305 609497562 /nfs/dbraw/zinc/49/75/62/609497562.db2.gz GWTQXDRRDUJYDN-UHFFFAOYSA-N -1 3 329.751 2.669 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821854714 945885146 /nfs/dbraw/zinc/88/51/46/945885146.db2.gz SJMVZVMQOKKACV-VGOFMYFVSA-N -1 3 349.325 2.804 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821854714 945885151 /nfs/dbraw/zinc/88/51/51/945885151.db2.gz SJMVZVMQOKKACV-VGOFMYFVSA-N -1 3 349.325 2.804 20 50 EFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)OC1CCCCC1 ZINC000822796705 946187939 /nfs/dbraw/zinc/18/79/39/946187939.db2.gz WMCGPFUBVUETMY-UXBLZVDNSA-N -1 3 329.385 2.711 20 50 EFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)OC1CCCCC1 ZINC000822796705 946187950 /nfs/dbraw/zinc/18/79/50/946187950.db2.gz WMCGPFUBVUETMY-UXBLZVDNSA-N -1 3 329.385 2.711 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826446660 607354774 /nfs/dbraw/zinc/35/47/74/607354774.db2.gz UBZHYNXPUGLVHM-CABCVRRESA-N -1 3 326.404 2.526 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)(F)F)c1 ZINC000826448933 607718228 /nfs/dbraw/zinc/71/82/28/607718228.db2.gz SYVLABOFGXLGJY-UHFFFAOYSA-N -1 3 348.288 2.642 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000826448933 607718231 /nfs/dbraw/zinc/71/82/31/607718231.db2.gz SYVLABOFGXLGJY-UHFFFAOYSA-N -1 3 348.288 2.642 20 50 EFGDHM O=C(C=Cc1ccc(Cl)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826400472 607723263 /nfs/dbraw/zinc/72/32/63/607723263.db2.gz ZUZVWWUCMIHGOU-TWGQIWQCSA-N -1 3 340.774 2.677 20 50 EFGDHM O=C(C=Cc1ccc(Cl)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826400472 607723264 /nfs/dbraw/zinc/72/32/64/607723264.db2.gz ZUZVWWUCMIHGOU-TWGQIWQCSA-N -1 3 340.774 2.677 20 50 EFGDHM CC1(C)CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824801763 607756159 /nfs/dbraw/zinc/75/61/59/607756159.db2.gz IPVWCFZDRZTZEU-CYBMUJFWSA-N -1 3 328.420 2.916 20 50 EFGDHM CC1(C)CCC(=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824795774 607756345 /nfs/dbraw/zinc/75/63/45/607756345.db2.gz DFFLPUXTARNVKR-UHFFFAOYSA-N -1 3 326.404 2.836 20 50 EFGDHM C[C@@H](CC=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824402078 607887289 /nfs/dbraw/zinc/88/72/89/607887289.db2.gz UAMNNFFRILRLSW-ZDUSSCGKSA-N -1 3 334.383 2.776 20 50 EFGDHM C[C@@H](CC=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824402078 607887290 /nfs/dbraw/zinc/88/72/90/607887290.db2.gz UAMNNFFRILRLSW-ZDUSSCGKSA-N -1 3 334.383 2.776 20 50 EFGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)c1cccc(C#N)c1 ZINC000826379059 608217127 /nfs/dbraw/zinc/21/71/27/608217127.db2.gz ICMXBXCIZODGGX-DHDCSXOGSA-N -1 3 326.319 2.528 20 50 EFGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)c1cccc(C#N)c1 ZINC000826379059 608217128 /nfs/dbraw/zinc/21/71/28/608217128.db2.gz ICMXBXCIZODGGX-DHDCSXOGSA-N -1 3 326.319 2.528 20 50 EFGDHM N#CC(=Cc1nc(Cl)cs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379539 608217578 /nfs/dbraw/zinc/21/75/78/608217578.db2.gz UZYSKXYWAYNHIR-BJMVGYQFSA-N -1 3 342.771 2.766 20 50 EFGDHM N#CC(=Cc1nc(Cl)cs1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379539 608217579 /nfs/dbraw/zinc/21/75/79/608217579.db2.gz UZYSKXYWAYNHIR-BJMVGYQFSA-N -1 3 342.771 2.766 20 50 EFGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379143 608219712 /nfs/dbraw/zinc/21/97/12/608219712.db2.gz KAYCIAAYZBKGNC-LZYBPNLTSA-N -1 3 326.319 2.528 20 50 EFGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379143 608219713 /nfs/dbraw/zinc/21/97/13/608219713.db2.gz KAYCIAAYZBKGNC-LZYBPNLTSA-N -1 3 326.319 2.528 20 50 EFGDHM CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825182975 608750463 /nfs/dbraw/zinc/75/04/63/608750463.db2.gz MUAMLXLBAABZGM-VXGBXAGGSA-N -1 3 326.404 2.799 20 50 EFGDHM CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825182975 608750466 /nfs/dbraw/zinc/75/04/66/608750466.db2.gz MUAMLXLBAABZGM-VXGBXAGGSA-N -1 3 326.404 2.799 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H](C)c1ccccc1 ZINC000819772795 945284156 /nfs/dbraw/zinc/28/41/56/945284156.db2.gz LTQHQNSYVMPPET-GFCCVEGCSA-N -1 3 334.383 2.776 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H](C)c1ccccc1 ZINC000819772795 945284162 /nfs/dbraw/zinc/28/41/62/945284162.db2.gz LTQHQNSYVMPPET-GFCCVEGCSA-N -1 3 334.383 2.776 20 50 EFGDHM CC[C@@H](C(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736312063 944796567 /nfs/dbraw/zinc/79/65/67/944796567.db2.gz FBNRFBARYAHDJG-MRXNPFEDSA-N -1 3 334.383 2.511 20 50 EFGDHM CC[C@@H](C(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736312063 944796574 /nfs/dbraw/zinc/79/65/74/944796574.db2.gz FBNRFBARYAHDJG-MRXNPFEDSA-N -1 3 334.383 2.511 20 50 EFGDHM CCC(Cc1ccc(C)cc1)=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736355324 944809480 /nfs/dbraw/zinc/80/94/80/944809480.db2.gz YYCQIUMCNPJHGD-UHFFFAOYSA-N -1 3 348.410 2.914 20 50 EFGDHM CCC(Cc1ccc(C)cc1)=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736355324 944809491 /nfs/dbraw/zinc/80/94/91/944809491.db2.gz YYCQIUMCNPJHGD-UHFFFAOYSA-N -1 3 348.410 2.914 20 50 EFGDHM C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)cs1 ZINC000820703741 945531703 /nfs/dbraw/zinc/53/17/03/945531703.db2.gz JXYITTZTPJPBRX-WFHJWZICSA-N -1 3 342.428 2.530 20 50 EFGDHM C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)cs1 ZINC000820703741 945531708 /nfs/dbraw/zinc/53/17/08/945531708.db2.gz JXYITTZTPJPBRX-WFHJWZICSA-N -1 3 342.428 2.530 20 50 EFGDHM CC[C@@H](C(=O)NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820842008 945568124 /nfs/dbraw/zinc/56/81/24/945568124.db2.gz ICALMHUGDFCIBT-CYBMUJFWSA-N -1 3 340.412 2.572 20 50 EFGDHM CCC(CC)(CC)CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820882624 945581870 /nfs/dbraw/zinc/58/18/70/945581870.db2.gz VVJODSHVNBKINT-UHFFFAOYSA-N -1 3 331.424 2.709 20 50 EFGDHM CCC(CC)(CC)CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820882624 945581877 /nfs/dbraw/zinc/58/18/77/945581877.db2.gz VVJODSHVNBKINT-UHFFFAOYSA-N -1 3 331.424 2.709 20 50 EFGDHM CCC1(C)CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820949462 945593119 /nfs/dbraw/zinc/59/31/19/945593119.db2.gz ANAYSBMBKAUISC-UHFFFAOYSA-N -1 3 326.404 2.943 20 50 EFGDHM CCC1(C)CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820949462 945593121 /nfs/dbraw/zinc/59/31/21/945593121.db2.gz ANAYSBMBKAUISC-UHFFFAOYSA-N -1 3 326.404 2.943 20 50 EFGDHM Cc1cccc(NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000822323668 946052854 /nfs/dbraw/zinc/05/28/54/946052854.db2.gz LZZQSCOGKZYWRR-IZZDOVSWSA-N -1 3 336.380 2.782 20 50 EFGDHM Cc1cccc(NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000822323668 946052866 /nfs/dbraw/zinc/05/28/66/946052866.db2.gz LZZQSCOGKZYWRR-IZZDOVSWSA-N -1 3 336.380 2.782 20 50 EFGDHM O=C(NCCCCC1CCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823187133 946340048 /nfs/dbraw/zinc/34/00/48/946340048.db2.gz CJBJRMNEWSWGPD-UHFFFAOYSA-N -1 3 343.435 2.853 20 50 EFGDHM O=C(NCCCCC1CCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823187133 946340058 /nfs/dbraw/zinc/34/00/58/946340058.db2.gz CJBJRMNEWSWGPD-UHFFFAOYSA-N -1 3 343.435 2.853 20 50 EFGDHM CC[C@H](c1ccccc1)N(CCI)CC(=O)[O-] ZINC001595363488 980783320 /nfs/dbraw/zinc/78/33/20/980783320.db2.gz GKAIWSMAUSWIBC-GFCCVEGCSA-N -1 3 347.196 2.959 20 50 EFGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1C(C)(C)C1(C)C ZINC000823948536 607532182 /nfs/dbraw/zinc/53/21/82/607532182.db2.gz QXXTVCYGPIMXBG-UHFFFAOYSA-N -1 3 326.404 2.655 20 50 EFGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1C(C)(C)C1(C)C ZINC000823948536 607532184 /nfs/dbraw/zinc/53/21/84/607532184.db2.gz QXXTVCYGPIMXBG-UHFFFAOYSA-N -1 3 326.404 2.655 20 50 EFGDHM O=C(C=CSc1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826399968 607723079 /nfs/dbraw/zinc/72/30/79/607723079.db2.gz LMTXQXODMKWICP-MDZDMXLPSA-N -1 3 338.396 2.616 20 50 EFGDHM O=C(C=CSc1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826399968 607723080 /nfs/dbraw/zinc/72/30/80/607723080.db2.gz LMTXQXODMKWICP-MDZDMXLPSA-N -1 3 338.396 2.616 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1csc2ccccc12 ZINC000826449130 607732333 /nfs/dbraw/zinc/73/23/33/607732333.db2.gz CQPPTNSDCHATNP-UHFFFAOYSA-N -1 3 336.380 2.838 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1csc2ccccc12 ZINC000826449130 607732334 /nfs/dbraw/zinc/73/23/34/607732334.db2.gz CQPPTNSDCHATNP-UHFFFAOYSA-N -1 3 336.380 2.838 20 50 EFGDHM C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)N1[C@H](C)CC[C@@H]1C ZINC000833602423 605260023 /nfs/dbraw/zinc/26/00/23/605260023.db2.gz JJXIRRGHQIZHHZ-OUAUKWLOSA-N -1 3 339.823 2.743 20 50 EFGDHM N#CC(=Cc1c(F)cccc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379170 608213613 /nfs/dbraw/zinc/21/36/13/608213613.db2.gz KVUNAXBSVVWVSQ-WQLSENKSSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1c(F)cccc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379170 608213614 /nfs/dbraw/zinc/21/36/14/608213614.db2.gz KVUNAXBSVVWVSQ-WQLSENKSSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1cc(F)cc(F)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379626 608219240 /nfs/dbraw/zinc/21/92/40/608219240.db2.gz XGYMYRFJZYNYRN-PQMHYQBVSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1cc(F)cc(F)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379626 608219242 /nfs/dbraw/zinc/21/92/42/608219242.db2.gz XGYMYRFJZYNYRN-PQMHYQBVSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccsc1 ZINC000826378853 608877097 /nfs/dbraw/zinc/87/70/97/608877097.db2.gz BWMJLTXKBLTQKX-VZUCSPMQSA-N -1 3 325.328 2.857 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccsc1 ZINC000826378853 608877101 /nfs/dbraw/zinc/87/71/01/608877101.db2.gz BWMJLTXKBLTQKX-VZUCSPMQSA-N -1 3 325.328 2.857 20 50 EFGDHM CCCC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736440541 944822974 /nfs/dbraw/zinc/82/29/74/944822974.db2.gz DANQNIMOLWJTMQ-SWLSCSKDSA-N -1 3 343.435 2.852 20 50 EFGDHM CCCC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736440541 944822978 /nfs/dbraw/zinc/82/29/78/944822978.db2.gz DANQNIMOLWJTMQ-SWLSCSKDSA-N -1 3 343.435 2.852 20 50 EFGDHM O=C(CC1CCCC1)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822941034 946224721 /nfs/dbraw/zinc/22/47/21/946224721.db2.gz NRKHAEJLIABOJQ-UHFFFAOYSA-N -1 3 338.415 2.604 20 50 EFGDHM O=C(CC1CCCC1)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822941034 946224734 /nfs/dbraw/zinc/22/47/34/946224734.db2.gz NRKHAEJLIABOJQ-UHFFFAOYSA-N -1 3 338.415 2.604 20 50 EFGDHM CC(=Cc1ccc(C)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823942329 946522625 /nfs/dbraw/zinc/52/26/25/946522625.db2.gz BFKNCCBHABJVNI-QBFSEMIESA-N -1 3 334.383 2.722 20 50 EFGDHM C[C@H](CBr)CN1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001592213423 977272556 /nfs/dbraw/zinc/27/25/56/977272556.db2.gz XMSAOMFPYZXVSO-SECBINFHSA-N -1 3 331.210 2.583 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826446954 607347343 /nfs/dbraw/zinc/34/73/43/607347343.db2.gz GVOBSWBOVIRLJL-UHFFFAOYSA-N -1 3 348.288 2.642 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000826447225 607353307 /nfs/dbraw/zinc/35/33/07/607353307.db2.gz UZVJIFWADLPECE-UHFFFAOYSA-N -1 3 349.181 2.930 20 50 EFGDHM Cc1c2ccccc2oc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826234785 607349258 /nfs/dbraw/zinc/34/92/58/607349258.db2.gz NVRDJPBHGJCNLJ-UHFFFAOYSA-N -1 3 334.339 2.678 20 50 EFGDHM O=C(NNc1cccc2c1CCCC2)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826449348 607673981 /nfs/dbraw/zinc/67/39/81/607673981.db2.gz NYQNWLHJSGFYNT-UHFFFAOYSA-N -1 3 349.398 2.894 20 50 EFGDHM O=C(NNc1cccc2c1CCCC2)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826449348 607673983 /nfs/dbraw/zinc/67/39/83/607673983.db2.gz NYQNWLHJSGFYNT-UHFFFAOYSA-N -1 3 349.398 2.894 20 50 EFGDHM Cc1c2cc(C)ccc2[nH]c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826293687 