smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820039132 945336895 /nfs/dbraw/zinc/33/68/95/945336895.db2.gz WAMLNCSRSQZOPG-AWEZNQCLSA-N 0 0 326.404 2.799 20 50 EFGDRN C[C@@H]1CCC[C@H](CCNC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736247335 944776734 /nfs/dbraw/zinc/77/67/34/944776734.db2.gz BQHKROGLLJBQPJ-CHWSQXEVSA-N 0 0 343.435 2.709 20 50 EFGDRN CCCC[C@@H]1CCCC1=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736441735 944822990 /nfs/dbraw/zinc/82/29/90/944822990.db2.gz UAWOYMOZCHNGDU-GFCCVEGCSA-N 0 0 326.404 2.943 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)c2ccccc2F)cc1-c1nn[nH]n1 ZINC000737078204 944947973 /nfs/dbraw/zinc/94/79/73/944947973.db2.gz ZBJLZLFPWZOWLN-XYOKQWHBSA-N 0 0 349.325 2.804 20 50 EFGDRN C[C@@H]1C(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1c1ccccc1 ZINC000820641276 945504522 /nfs/dbraw/zinc/50/45/22/945504522.db2.gz BKDAQLNRPDVBQX-LRDDRELGSA-N 0 0 346.394 2.776 20 50 EFGDRN Cc1cccc(NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000822323669 946054602 /nfs/dbraw/zinc/05/46/02/946054602.db2.gz LZZQSCOGKZYWRR-WDZFZDKYSA-N 0 0 336.380 2.782 20 50 EFGDRN Cc1ccccc1C1CC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000822351098 946065374 /nfs/dbraw/zinc/06/53/74/946065374.db2.gz KOPZKWSCQKXSCM-UHFFFAOYSA-N 0 0 346.394 2.839 20 50 EFGDRN Cc1ccccc1NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1 ZINC000822362473 946070994 /nfs/dbraw/zinc/07/09/94/946070994.db2.gz VCVFOQZWHWVESS-IZZDOVSWSA-N 0 0 336.380 2.782 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)Nc1ccccc1Cl ZINC000822796522 946185485 /nfs/dbraw/zinc/18/54/85/946185485.db2.gz SZQDXXRBRQTQKB-VQHVLOKHSA-N 0 0 340.730 2.659 20 50 EFGDRN CC[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589735109 950527958 /nfs/dbraw/zinc/52/79/58/950527958.db2.gz XJEDODJZHXCLBK-MRXNPFEDSA-N 0 0 345.379 2.796 20 50 EFGDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](CBr)C1CC1 ZINC001595159376 952188322 /nfs/dbraw/zinc/18/83/22/952188322.db2.gz TWDQNULIMQVPNB-ZIAGYGMSSA-N 0 0 326.234 2.693 20 50 EFGDRN C[N@H+](CCO[Si](C)(C)C(C)(C)C)CC1(O)CCC(C(=O)[O-])CC1 ZINC001593753986 954434201 /nfs/dbraw/zinc/43/42/01/954434201.db2.gz TZJFFZVAABDWKP-UHFFFAOYSA-N 0 0 345.556 2.946 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=Cc2cccc(C(=O)[O-])c2)o1 ZINC000814821974 955363051 /nfs/dbraw/zinc/36/30/51/955363051.db2.gz DWEHNUVACTXURP-UHFFFAOYSA-N 0 0 343.383 2.584 20 50 EFGDRN CC(C)[C@H]([NH2+]CCP(=O)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC001588960692 962617328 /nfs/dbraw/zinc/61/73/28/962617328.db2.gz RYVDKUDGAHYKRZ-SFHVURJKSA-N 0 0 345.379 2.699 20 50 EFGDRN C[C@@H](CBr)C[N@@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001592210965 977258785 /nfs/dbraw/zinc/25/87/85/977258785.db2.gz HZBRCKOYBPISIO-GXFFZTMASA-N 0 0 328.206 2.538 20 