607719059 /nfs/dbraw/zinc/71/90/59/607719059.db2.gz YIWRIFJOYVTHFS-UHFFFAOYSA-N -1 3 347.382 2.722 20 50 EFGDHM Cc1c2cc(C)ccc2[nH]c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826293687 607719061 /nfs/dbraw/zinc/71/90/61/607719061.db2.gz YIWRIFJOYVTHFS-UHFFFAOYSA-N -1 3 347.382 2.722 20 50 EFGDHM O=C(CC=Cc1ccc(F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404952 607721466 /nfs/dbraw/zinc/72/14/66/607721466.db2.gz QZQPBVRSIQTTHP-HNQUOIGGSA-N -1 3 338.346 2.552 20 50 EFGDHM O=C(CC=Cc1ccc(F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404952 607721468 /nfs/dbraw/zinc/72/14/68/607721468.db2.gz QZQPBVRSIQTTHP-HNQUOIGGSA-N -1 3 338.346 2.552 20 50 EFGDHM Cc1c2ccccc2oc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826234979 607726119 /nfs/dbraw/zinc/72/61/19/607726119.db2.gz XOARLXCWRUZADS-UHFFFAOYSA-N -1 3 334.339 2.678 20 50 EFGDHM Cc1c2ccccc2oc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826234979 607726121 /nfs/dbraw/zinc/72/61/21/607726121.db2.gz XOARLXCWRUZADS-UHFFFAOYSA-N -1 3 334.339 2.678 20 50 EFGDHM CCn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000825799521 607727700 /nfs/dbraw/zinc/72/77/00/607727700.db2.gz NJODGVLOMRCVAE-UHFFFAOYSA-N -1 3 347.382 2.598 20 50 EFGDHM CCn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000825799521 607727702 /nfs/dbraw/zinc/72/77/02/607727702.db2.gz NJODGVLOMRCVAE-UHFFFAOYSA-N -1 3 347.382 2.598 20 50 EFGDHM CC(=CC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000823942624 607728604 /nfs/dbraw/zinc/72/86/04/607728604.db2.gz HDDBNZQDKWYWCX-PKNBQFBNSA-N -1 3 338.346 2.552 20 50 EFGDHM CC(=CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000823942624 607728605 /nfs/dbraw/zinc/72/86/05/607728605.db2.gz HDDBNZQDKWYWCX-PKNBQFBNSA-N -1 3 338.346 2.552 20 50 EFGDHM CCC[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825225771 607731297 /nfs/dbraw/zinc/73/12/97/607731297.db2.gz XJIWLDODZOTDDN-INIZCTEOSA-N -1 3 336.399 2.894 20 50 EFGDHM CCC[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825225771 607731299 /nfs/dbraw/zinc/73/12/99/607731299.db2.gz XJIWLDODZOTDDN-INIZCTEOSA-N -1 3 336.399 2.894 20 50 EFGDHM Cc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826289197 607807289 /nfs/dbraw/zinc/80/72/89/607807289.db2.gz OXVLKRRADOQVLD-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM Cc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826289197 607807290 /nfs/dbraw/zinc/80/72/90/607807290.db2.gz OXVLKRRADOQVLD-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379641 608217794 /nfs/dbraw/zinc/21/77/94/608217794.db2.gz XSPOGHPHTKOTMA-VGOFMYFVSA-N -1 3 346.306 2.565 20 50 EFGDHM N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379641 608217795 /nfs/dbraw/zinc/21/77/95/608217795.db2.gz XSPOGHPHTKOTMA-VGOFMYFVSA-N -1 3 346.306 2.565 20 50 EFGDHM COc1cc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826177695 608328901 /nfs/dbraw/zinc/32/89/01/608328901.db2.gz RGFMTVAFHNLGJU-ZSOIEALJSA-N -1 3 348.322 2.848 20 50 EFGDHM COc1cc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826177695 608328902 /nfs/dbraw/zinc/32/89/02/608328902.db2.gz RGFMTVAFHNLGJU-ZSOIEALJSA-N -1 3 348.322 2.848 20 50 EFGDHM Cc1cc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000826266250 609517669 /nfs/dbraw/zinc/51/76/69/609517669.db2.gz INVZKHRZKKIKGH-UHFFFAOYSA-N -1 3 340.774 2.592 20 50 EFGDHM Cc1cc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000826266250 609517672 /nfs/dbraw/zinc/51/76/72/609517672.db2.gz INVZKHRZKKIKGH-UHFFFAOYSA-N -1 3 340.774 2.592 20 50 EFGDHM O=C(NN=Cc1cccc2ccccc12)c1cccc(-c2nnn[n-]2)c1 ZINC000738130804 945211606 /nfs/dbraw/zinc/21/16/06/945211606.db2.gz WMWPTKRISUTKLV-UHFFFAOYSA-N -1 3 342.362 2.784 20 50 EFGDHM O=C(NN=Cc1cccc2ccccc12)c1cccc(-c2nn[n-]n2)c1 ZINC000738130804 945211613 /nfs/dbraw/zinc/21/16/13/945211613.db2.gz WMWPTKRISUTKLV-UHFFFAOYSA-N -1 3 342.362 2.784 20 50 EFGDHM CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735448067 944657709 /nfs/dbraw/zinc/65/77/09/944657709.db2.gz OKKGWNDIXFSMCG-UHFFFAOYSA-N -1 3 348.410 2.685 20 50 EFGDHM CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735448067 944657712 /nfs/dbraw/zinc/65/77/12/944657712.db2.gz OKKGWNDIXFSMCG-UHFFFAOYSA-N -1 3 348.410 2.685 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1-c1nnn[n-]1 ZINC000737074552 944946169 /nfs/dbraw/zinc/94/61/69/944946169.db2.gz HFQGGROKTZQLOX-ZROIWOOFSA-N -1 3 331.335 2.665 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1-c1nn[n-]n1 ZINC000737074552 944946172 /nfs/dbraw/zinc/94/61/72/944946172.db2.gz HFQGGROKTZQLOX-ZROIWOOFSA-N -1 3 331.335 2.665 20 50 EFGDHM C[C@@H]1C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1c1ccccc1 ZINC000820641275 945503174 /nfs/dbraw/zinc/50/31/74/945503174.db2.gz BKDAQLNRPDVBQX-BLLLJJGKSA-N -1 3 346.394 2.776 20 50 EFGDHM C[C@@H]1C(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1c1ccccc1 ZINC000820641275 945503181 /nfs/dbraw/zinc/50/31/81/945503181.db2.gz BKDAQLNRPDVBQX-BLLLJJGKSA-N -1 3 346.394 2.776 20 50 EFGDHM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821882554 945895466 /nfs/dbraw/zinc/89/54/66/945895466.db2.gz DKPCSJGLCWUKTO-MDWZMJQESA-N -1 3 349.325 2.804 20 50 EFGDHM COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821882554 945895476 /nfs/dbraw/zinc/89/54/76/945895476.db2.gz DKPCSJGLCWUKTO-MDWZMJQESA-N -1 3 349.325 2.804 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)c1ccccc1F ZINC000822796299 946181735 /nfs/dbraw/zinc/18/17/35/946181735.db2.gz PKWRMMQVJANUKK-VQHVLOKHSA-N -1 3 325.328 2.857 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)C(=O)Nc1ccc(F)cc1 ZINC000822796453 946184719 /nfs/dbraw/zinc/18/47/19/946184719.db2.gz RMSXUZBFHDQLJE-CLFYSBASSA-N -1 3 340.343 2.613 20 50 EFGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(F)cc1 ZINC000822796667 946188393 /nfs/dbraw/zinc/18/83/93/946188393.db2.gz UYPASOFSMJOBDE-YHYXMXQVSA-N -1 3 325.328 2.857 20 50 EFGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(F)cc1 ZINC000822796667 946188395 /nfs/dbraw/zinc/18/83/95/946188395.db2.gz UYPASOFSMJOBDE-YHYXMXQVSA-N -1 3 325.328 2.857 20 50 EFGDHM O=C(NN=Cc1cc2ccccc2s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273832 946391012 /nfs/dbraw/zinc/39/10/12/946391012.db2.gz ZYGMUCDAAKUDFY-UHFFFAOYSA-N -1 3 348.391 2.845 20 50 EFGDHM O=C(NN=Cc1cc2ccccc2s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273832 946391017 /nfs/dbraw/zinc/39/10/17/946391017.db2.gz ZYGMUCDAAKUDFY-UHFFFAOYSA-N -1 3 348.391 2.845 20 50 EFGDHM O=C(C=Cc1ccc2[nH]ccc2c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826400879 948219501 /nfs/dbraw/zinc/21/95/01/948219501.db2.gz KGBJMZYGGLOWIL-FNORWQNLSA-N -1 3 345.366 2.505 20 50 EFGDHM O=C(C=Cc1ccc2[nH]ccc2c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826400879 948219511 /nfs/dbraw/zinc/21/95/11/948219511.db2.gz KGBJMZYGGLOWIL-FNORWQNLSA-N -1 3 345.366 2.505 20 50 EFGDHM CN(C)Cc1cccc(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC001598253546 991045759 /nfs/dbraw/zinc/04/57/59/991045759.db2.gz UEJKUEWCHQKWIK-UHFFFAOYSA-N -1 3 347.802 2.857 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000826446830 607341252 /nfs/dbraw/zinc/34/12/52/607341252.db2.gz AMZOKQZXUPQIHQ-UHFFFAOYSA-N -1 3 334.383 2.502 20 50 EFGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000826281853 607344219 /nfs/dbraw/zinc/34/42/19/607344219.db2.gz MMWNALHRSWCVFU-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1C(C)C ZINC000826260116 607352459 /nfs/dbraw/zinc/35/24/59/607352459.db2.gz WXFXKNPMKNPQNL-UHFFFAOYSA-N -1 3 339.403 2.623 20 50 EFGDHM CC(C)=C(C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824178386 607395486 /nfs/dbraw/zinc/39/54/86/607395486.db2.gz RLAOOHDCJLQVJP-UHFFFAOYSA-N -1 3 340.309 2.685 20 50 EFGDHM CC(C)=C(C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824178386 607395488 /nfs/dbraw/zinc/39/54/88/607395488.db2.gz RLAOOHDCJLQVJP-UHFFFAOYSA-N -1 3 340.309 2.685 20 50 EFGDHM CCCC=CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825259214 607395889 /nfs/dbraw/zinc/39/58/89/607395889.db2.gz GXZDUERJVWOUMW-SNAWJCMRSA-N -1 3 340.309 2.685 20 50 EFGDHM CCCC=CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825259214 607395891 /nfs/dbraw/zinc/39/58/91/607395891.db2.gz GXZDUERJVWOUMW-SNAWJCMRSA-N -1 3 340.309 2.685 20 50 EFGDHM C[C@@H](CCC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824400627 607560765 /nfs/dbraw/zinc/56/07/65/607560765.db2.gz JLBMPGRQGNGVCE-ZDUSSCGKSA-N -1 3 336.399 2.894 20 50 EFGDHM C[C@@H](CCC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824400627 607560767 /nfs/dbraw/zinc/56/07/67/607560767.db2.gz JLBMPGRQGNGVCE-ZDUSSCGKSA-N -1 3 336.399 2.894 20 50 EFGDHM Cc1nc(C(C)C)sc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826323816 607730088 /nfs/dbraw/zinc/73/00/88/607730088.db2.gz SVWNMTOSIFVWHO-UHFFFAOYSA-N -1 3 343.416 2.512 20 50 EFGDHM Cc1nc(C(C)C)sc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826323816 607730089 /nfs/dbraw/zinc/73/00/89/607730089.db2.gz SVWNMTOSIFVWHO-UHFFFAOYSA-N -1 3 343.416 2.512 20 50 EFGDHM O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823280941 606932096 /nfs/dbraw/zinc/93/20/96/606932096.db2.gz IYFHBTFCTVAEQI-UHFFFAOYSA-N -1 3 349.181 2.930 20 50 EFGDHM O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823280941 606932097 /nfs/dbraw/zinc/93/20/97/606932097.db2.gz IYFHBTFCTVAEQI-UHFFFAOYSA-N -1 3 349.181 2.930 20 50 EFGDHM Cc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826288996 607807319 /nfs/dbraw/zinc/80/73/19/607807319.db2.gz GHUMTIIHXBICOW-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2[nH]1 ZINC000826379584 607915938 /nfs/dbraw/zinc/91/59/38/607915938.db2.gz WGAJZGNXSCIGTL-XFFZJAGNSA-N -1 3 331.314 2.946 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2[nH]1 ZINC000826379584 607915939 /nfs/dbraw/zinc/91/59/39/607915939.db2.gz WGAJZGNXSCIGTL-XFFZJAGNSA-N -1 3 331.314 2.946 20 50 EFGDHM COc1cc(C(C#N)=Cc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826177470 608328818 /nfs/dbraw/zinc/32/88/18/608328818.db2.gz JSVNMEWMXSKFIZ-RIYZIHGNSA-N -1 3 348.322 2.848 20 50 EFGDHM COc1cc(C(C#N)=Cc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826177470 608328819 /nfs/dbraw/zinc/32/88/19/608328819.db2.gz JSVNMEWMXSKFIZ-RIYZIHGNSA-N -1 3 348.322 2.848 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1F ZINC000826448226 608805534 /nfs/dbraw/zinc/80/55/34/608805534.db2.gz MXKAZVVTPMTANG-UHFFFAOYSA-N -1 3 347.741 2.808 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1F ZINC000826448226 608805536 /nfs/dbraw/zinc/80/55/36/608805536.db2.gz MXKAZVVTPMTANG-UHFFFAOYSA-N -1 3 347.741 2.808 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)c1ccc(F)cc1 ZINC000826379619 608877319 /nfs/dbraw/zinc/87/73/19/608877319.db2.gz XDHFYERPCKRISN-GHXNOFRVSA-N -1 3 337.289 2.935 20 50 EFGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)c1ccc(F)cc1 ZINC000826379619 608877322 /nfs/dbraw/zinc/87/73/22/608877322.db2.gz XDHFYERPCKRISN-GHXNOFRVSA-N -1 3 337.289 2.935 20 50 EFGDHM C[C@H]1CCCC[C@H]1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736262152 944779089 /nfs/dbraw/zinc/77/90/89/944779089.db2.gz MOUNVZOVWUFXBX-STQMWFEESA-N -1 3 343.435 2.709 20 50 EFGDHM C[C@H]1CCCC[C@H]1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736262152 944779091 /nfs/dbraw/zinc/77/90/91/944779091.db2.gz MOUNVZOVWUFXBX-STQMWFEESA-N -1 3 343.435 2.709 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736731833 944881193 /nfs/dbraw/zinc/88/11/93/944881193.db2.gz JUUOPPIDEGKHPK-PTNGSMBKSA-N -1 3 336.399 2.565 20 50 EFGDHM CN(C(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736731833 944881201 /nfs/dbraw/zinc/88/12/01/944881201.db2.gz JUUOPPIDEGKHPK-PTNGSMBKSA-N -1 3 336.399 2.565 