50 EFGDRN C[C@@H](CBr)C[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213209 977272462 /nfs/dbraw/zinc/27/24/62/977272462.db2.gz XHBAUNUPOZQSDN-DTWKUNHWSA-N 0 0 333.251 2.662 20 50 EFGDRN C[C@@H](CBr)C[NH+]1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001592213424 977272668 /nfs/dbraw/zinc/27/26/68/977272668.db2.gz XMSAOMFPYZXVSO-VIFPVBQESA-N 0 0 331.210 2.583 20 50 EFGDRN CC[NH+](CC)[C@@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC001596253963 983659715 /nfs/dbraw/zinc/65/97/15/983659715.db2.gz UIDSZRXJFHLFKY-QGZVFWFLSA-N 0 0 341.411 2.911 20 50 EFGDRN CCOc1ccc(C[C@H](C[NH2+]C[C@@H]2[C@H](C)[C@@H]2Cl)C(=O)[O-])cc1 ZINC001597095370 986690197 /nfs/dbraw/zinc/69/01/97/986690197.db2.gz NKQVVQRCEZUJDM-ZCDTZLGTSA-N 0 0 325.836 2.792 20 50 EFGDRN C[C@@H]1[C@H](Cl)[C@@H]1C[NH+]1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001594187349 998725171 /nfs/dbraw/zinc/72/51/71/998725171.db2.gz GBBARYSTVUDENV-PXWWUCIGSA-N 0 0 328.865 2.969 20 50 EFGDRN C[C@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000824783414 607348093 /nfs/dbraw/zinc/34/80/93/607348093.db2.gz GLDBWXLCLLOFEP-IBGZPJMESA-N 0 0 348.410 2.604 20 50 EFGDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ccc(Cl)c(F)c1 ZINC000826249675 607400962 /nfs/dbraw/zinc/40/09/62/607400962.db2.gz OEVZXCUYLGBEFI-UHFFFAOYSA-N 0 0 346.753 2.725 20 50 EFGDRN O=C([O-])C[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)C1CC1 ZINC000833248218 601580690 /nfs/dbraw/zinc/58/06/90/601580690.db2.gz HVHSUKGNZJINHJ-UHFFFAOYSA-N 0 0 343.363 2.550 20 50 EFGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1coc2ccccc12 ZINC000823953514 607654607 /nfs/dbraw/zinc/65/46/07/607654607.db2.gz DINFAAMLCFMTJA-UHFFFAOYSA-N 0 0 346.350 2.767 20 50 EFGDRN CC(C)(C)c1ccccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824135375 607714443 /nfs/dbraw/zinc/71/44/43/607714443.db2.gz DZKUNRPZCSBNRE-UHFFFAOYSA-N 0 0 336.399 2.921 20 50 EFGDRN C[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000824385634 607719830 /nfs/dbraw/zinc/71/98/30/607719830.db2.gz YANQDBWBWSHSIG-LLVKDONJSA-N 0 0 340.362 2.643 20 50 EFGDRN O=C(C=Cc1ccc(Cl)s1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826401145 607723072 /nfs/dbraw/zinc/72/30/72/607723072.db2.gz QOHKKEWNERULRO-FNORWQNLSA-N 0 0 346.803 2.738 20 50 EFGDRN C[C@H](C(=O)[O-])[C@H]([NH2+]CCCI)c1ccccc1 ZINC000833406411 605840080 /nfs/dbraw/zinc/84/00/80/605840080.db2.gz FCPUMKLKIVRXCX-JQWIXIFHSA-N 0 0 347.196 2.863 20 50 EFGDRN Cn1c(C(C#N)=Cc2ccccc2-c2nn[nH]n2)nc2ccccc21 ZINC000826354987 607883689 /nfs/dbraw/zinc/88/36/89/607883689.db2.gz FJUQLDKHVVZTPW-JLHYYAGUSA-N 0 0 327.351 2.818 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826448060 607908812 /nfs/dbraw/zinc/90/88/12/607908812.db2.gz GMLNVSUEPSIIFJ-GZBFAFLISA-N 0 0 340.431 2.916 20 50 EFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379486 608217869 /nfs/dbraw/zinc/21/78/69/608217869.db2.gz SRLOBHDUUAQLBJ-MKMNVTDBSA-N 0 0 344.309 2.667 20 50 EFGDRN O=C(NNc1ccccc1Cl)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826449127 608812888 /nfs/dbraw/zinc/81/28/88/608812888.db2.gz CQBLZPNXPVBMKG-UHFFFAOYSA-N 0 0 347.741 2.808 20 50 EFGDRN Cc1ccc(NC(=O)NNc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000826291109 609498062 /nfs/dbraw/zinc/49/80/62/609498062.db2.gz PRQRYCRRKBARNZ-UHFFFAOYSA-N 0 0 343.778 2.977 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1C=O ZINC000792822248 1279183445 /nfs/dbraw/zinc/18/34/45/1279183445.db2.gz IXNIAFDOBXCGME-UHFFFAOYSA-N 0 0 344.798 2.773 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc1C=O ZINC000792843749 1279213023 /nfs/dbraw/zinc/21/30/23/1279213023.db2.gz QLERXAVOKMTGMX-UHFFFAOYSA-N 0 0 335.363 2.672 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)c2ccsc2)cc1-c1nn[nH]n1 ZINC000737074469 944946243 /nfs/dbraw/zinc/94/62/43/944946243.db2.gz GJHZNHDOMXETIL-WUXMJOGZSA-N 0 0 337.364 2.727 20 50 EFGDRN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000820648606 945508280 /nfs/dbraw/zinc/50/82/80/945508280.db2.gz CUJWJJWGEHORIE-SMDDNHRTSA-N 0 0 343.435 2.708 20 50 EFGDRN C[C@]([NH2+]C[C@@H](CBr)C1CC1)(C(=O)[O-])c1ccccc1 ZINC001589123763 956150436 /nfs/dbraw/zinc/15/04/36/956150436.db2.gz WFKWRLXMVUWBNL-IUODEOHRSA-N 0 0 326.234 2.997 20 50 EFGDRN COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001593966550 956553486 /nfs/dbraw/zinc/55/34/86/956553486.db2.gz FUOJYFXEKIDSSW-QGZVFWFLSA-N 0 0 341.835 2.617 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@@H]2C)o1 ZINC001324253743 961029548 /nfs/dbraw/zinc/02/95/48/961029548.db2.gz KXZLFEUGWGVQKR-QWHCGFSZSA-N 0 0 349.431 2.728 20 50 EFGDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]C[C@@H](CBr)C1CC1 ZINC001595192815 970324468 /nfs/dbraw/zinc/32/44/68/970324468.db2.gz TWDQNULIMQVPNB-KGLIPLIRSA-N 0 0 326.234 2.693 20 50 EFGDRN C[C@@H](CBr)C[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213373 977272646 /nfs/dbraw/zinc/27/26/46/977272646.db2.gz XHBAUNUPOZQSDN-IUCAKERBSA-N 0 0 333.251 2.662 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=Cc2ccccc2C(=O)[O-])o1 ZINC000746494766 978685533 /nfs/dbraw/zinc/68/55/33/978685533.db2.gz SCZPHUFFJDTVCL-UHFFFAOYSA-N 0 0 343.383 2.584 20 50 EFGDRN CC(=NNC(=O)[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(C(=O)[O-])cc1 ZINC000825798269 978941441 /nfs/dbraw/zinc/94/14/41/978941441.db2.gz GCOGAJUISOXZLT-AWEZNQCLSA-N 0 0 345.443 2.593 20 50 EFGDRN Cc1ccccc1[C@@H](C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826306459 607337870 /nfs/dbraw/zinc/33/78/70/607337870.db2.gz ZMLAPVNBRITNRC-ZDUSSCGKSA-N 0 0 336.399 2.812 20 50 EFGDRN O=C(C[C@H]1CCc2ccccc2C1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826404853 