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccoc2C)cc1-c1nnn[n-]1 ZINC000737075025 944947104 /nfs/dbraw/zinc/94/71/04/944947104.db2.gz ILLXJJGTXKRYHW-KPKJPENVSA-N -1 3 335.323 2.567 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)c2ccoc2C)cc1-c1nn[n-]n1 ZINC000737075025 944947107 /nfs/dbraw/zinc/94/71/07/944947107.db2.gz ILLXJJGTXKRYHW-KPKJPENVSA-N -1 3 335.323 2.567 20 50 EFGDHM C[C@@H](C=NNC(=O)c1cccc(-c2nnn[n-]2)c1)CCc1ccccc1 ZINC000820220189 945387720 /nfs/dbraw/zinc/38/77/20/945387720.db2.gz OKPZRBDIKVWWCV-CQSZACIVSA-N -1 3 348.410 2.851 20 50 EFGDHM C[C@@H](C=NNC(=O)c1cccc(-c2nn[n-]n2)c1)CCc1ccccc1 ZINC000820220189 945387733 /nfs/dbraw/zinc/38/77/33/945387733.db2.gz OKPZRBDIKVWWCV-CQSZACIVSA-N -1 3 348.410 2.851 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1csc2ccccc12 ZINC000826447781 607353479 /nfs/dbraw/zinc/35/34/79/607353479.db2.gz VTDFBNHYWVLWTA-UHFFFAOYSA-N -1 3 336.380 2.838 20 50 EFGDHM O=C(NNc1ccc(Cl)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826447398 607712106 /nfs/dbraw/zinc/71/21/06/607712106.db2.gz DDULRZYHOVPDQV-UHFFFAOYSA-N -1 3 349.181 2.930 20 50 EFGDHM O=C(NNc1ccc(Cl)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826447398 607712108 /nfs/dbraw/zinc/71/21/08/607712108.db2.gz DDULRZYHOVPDQV-UHFFFAOYSA-N -1 3 349.181 2.930 20 50 EFGDHM Cc1ccc(/C=C\CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826285530 607718642 /nfs/dbraw/zinc/71/86/42/607718642.db2.gz BVYKILUUZIABBR-RQOWECAXSA-N -1 3 334.383 2.722 20 50 EFGDHM Cc1ccc(/C=C\CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826285530 607718644 /nfs/dbraw/zinc/71/86/44/607718644.db2.gz BVYKILUUZIABBR-RQOWECAXSA-N -1 3 334.383 2.722 20 50 EFGDHM Cc1cc(C)c(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826263286 607731376 /nfs/dbraw/zinc/73/13/76/607731376.db2.gz UCFYRGLYYKIKJD-BQYQJAHWSA-N -1 3 348.410 2.948 20 50 EFGDHM Cc1cc(C)c(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826263286 607731378 /nfs/dbraw/zinc/73/13/78/607731378.db2.gz UCFYRGLYYKIKJD-BQYQJAHWSA-N -1 3 348.410 2.948 20 50 EFGDHM CN(C)Cc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833689673 605631434 /nfs/dbraw/zinc/63/14/34/605631434.db2.gz OFKWQPVKEKSAGK-UHFFFAOYSA-N -1 3 328.372 2.595 20 50 EFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCCC1 ZINC000823281172 606130403 /nfs/dbraw/zinc/13/04/03/606130403.db2.gz NCKOWJXZCCUKSP-UHFFFAOYSA-N -1 3 340.309 2.519 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000823281172 606130404 /nfs/dbraw/zinc/13/04/04/606130404.db2.gz NCKOWJXZCCUKSP-UHFFFAOYSA-N -1 3 340.309 2.519 20 50 EFGDHM C[C@H](NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824471161 607883429 /nfs/dbraw/zinc/88/34/29/607883429.db2.gz OSPODMXGNKBLFM-RERGGYADSA-N -1 3 344.378 2.651 20 50 EFGDHM C[C@H](NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824471161 607883430 /nfs/dbraw/zinc/88/34/30/607883430.db2.gz OSPODMXGNKBLFM-RERGGYADSA-N -1 3 344.378 2.651 20 50 EFGDHM N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379288 608215795 /nfs/dbraw/zinc/21/57/95/608215795.db2.gz NXDCOTCHCFQVPS-ZSOIEALJSA-N -1 3 346.306 2.565 20 50 EFGDHM N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379288 608215797 /nfs/dbraw/zinc/21/57/97/608215797.db2.gz NXDCOTCHCFQVPS-ZSOIEALJSA-N -1 3 346.306 2.565 20 50 EFGDHM COc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826219366 608216724 /nfs/dbraw/zinc/21/67/24/608216724.db2.gz ZPYHCFZXDQFQFX-DHDCSXOGSA-N -1 3 331.335 2.665 20 50 EFGDHM COc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826219366 608216725 /nfs/dbraw/zinc/21/67/25/608216725.db2.gz ZPYHCFZXDQFQFX-DHDCSXOGSA-N -1 3 331.335 2.665 20 50 EFGDHM CC(=NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)c1ccccc1 ZINC000819772566 945285572 /nfs/dbraw/zinc/28/55/72/945285572.db2.gz GOPJITPNYSMOTJ-LBPRGKRZSA-N -1 3 334.383 2.776 20 50 EFGDHM CC(=NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)c1ccccc1 ZINC000819772566 945285583 /nfs/dbraw/zinc/28/55/83/945285583.db2.gz GOPJITPNYSMOTJ-LBPRGKRZSA-N -1 3 334.383 2.776 20 50 EFGDHM CC(=NNC(=O)CCCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735447095 944655250 /nfs/dbraw/zinc/65/52/50/944655250.db2.gz ISSJKGBTIAIPJI-UHFFFAOYSA-N -1 3 348.410 2.730 20 50 EFGDHM CC(=NNC(=O)CCCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735447095 944655255 /nfs/dbraw/zinc/65/52/55/944655255.db2.gz ISSJKGBTIAIPJI-UHFFFAOYSA-N -1 3 348.410 2.730 20 50 EFGDHM CCCC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736440971 944823738 /nfs/dbraw/zinc/82/37/38/944823738.db2.gz KKCBRLIRJKRTQA-LBPRGKRZSA-N -1 3 326.404 2.943 20 50 EFGDHM CCCC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736440971 944823743 /nfs/dbraw/zinc/82/37/43/944823743.db2.gz KKCBRLIRJKRTQA-LBPRGKRZSA-N -1 3 326.404 2.943 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)CC(C)(C)C)cc1-c1nnn[n-]1 ZINC000737076818 944949226 /nfs/dbraw/zinc/94/92/26/944949226.db2.gz QFTAMTGUDZVVFE-KPKJPENVSA-N -1 3 325.372 2.788 20 50 EFGDHM COc1ccc(C=C(C#N)C(=O)CC(C)(C)C)cc1-c1nn[n-]n1 ZINC000737076818 944949230 /nfs/dbraw/zinc/94/92/30/944949230.db2.gz QFTAMTGUDZVVFE-KPKJPENVSA-N -1 3 325.372 2.788 20 50 EFGDHM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821056833 945625622 /nfs/dbraw/zinc/62/56/22/945625622.db2.gz YOSDQQSFDGRVCR-ZROIWOOFSA-N -1 3 342.378 2.609 20 50 EFGDHM CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821056833 945625628 /nfs/dbraw/zinc/62/56/28/945625628.db2.gz YOSDQQSFDGRVCR-ZROIWOOFSA-N -1 3 342.378 2.609 20 50 EFGDHM CCc1cnc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825735674 947303530 /nfs/dbraw/zinc/30/35/30/947303530.db2.gz SJSAFIHBRSCATI-KPKJPENVSA-N -1 3 336.380 2.675 20 50 EFGDHM CCc1cnc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825735674 947303540 /nfs/dbraw/zinc/30/35/40/947303540.db2.gz SJSAFIHBRSCATI-KPKJPENVSA-N -1 3 336.380 2.675 20 50 EFGDHM