607340782 /nfs/dbraw/zinc/34/07/82/607340782.db2.gz NSAVJVFVAWPNKL-ZDUSSCGKSA-N 0 0 348.410 2.505 20 50 EFGDRN C[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1 ZINC000824039990 607349882 /nfs/dbraw/zinc/34/98/82/607349882.db2.gz KHMPOPOKBFGRSF-SNVBAGLBSA-N 0 0 342.790 2.767 20 50 EFGDRN CC(C)=C[C@@H]1[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1(C)C ZINC000824178486 607721609 /nfs/dbraw/zinc/72/16/09/607721609.db2.gz UNMIRVKJUNHTQQ-ZIAGYGMSSA-N 0 0 326.404 2.548 20 50 EFGDRN O=C(C=Cc1ccc(Cl)cc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826400471 607723243 /nfs/dbraw/zinc/72/32/43/607723243.db2.gz ZUZVWWUCMIHGOU-RMKNXTFCSA-N 0 0 340.774 2.677 20 50 EFGDRN CC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+](CC)CC ZINC000833636309 605244044 /nfs/dbraw/zinc/24/40/44/605244044.db2.gz NSPHDQXLBSGXKO-CYBMUJFWSA-N 0 0 327.812 2.602 20 50 EFGDRN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000833602420 605260097 /nfs/dbraw/zinc/26/00/97/605260097.db2.gz JJXIRRGHQIZHHZ-AXFHLTTASA-N 0 0 339.823 2.743 20 50 EFGDRN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000833602422 605260212 /nfs/dbraw/zinc/26/02/12/605260212.db2.gz JJXIRRGHQIZHHZ-MXWKQRLJSA-N 0 0 339.823 2.743 20 50 EFGDRN C[C@@H](C(=O)[O-])[C@H]([NH2+]CCCI)c1ccccc1 ZINC000833406412 605839988 /nfs/dbraw/zinc/83/99/88/605839988.db2.gz FCPUMKLKIVRXCX-PWSUYJOCSA-N 0 0 347.196 2.863 20 50 EFGDRN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CCCI)C1 ZINC000833421543 605842668 /nfs/dbraw/zinc/84/26/68/605842668.db2.gz RDMFUSYTCWJMHI-JTQLQIEISA-N 0 0 339.217 2.634 20 50 EFGDRN CCc1ccc(NC(=O)C(C#N)=Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000825712358 607883326 /nfs/dbraw/zinc/88/33/26/607883326.db2.gz OYJRCYWZMKFZKD-PTNGSMBKSA-N 0 0 344.378 2.975 20 50 EFGDRN COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826214951 608214728 /nfs/dbraw/zinc/21/47/28/608214728.db2.gz BQDPYPLIABIWLP-NVNXTCNLSA-N 0 0 331.335 2.665 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826191060 608214997 /nfs/dbraw/zinc/21/49/97/608214997.db2.gz VZRGSCBQEGVFBK-VGOFMYFVSA-N 0 0 349.325 2.804 20 50 EFGDRN CC(C)(C)c1n[nH]cc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824135074 608216149 /nfs/dbraw/zinc/21/61/49/608216149.db2.gz APRVTVGMYWEPFH-JYRVWZFOSA-N 0 0 347.382 2.677 20 50 EFGDRN Cn1ccc2ccc(NC(=O)NNc3cccc(-c4nn[nH]n4)c3)cc21 ZINC000826363330 608814645 /nfs/dbraw/zinc/81/46/45/608814645.db2.gz IAANOCKGVYXQPY-UHFFFAOYSA-N 0 0 348.370 2.507 20 50 EFGDRN Cc1cc(Cl)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826267529 609297490 /nfs/dbraw/zinc/29/74/90/609297490.db2.gz JRJQMGWFNTYBKR-UHFFFAOYSA-N 0 0 342.790 2.894 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1C=O ZINC000792764549 1279145342 /nfs/dbraw/zinc/14/53/42/1279145342.db2.gz URVJMHOJBFOFBI-UHFFFAOYSA-N 0 0 347.374 2.739 20 50 EFGDRN N#CC(C#N)=CNc1ccc(OCc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000737670484 945109294 /nfs/dbraw/zinc/10/92/94/945109294.db2.gz CCDGCSRBTSLBCO-UHFFFAOYSA-N 0 0 343.350 2.789 20 50 EFGDRN O=C(NN=Cc1csc2ccccc12)c1cccc(-c2nn[nH]n2)c1 ZINC000738129690 945204569 /nfs/dbraw/zinc/20/45/69/945204569.db2.gz HKNHZBFASKQBTP-UHFFFAOYSA-N 0 0 348.391 2.845 20 50 EFGDRN CN(C(=O)C(C#N)=Cc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736732735 944881503 /nfs/dbraw/zinc/88/15/03/944881503.db2.gz PPDKZTNNAHJHIL-PTNGSMBKSA-N 0 0 336.399 2.565 20 50 EFGDRN COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1 ZINC000737137120 944966153 /nfs/dbraw/zinc/96/61/53/944966153.db2.gz DUGGMVNVKTZRER-GXDHUFHOSA-N 0 0 331.335 2.665 20 50 EFGDRN CCC[C@@H](C)C(CC)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821016075 945613561 /nfs/dbraw/zinc/61/35/61/945613561.db2.gz VFHYUQVMJILQEL-GFCCVEGCSA-N 0 0 344.419 2.564 20 50 EFGDRN CN(C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccccc1 ZINC000821569632 945719031 /nfs/dbraw/zinc/71/90/31/945719031.db2.gz QEUVDQYGMUZYBU-NTEUORMPSA-N 0 0 348.341 2.576 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)C2CCCCC2)cc1-c1nn[nH]n1 ZINC000821786829 945865367 /nfs/dbraw/zinc/86/53/67/945865367.db2.gz KFPBUBDJUWAGOR-ZROIWOOFSA-N 0 0 337.383 2.932 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000822796245 946183250 /nfs/dbraw/zinc/18/32/50/946183250.db2.gz NKDBEVDLCGIXBA-YFHOEESVSA-N 0 0 330.307 2.731 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1ccc(F)cc1 ZINC000822796454 946185715 /nfs/dbraw/zinc/18/57/15/946185715.db2.gz RMSXUZBFHDQLJE-VQHVLOKHSA-N 0 0 340.343 2.613 20 50 EFGDRN C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cc2ccccc2o1 ZINC001573727730 948557563 /nfs/dbraw/zinc/55/75/63/948557563.db2.gz BUPOFWQULOSGSM-LLVKDONJSA-N 0 0 348.366 2.860 20 50 EFGDRN CC(C)c1ccc(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001574416764 948760280 /nfs/dbraw/zinc/76/02/80/948760280.db2.gz HDCMKPNXBMXKSU-UHFFFAOYSA-N 0 0 336.399 2.676 20 50 EFGDRN CC(CC(C)(C)CC(=O)[O-])=NNC(=O)CC[NH+]1CCCCCC1 ZINC001592443841 978099776 /nfs/dbraw/zinc/09/97/76/978099776.db2.gz HBNDIOMIQPUVTJ-UHFFFAOYSA-N 0 0 325.453 2.636 20 50 EFGDRN CC[C@@]([NH2+]CCCI)(C(=O)[O-])c1ccccc1 ZINC001595291643 980393646 /nfs/dbraw/zinc/39/36/46/980393646.db2.gz BPUKCIMIHCJRQA-ZDUSSCGKSA-N 0 0 347.196 2.791 20 50 EFGDRN CC[N@H+](CC(=O)[O-])CC1(O[Si](C)(C)C(C)(C)C)CCOCC1 ZINC001596224876 983615378 /nfs/dbraw/zinc/61/53/78/983615378.db2.gz HMYRKRAGBYANSU-UHFFFAOYSA-N 0 0 331.529 2.964 20 50 EFGDRN CCOc1ccc(C[C@H](C[NH2+]C[C@@H]2[C@@H](C)[C@H]2Cl)C(=O)[O-])cc1 ZINC001597095369 986689954 /nfs/dbraw/zinc/68/99/54/986689954.db2.gz NKQVVQRCEZUJDM-UIBBOPPKSA-N 0 0 325.836 2.792 20 50 EFGDRN CCCCc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825296766 