O=C(C=Cc1ccc(Cl)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826399950 607347120 /nfs/dbraw/zinc/34/71/20/607347120.db2.gz KYESWKIGVRMDSL-KMKOMSMNSA-N -1 3 340.774 2.677 20 50 EFGDHM Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000826281578 607718728 /nfs/dbraw/zinc/71/87/28/607718728.db2.gz ADOUXEHRSSJAFS-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000826281578 607718729 /nfs/dbraw/zinc/71/87/29/607718729.db2.gz ADOUXEHRSSJAFS-UHFFFAOYSA-N -1 3 328.763 2.585 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000826447464 607732003 /nfs/dbraw/zinc/73/20/03/607732003.db2.gz GQHVQRRADARTKZ-UHFFFAOYSA-N -1 3 338.415 2.526 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000826447464 607732005 /nfs/dbraw/zinc/73/20/05/607732005.db2.gz GQHVQRRADARTKZ-UHFFFAOYSA-N -1 3 338.415 2.526 20 50 EFGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)cc1 ZINC000826379538 607883555 /nfs/dbraw/zinc/88/35/55/607883555.db2.gz UTVGLFXBGNTSLH-XFXZXTDPSA-N -1 3 334.314 2.551 20 50 EFGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)cc1 ZINC000826379538 607883556 /nfs/dbraw/zinc/88/35/56/607883556.db2.gz UTVGLFXBGNTSLH-XFXZXTDPSA-N -1 3 334.314 2.551 20 50 EFGDHM COc1ccccc1C(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000826217884 607884118 /nfs/dbraw/zinc/88/41/18/607884118.db2.gz GTXLSRCDTGMBQD-RAXLEYEMSA-N -1 3 331.335 2.665 20 50 EFGDHM COc1ccccc1C(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000826217884 607884119 /nfs/dbraw/zinc/88/41/19/607884119.db2.gz GTXLSRCDTGMBQD-RAXLEYEMSA-N -1 3 331.335 2.665 20 50 EFGDHM CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953551 608092200 /nfs/dbraw/zinc/09/22/00/608092200.db2.gz GIXOHJBHXQZFNG-UHFFFAOYSA-N -1 3 346.803 2.736 20 50 EFGDHM CCSc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825674708 608199897 /nfs/dbraw/zinc/19/98/97/608199897.db2.gz QWTSOBSCBUKVFA-UHFFFAOYSA-N -1 3 340.412 2.736 20 50 EFGDHM CCSc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825674708 608199899 /nfs/dbraw/zinc/19/98/99/608199899.db2.gz QWTSOBSCBUKVFA-UHFFFAOYSA-N -1 3 340.412 2.736 20 50 EFGDHM COCc1cccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826164899 608212993 /nfs/dbraw/zinc/21/29/93/608212993.db2.gz WGKGJMUJLUOXJK-RQZCQDPDSA-N -1 3 345.362 2.803 20 50 EFGDHM COCc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826164899 608212994 /nfs/dbraw/zinc/21/29/94/608212994.db2.gz WGKGJMUJLUOXJK-RQZCQDPDSA-N -1 3 345.362 2.803 20 50 EFGDHM N#CC(=Cc1ccc(Cl)nc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378827 608215286 /nfs/dbraw/zinc/21/52/86/608215286.db2.gz BHMKGUWQFSDOMW-AWNIVKPZSA-N -1 3 336.742 2.705 20 50 EFGDHM N#CC(=Cc1ccc(Cl)nc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378827 608215288 /nfs/dbraw/zinc/21/52/88/608215288.db2.gz BHMKGUWQFSDOMW-AWNIVKPZSA-N -1 3 336.742 2.705 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000826446712 608244686 /nfs/dbraw/zinc/24/46/86/608244686.db2.gz VPYOBRCYGVDHAA-MRXNPFEDSA-N -1 3 334.383 2.504 20 50 EFGDHM O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738128675 945196186 /nfs/dbraw/zinc/19/61/86/945196186.db2.gz GOPCNPLIZLBUJX-STQMWFEESA-N -1 3 338.415 2.943 20 50 EFGDHM O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738128675 945196201 /nfs/dbraw/zinc/19/62/01/945196201.db2.gz GOPCNPLIZLBUJX-STQMWFEESA-N -1 3 338.415 2.943 20 50 EFGDHM CC(C)[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820017567 945331088 /nfs/dbraw/zinc/33/10/88/945331088.db2.gz ZZBLSUHUUFSKEC-QMMMGPOBSA-N -1 3 342.325 2.621 20 50 EFGDHM CC(C)[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820017567 945331097 /nfs/dbraw/zinc/33/10/97/945331097.db2.gz ZZBLSUHUUFSKEC-QMMMGPOBSA-N -1 3 342.325 2.621 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C)c1C ZINC000735446779 944653259 /nfs/dbraw/zinc/65/32/59/944653259.db2.gz GBUJAFIIDXQXOD-UHFFFAOYSA-N -1 3 334.383 2.638 20 50 EFGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C)c1C ZINC000735446779 944653265 /nfs/dbraw/zinc/65/32/65/944653265.db2.gz GBUJAFIIDXQXOD-UHFFFAOYSA-N -1 3 334.383 2.638 20 50 EFGDHM CC(C)[C@@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735748447 944695993 /nfs/dbraw/zinc/69/59/93/944695993.db2.gz IILUGQUBVRMRHK-OCCSQVGLSA-N -1 3 343.435 2.708 20 50 EFGDHM CC(C)[C@@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735748447 944695999 /nfs/dbraw/zinc/69/59/99/944695999.db2.gz IILUGQUBVRMRHK-OCCSQVGLSA-N -1 3 343.435 2.708 20 50 EFGDHM CC(CCc1cccc(C)c1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735985054 944730558 /nfs/dbraw/zinc/73/05/58/944730558.db2.gz DLRINBNAHFDUDT-UHFFFAOYSA-N -1 3 348.410 2.914 20 50 EFGDHM CC(CCc1cccc(C)c1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735985054 944730566 /nfs/dbraw/zinc/73/05/66/944730566.db2.gz DLRINBNAHFDUDT-UHFFFAOYSA-N -1 3 348.410 2.914 20 50 EFGDHM CCC(CC)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820893797 945583776 /nfs/dbraw/zinc/58/37/76/945583776.db2.gz VRULPLTYLREQAF-UHFFFAOYSA-N -1 3 342.325 2.765 20 50 EFGDHM CCC(CC)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820893797 945583784 /nfs/dbraw/zinc/58/37/84/945583784.db2.gz VRULPLTYLREQAF-UHFFFAOYSA-N -1 3 342.325 2.765 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)c1 ZINC000821854660 945885958 /nfs/dbraw/zinc/88/59/58/945885958.db2.gz QTHJCVFPTYUPHO-IZZDOVSWSA-N -1 3 337.364 2.727 20 50 EFGDHM COc1cccc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)c1 ZINC000821854660 945885967 /nfs/dbraw/zinc/88/59/67/945885967.db2.gz QTHJCVFPTYUPHO-IZZDOVSWSA-N -1 3 337.364 2.727 20 50 EFGDHM Cc1cc(C)c(NNC(=O)c2sccc2-c2nnn[n-]2)c(C)c1 ZINC000822194336 945976783 /nfs/dbraw/zinc/97/67/83/945976783.db2.gz SLTAMLMIGHETFK-UHFFFAOYSA-N -1 3 328.401 2.610 20 50 EFGDHM Cc1cc(C)c(NNC(=O)c2sccc2-c2nn[n-]n2)c(C)c1 ZINC000822194336 945976790 /nfs/dbraw/zinc/97/67/90/945976790.db2.gz SLTAMLMIGHETFK-UHFFFAOYSA-N -1 3 328.401 2.610 20 50 EFGDHM Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nnn[n-]4)s3)nc21 ZINC000822378983 946076564 /nfs/dbraw/zinc/07/65/64/946076564.db2.gz ILNQZJACYRENMX-TWGQIWQCSA-N -1 3 334.368 2.572 20 50 EFGDHM Cc1cc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)oc2cc1C ZINC000826273095 607345746 /nfs/dbraw/zinc/34/57/46/607345746.db2.gz PFFULZFZCNANCQ-UHFFFAOYSA-N -1 3 348.366 2.987 20 50 EFGDHM C[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000824384786 607348142 /nfs/dbraw/zinc/34/81/42/607348142.db2.gz HMZNSJOEPNRJEC-NSHDSACASA-N -1 3 340.362 2.643 20 50 EFGDHM Cc1ccc2[nH]c(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2c1C ZINC000826293542 607346765 /nfs/dbraw/zinc/34/67/65/607346765.db2.gz SSMXWAZDGKRHAX-UHFFFAOYSA-N -1 3 347.382 2.722 20 50 EFGDHM CCn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc21 ZINC000825799683 607350360 /nfs/dbraw/zinc/35/03/60/607350360.db2.gz QSDAYTZZCZGBNK-UHFFFAOYSA-N -1 3 347.382 2.598 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000826446404 607353078 /nfs/dbraw/zinc/35/30/78/607353078.db2.gz KDORLQKCZLPLBP-UHFFFAOYSA-N -1 3 338.415 2.526 20 50 EFGDHM CCCCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825296540 607354970 /nfs/dbraw/zinc/35/49/70/607354970.db2.gz NNFVOGGETVHLJC-UHFFFAOYSA-N -1 3 336.399 2.966 20 50 EFGDHM CC1(C)CCC[C@@H](C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824803712 607782775 /nfs/dbraw/zinc/78/27/75/607782775.db2.gz WIVBNTNNCRFFGQ-GFCCVEGCSA-N -1 3 326.404 2.799 20 50 EFGDHM CC1(C)CCC[C@@H](C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824803712 607782776 /nfs/dbraw/zinc/78/27/76/607782776.db2.gz WIVBNTNNCRFFGQ-GFCCVEGCSA-N -1 3 326.404 2.799 20 50 EFGDHM O=C(Cc1ccc2ccccc2c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826422622 607723137 /nfs/dbraw/zinc/72/31/37/607723137.db2.gz GGWLDTGCRQTTQI-UHFFFAOYSA-N -1 3 344.378 2.706 20 50 EFGDHM O=C(Cc1ccc2ccccc2c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826422622 607723138 /nfs/dbraw/zinc/72/31/38/607723138.db2.gz GGWLDTGCRQTTQI-UHFFFAOYSA-N -1 3 344.378 2.706 20 50 EFGDHM Cc1[nH]c2c(cccc2C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826233141 607724088 /nfs/dbraw/zinc/72/40/88/607724088.db2.gz VJLVPTVGYWKHFQ-UHFFFAOYSA-N -1 3 347.382 2.722 20 50 EFGDHM Cc1[nH]c2c(cccc2C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826233141 607724090 /nfs/dbraw/zinc/72/40/90/607724090.db2.gz VJLVPTVGYWKHFQ-UHFFFAOYSA-N -1 3 347.382 2.722 20 50 EFGDHM CC(C)Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824280421 607725557 /nfs/dbraw/zinc/72/55/57/607725557.db2.gz MVTCQRQIPCLYNL-UHFFFAOYSA-N -1 3 336.399 2.822 20 50 EFGDHM CC(C)Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824280421 607725559 /nfs/dbraw/zinc/72/55/59/607725559.db2.gz MVTCQRQIPCLYNL-UHFFFAOYSA-N -1 3 336.399 2.822 20 50 EFGDHM CCc1sc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825782813 607727987 /nfs/dbraw/zinc/72/79/87/607727987.db2.gz QMEIKNACXUAEIA-UHFFFAOYSA-N -1 3 328.401 2.556 20 50 EFGDHM CCc1sc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825782813 607727989 /nfs/dbraw/zinc/72/79/89/607727989.db2.gz QMEIKNACXUAEIA-UHFFFAOYSA-N -1 3 328.401 2.556 20 50 EFGDHM O=C(CC=Cc1cccc(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405040 607732029 /nfs/dbraw/zinc/73/20/29/607732029.db2.gz UDSILHNUVXOSQG-DJWKRKHSSA-N -1 3 338.346 2.552 20 50 EFGDHM O=C(CC=Cc1cccc(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405040 607732030 /nfs/dbraw/zinc/73/20/30/607732030.db2.gz UDSILHNUVXOSQG-DJWKRKHSSA-N -1 3 338.346 2.552 20 50 EFGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823281366 606128242 /nfs/dbraw/zinc/12/82/42/606128242.db2.gz RFJDURDILULTLK-UHFFFAOYSA-N -1 3 348.288 2.642 20 50 EFGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823281366 606128244 /nfs/dbraw/zinc/12/82/44/606128244.db2.gz RFJDURDILULTLK-UHFFFAOYSA-N -1 3 348.288 2.642 20 50 EFGDHM N#CC(=Cc1ccc2c(c1)CCO2)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379028 608215533 /nfs/dbraw/zinc/21/55/33/608215533.db2.gz HLCKFXRHQQTXEC-SXGWCWSVSA-N -1 3 343.346 2.591 20 50 EFGDHM N#CC(=Cc1ccc2c(c1)CCO2)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379028 608215534 /nfs/dbraw/zinc/21/55/34/608215534.db2.gz HLCKFXRHQQTXEC-SXGWCWSVSA-N -1 3 343.346 2.591 20 50 EFGDHM C[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC(C)(C)C1 ZINC000824866753 609164315 /nfs/dbraw/zinc/16/43/15/609164315.db2.gz NHRLYMTYYHIXGT-AAEUAGOBSA-N -1 3 328.420 2.772 20 50 EFGDHM Cc1ccnc2[nH]c(C(C#N)=Cc3cccc(-c4nn[n-]n4)c3)nc21 ZINC000737446202 945071010 /nfs/dbraw/zinc/07/10/10/945071010.db2.gz UMGXRUZLEAEFIT-MDWZMJQESA-N -1 3 328.339 2.511 20 50 EFGDHM Cc1ccc(C2CC(=NNC(=O)c3cccc(-c4nnn[n-]4)c3)C2)cc1 ZINC000737327771 945039159 /nfs/dbraw/zinc/03/91/59/945039159.db2.gz AJNOFBKBOGRFDM-UHFFFAOYSA-N -1 3 346.394 2.839 20 50 EFGDHM Cc1ccc(C2CC(=NNC(=O)c3cccc(-c4nn[n-]n4)c3)C2)cc1 ZINC000737327771 945039164 /nfs/dbraw/zinc/03/91/64/945039164.db2.gz AJNOFBKBOGRFDM-UHFFFAOYSA-N -1 3 346.394 2.839 20 50 EFGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2[nH]1 ZINC000822795673 946176997 /nfs/dbraw/zinc/17/69/97/946176997.db2.gz FKPUIZIVIZSXSC-KPKJPENVSA-N -1 3 331.314 2.946 20 50 EFGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000822795673 946177007 /nfs/dbraw/zinc/17/70/07/946177007.db2.gz FKPUIZIVIZSXSC-KPKJPENVSA-N -1 3 331.314 2.946 20 50 EFGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001573727732 948557455 /nfs/dbraw/zinc/55/74/55/948557455.db2.gz BUPOFWQULOSGSM-NSHDSACASA-N -1 3 348.366 2.860 20 50 EFGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001573727732 948557458 /nfs/dbraw/zinc/55/74/58/948557458.db2.gz BUPOFWQULOSGSM-NSHDSACASA-N -1 3 348.366 2.860 20 50 EFGDHM CC[C@@H](c1ccccc1)N(CCI)CC(=O)[O-] ZINC001595363489 980783268 /nfs/dbraw/zinc/78/32/68/980783268.db2.gz