607335619 /nfs/dbraw/zinc/33/56/19/607335619.db2.gz VMVPFJSBOSFPJZ-UHFFFAOYSA-N 0 0 336.399 2.966 20 50 EFGDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826293557 607344247 /nfs/dbraw/zinc/34/42/47/607344247.db2.gz TXFHJNNYLXHACU-UHFFFAOYSA-N 0 0 347.382 2.722 20 50 EFGDRN O=C(C=Cc1ccc(Cl)s1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826400500 607347264 /nfs/dbraw/zinc/34/72/64/607347264.db2.gz AHNKWEYIKBKAOR-SOFGYWHQSA-N 0 0 346.803 2.738 20 50 EFGDRN CCC=C(C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825219268 607395979 /nfs/dbraw/zinc/39/59/79/607395979.db2.gz ISKBFAIRQXEYGT-XBXARRHUSA-N 0 0 340.309 2.685 20 50 EFGDRN CCCC=CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825259213 607396237 /nfs/dbraw/zinc/39/62/37/607396237.db2.gz GXZDUERJVWOUMW-PLNGDYQASA-N 0 0 340.309 2.685 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1cccc(Cl)c1 ZINC000826446323 607672334 /nfs/dbraw/zinc/67/23/34/607672334.db2.gz HRAUMEPQAGFCEZ-UHFFFAOYSA-N 0 0 329.751 2.669 20 50 EFGDRN O=C(C[C@@H]1CCc2ccccc2C1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826405062 607714019 /nfs/dbraw/zinc/71/40/19/607714019.db2.gz UXMMEVZOBJWFHM-CYBMUJFWSA-N 0 0 348.410 2.505 20 50 EFGDRN Cc1ccc(/C=C/CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826285529 607719099 /nfs/dbraw/zinc/71/90/99/607719099.db2.gz BVYKILUUZIABBR-DUXPYHPUSA-N 0 0 334.383 2.722 20 50 EFGDRN O=C(C=CSc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826399967 607722973 /nfs/dbraw/zinc/72/29/73/607722973.db2.gz LMTXQXODMKWICP-KTKRTIGZSA-N 0 0 338.396 2.616 20 50 EFGDRN COc1ccsc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826221567 608216622 /nfs/dbraw/zinc/21/66/22/608216622.db2.gz KXZNGQZEGRZLAJ-XYOKQWHBSA-N 0 0 337.364 2.727 20 50 EFGDRN Cc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c(Cl)c1 ZINC000826290984 608801929 /nfs/dbraw/zinc/80/19/29/608801929.db2.gz JZLAMRLUVPRJEV-UHFFFAOYSA-N 0 0 343.778 2.977 20 50 EFGDRN C[C@@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC(C)(C)C1 ZINC000824866758 609164425 /nfs/dbraw/zinc/16/44/25/609164425.db2.gz NHRLYMTYYHIXGT-YPMHNXCESA-N 0 0 328.420 2.772 20 50 EFGDRN CCCc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736497939 944835468 /nfs/dbraw/zinc/83/54/68/944835468.db2.gz VXYRVGQZASADBF-UHFFFAOYSA-N 0 0 348.410 2.973 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)c2ccccc2F)cc1-c1nn[nH]n1 ZINC000737078203 944949250 /nfs/dbraw/zinc/94/92/50/944949250.db2.gz ZBJLZLFPWZOWLN-WQLSENKSSA-N 0 0 349.325 2.804 20 50 EFGDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000820648603 945508838 /nfs/dbraw/zinc/50/88/38/945508838.db2.gz CUJWJJWGEHORIE-BXUZGUMPSA-N 0 0 343.435 2.708 20 50 EFGDRN Cc1cccc(C)c1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822294414 946049460 /nfs/dbraw/zinc/04/94/60/946049460.db2.gz