GKAIWSMAUSWIBC-LBPRGKRZSA-N -1 3 347.196 2.959 20 50 EFGDHM CC[C@@H](CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825082996 607345540 /nfs/dbraw/zinc/34/55/40/607345540.db2.gz WLVAVKPGMSKHFD-ZDUSSCGKSA-N -1 3 336.399 2.894 20 50 EFGDHM C[C@@]1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCc2ccccc21 ZINC000824783417 607347765 /nfs/dbraw/zinc/34/77/65/607347765.db2.gz GLDBWXLCLLOFEP-LJQANCHMSA-N -1 3 348.410 2.604 20 50 EFGDHM Cc1c(Cl)cccc1NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826237300 607393374 /nfs/dbraw/zinc/39/33/74/607393374.db2.gz VDNUFXRHGOFGFQ-UHFFFAOYSA-N -1 3 342.790 2.514 20 50 EFGDHM Cc1c(Cl)cccc1NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826237300 607393376 /nfs/dbraw/zinc/39/33/76/607393376.db2.gz VDNUFXRHGOFGFQ-UHFFFAOYSA-N -1 3 342.790 2.514 20 50 EFGDHM C[C@]1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCc2ccccc2C1 ZINC000824784254 607719047 /nfs/dbraw/zinc/71/90/47/607719047.db2.gz QAGCRKSCOYANPP-IBGZPJMESA-N -1 3 348.410 2.505 20 50 EFGDHM C[C@]1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCc2ccccc2C1 ZINC000824784254 607719048 /nfs/dbraw/zinc/71/90/48/607719048.db2.gz QAGCRKSCOYANPP-IBGZPJMESA-N -1 3 348.410 2.505 20 50 EFGDHM Cc1cc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)oc2cc1C ZINC000826273343 607721339 /nfs/dbraw/zinc/72/13/39/607721339.db2.gz ZPAXCNBXGVIGQF-UHFFFAOYSA-N -1 3 348.366 2.987 20 50 EFGDHM Cc1cc2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)oc2cc1C ZINC000826273343 607721341 /nfs/dbraw/zinc/72/13/41/607721341.db2.gz ZPAXCNBXGVIGQF-UHFFFAOYSA-N -1 3 348.366 2.987 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CCC1 ZINC000826447831 607721357 /nfs/dbraw/zinc/72/13/57/607721357.db2.gz XXYIIHWJXSXUCH-UHFFFAOYSA-N -1 3 348.410 2.723 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CCC1 ZINC000826447831 607721359 /nfs/dbraw/zinc/72/13/59/607721359.db2.gz XXYIIHWJXSXUCH-UHFFFAOYSA-N -1 3 348.410 2.723 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2sccc2c1 ZINC000826448719 607722051 /nfs/dbraw/zinc/72/20/51/607722051.db2.gz IETPFBLECVXKKF-UHFFFAOYSA-N -1 3 336.380 2.838 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2sccc2c1 ZINC000826448719 607722052 /nfs/dbraw/zinc/72/20/52/607722052.db2.gz IETPFBLECVXKKF-UHFFFAOYSA-N -1 3 336.380 2.838 20 50 EFGDHM O=C(C=Cc1ccccc1Cl)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826401491 607728211 /nfs/dbraw/zinc/72/82/11/607728211.db2.gz AAZXJHULIFLLFI-HJWRWDBZSA-N -1 3 340.774 2.677 20 50 EFGDHM O=C(C=Cc1ccccc1Cl)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826401491 607728213 /nfs/dbraw/zinc/72/82/13/607728213.db2.gz AAZXJHULIFLLFI-HJWRWDBZSA-N -1 3 340.774 2.677 20 50 EFGDHM Cc1ccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826287263 607728526 /nfs/dbraw/zinc/72/85/26/607728526.db2.gz IWUPRIDOJIYBPF-UHFFFAOYSA-N -1 3 336.399 2.559 20 50 EFGDHM Cc1ccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826287263 607728528 /nfs/dbraw/zinc/72/85/28/607728528.db2.gz IWUPRIDOJIYBPF-UHFFFAOYSA-N -1 3 336.399 2.559 20 50 EFGDHM C[C@@H](NC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824471163 607883435 /nfs/dbraw/zinc/88/34/35/607883435.db2.gz OSPODMXGNKBLFM-YYTPVVGHSA-N -1 3 344.378 2.651 20 50 EFGDHM C[C@@H](NC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824471163 607883436 /nfs/dbraw/zinc/88/34/36/607883436.db2.gz OSPODMXGNKBLFM-YYTPVVGHSA-N -1 3 344.378 2.651 20 50 EFGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1ccc2ccccc2c1 ZINC000826444454 607887028 /nfs/dbraw/zinc/88/70/28/607887028.db2.gz HGVXCXYUDXEICA-UHFFFAOYSA-N -1 3 342.362 2.784 20 50 EFGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1ccc2ccccc2c1 ZINC000826444454 607887029 /nfs/dbraw/zinc/88/70/29/607887029.db2.gz HGVXCXYUDXEICA-UHFFFAOYSA-N -1 3 342.362 2.784 20 50 EFGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc(C)c1O ZINC000826266664 608214785 /nfs/dbraw/zinc/21/47/85/608214785.db2.gz XCJFNKVTZDVFBO-PXNMLYILSA-N -1 3 345.362 2.979 20 50 EFGDHM N#CC(=Cc1ccc(F)c(C#N)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378954 608217322 /nfs/dbraw/zinc/21/73/22/608217322.db2.gz FUOKLLQYRWRQCB-CHHVJCJISA-N -1 3 344.309 2.667 20 50 EFGDHM N#CC(=Cc1ccc(F)c(C#N)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378954 608217323 /nfs/dbraw/zinc/21/73/23/608217323.db2.gz FUOKLLQYRWRQCB-CHHVJCJISA-N -1 3 344.309 2.667 20 50 EFGDHM N#CC(=Cc1ccc(C#N)cc1F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826379513 608217828 /nfs/dbraw/zinc/21/78/28/608217828.db2.gz UHNVMAAJGHXGDC-VIZOYTHASA-N -1 3 344.309 2.667 20 50 EFGDHM N#CC(=Cc1ccc(C#N)cc1F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826379513 608217829 /nfs/dbraw/zinc/21/78/29/608217829.db2.gz UHNVMAAJGHXGDC-VIZOYTHASA-N -1 3 344.309 2.667 20 50 EFGDHM CSc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826230684 608804072 /nfs/dbraw/zinc/80/40/72/608804072.db2.gz FMMGKWKYIJJVFM-UHFFFAOYSA-N -1 3 341.400 2.737 20 50 EFGDHM CSc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826230684 608804075 /nfs/dbraw/zinc/80/40/75/608804075.db2.gz FMMGKWKYIJJVFM-UHFFFAOYSA-N -1 3 341.400 2.737 20 50 EFGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccc(C(F)F)c1 ZINC000826448315 608810640 /nfs/dbraw/zinc/81/06/40/608810640.db2.gz QOAMHSPGBRSQJK-UHFFFAOYSA-N -1 3 345.313 2.953 20 50 EFGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccc(C(F)F)c1 ZINC000826448315 608810642 /nfs/dbraw/zinc/81/06/42/608810642.db2.gz QOAMHSPGBRSQJK-UHFFFAOYSA-N -1 3 345.313 2.953 20 50 EFGDHM CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000825029254 609412928 /nfs/dbraw/zinc/41/29/28/609412928.db2.gz PSJYTBDGUCMPNB-UHFFFAOYSA-N -1 3 338.346 2.550 20 50 EFGDHM CCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000825029254 609412930 /nfs/dbraw/zinc/41/29/30/609412930.db2.gz PSJYTBDGUCMPNB-UHFFFAOYSA-N -1 3 338.346 2.550 20 50 EFGDHM