ZYVINTSVODXOPF-XYOKQWHBSA-N 0 0 334.339 2.622 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1ccccc1F ZINC000822796298 946182128 /nfs/dbraw/zinc/18/21/28/946182128.db2.gz PKWRMMQVJANUKK-CLFYSBASSA-N 0 0 325.328 2.857 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1cccc(Cl)c1 ZINC000822796730 946188282 /nfs/dbraw/zinc/18/82/82/946188282.db2.gz XBWKJMLWAHZHIO-YFHOEESVSA-N 0 0 325.715 2.903 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@H]2C)o1 ZINC001324253742 961029056 /nfs/dbraw/zinc/02/90/56/961029056.db2.gz KXZLFEUGWGVQKR-OLZOCXBDSA-N 0 0 349.431 2.728 20 50 EFGDRN C=C(CBr)C[NH2+][C@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001588606213 983696492 /nfs/dbraw/zinc/69/64/92/983696492.db2.gz SKGUFAYQRQKNOP-CYBMUJFWSA-N 0 0 338.201 2.969 20 50 EFGDRN C=C(CBr)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC001588606269 983696868 /nfs/dbraw/zinc/69/68/68/983696868.db2.gz UMRXORNHIZBSNM-BDAKNGLRSA-N 0 0 330.144 2.523 20 50 EFGDRN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+]1CCCCCC1 ZINC001589423686 986681883 /nfs/dbraw/zinc/68/18/83/986681883.db2.gz PGJIOKIOUKRRIU-NSHDSACASA-N 0 0 339.823 2.746 20 50 EFGDRN C[NH+](C)[C@@H](CC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001598164757 990676549 /nfs/dbraw/zinc/67/65/49/990676549.db2.gz FHJTWPYGYDENOX-INIZCTEOSA-N 0 0 345.374 2.660 20 50 EFGDRN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2[N@@H+]1C[C@@H](CBr)C1CC1 ZINC001594338312 999299120 /nfs/dbraw/zinc/29/91/20/999299120.db2.gz AXPCXANENSKOGG-KVRLPLMBSA-N 0 0 346.265 2.503 20 50 EFGDRN Cc1cc(Cl)ccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826267476 607334403 /nfs/dbraw/zinc/33/44/03/607334403.db2.gz HPPUDQGIEWXKHG-UHFFFAOYSA-N 0 0 328.763 2.585 20 50 EFGDRN CC(=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(F)cc1 ZINC000823943934 607351138 /nfs/dbraw/zinc/35/11/38/607351138.db2.gz VKBXBTNOWFANNX-ZHACJKMWSA-N 0 0 338.346 2.552 20 50 EFGDRN O=C(CCc1ccc(Cl)cc1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826408533 607355535 /nfs/dbraw/zinc/35/55/35/607355535.db2.gz KOQQQYCLZMELFL-UHFFFAOYSA-N 0 0 342.790 2.596 20 50 EFGDRN O=C(NNc1ccc(Cl)cc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000826447409 607712144 /nfs/dbraw/zinc/71/21/44/607712144.db2.gz DMZBUFPKIVPDCU-UHFFFAOYSA-N 0 0 349.181 2.930 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1occc1-c1ccccc1 ZINC000826449425 607718215 /nfs/dbraw/zinc/71/82/15/607718215.db2.gz RRUUTFZUYMAIJT-UHFFFAOYSA-N 0 0 346.350 2.884 20 50 EFGDRN CC(=Cc1ccc(F)cc1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000823943660 607720259 /nfs/dbraw/zinc/72/02/59/607720259.db2.gz RCHKKFUJXOOOKD-LUAWRHEFSA-N 0 0 338.346 2.552 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc(-c2ccccc2)[nH]1 ZINC000826448691 607727304 /nfs/dbraw/zinc/72/73/04/607727304.db2.gz HFWFPHXVIGANEA-UHFFFAOYSA-N 0 0 345.366 2.619 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826448063 607908624 /nfs/dbraw/zinc/90/86/24/607908624.db2.gz GMLNVSUEPSIIFJ-VNHYZAJKSA-N 0 0 340.431 2.916 20 50 EFGDRN COc1cc(C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000826177471 608328797 /nfs/dbraw/zinc/32/87/97/608328797.db2.gz JSVNMEWMXSKFIZ-ZSOIEALJSA-N 0 0 348.322 2.848 20 50 EFGDRN CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825182974 608750185 /nfs/dbraw/zinc/75/01/85/608750185.db2.gz MUAMLXLBAABZGM-RYUDHWBXSA-N 0 0 326.404 2.799 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)c2ccc(Cl)cc2F)cc1C=O ZINC000793602470 1279766545 /nfs/dbraw/zinc/76/65/45/1279766545.db2.gz VFLJGONHAJDTNW-UHFFFAOYSA-N 0 0 348.761 2.983 20 50 EFGDRN COC(=O)c1ccccc1NNC(=O)c1cc(C=O)c(C)cc1C ZINC000793777455 1279888993 /nfs/dbraw/zinc/88/89/93/1279888993.db2.gz SYKDWTNWKOKIGC-UHFFFAOYSA-N 0 0 326.352 2.659 20 50 EFGDRN CC(CCC1CCCC1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735983976 944730856 /nfs/dbraw/zinc/73/08/56/944730856.db2.gz ALGFGZMSPYXZLY-UHFFFAOYSA-N 0 0 326.404 2.943 20 50 EFGDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000736262149 944779883 /nfs/dbraw/zinc/77/98/83/944779883.db2.gz MOUNVZOVWUFXBX-CHWSQXEVSA-N 0 0 343.435 2.709 20 50 EFGDRN CC[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736365162 944811100 /nfs/dbraw/zinc/81/11/00/944811100.db2.gz VKFYIVZYKQTRCL-HNNXBMFYSA-N 0 0 343.435 2.852 20 50 EFGDRN C[C@@H]1CCCC[C@H]1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000820703751 945530717 /nfs/dbraw/zinc/53/07/17/945530717.db2.gz JZFPONRUFDOLPA-CSCCQICZSA-N 0 0 342.428 2.530 20 50 EFGDRN CCC[C@@H](C)C(CC)=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000821015932 945613791 /nfs/dbraw/zinc/61/37/91/945613791.db2.gz TXEXINCDSZIGKV-GFCCVEGCSA-N 0 0 344.419 2.564 20 50 EFGDRN CN(C(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1)C1CCCCC1 ZINC000821569370 945718793 /nfs/dbraw/zinc/71/87/93/945718793.db2.gz IBXONZBCHWKNRV-YRNVUSSQSA-N 0 0 342.428 2.626 20 50 EFGDRN COc1cccc(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000821854661 945884927 /nfs/dbraw/zinc/88/49/27/945884927.db2.gz QTHJCVFPTYUPHO-WDZFZDKYSA-N 0 0 337.364 2.727 20 50 EFGDRN Cc1ccc(NC(=O)NN=Cc2ccc(-c3nn[nH]n3)o2)c(Cl)c1 ZINC000822248891 946032771 /nfs/dbraw/zinc/03/27/71/946032771.db2.gz SGYCCFVQNFWWHM-UHFFFAOYSA-N 0 0 345.750 2.577 20 50 EFGDRN Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nn[nH]n4)cc3F)nc21 ZINC000822380150 946077732 /nfs/dbraw/zinc/07/77/32/946077732.db2.gz ZHRDJSYCOLODHH-SDQBBNPISA-N 0 0 346.329 2.650 20 50 EFGDRN Cn1c2ccccc2nc1C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000822596502 946133017 /nfs/dbraw/zinc/13/30/17/946133017.db2.gz MWNRPQHGMFUOQZ-CSKARUKUSA-N 0 0 333.380 2.879 20 50 EFGDRN O=C(NN(c1ccccc1)c1ccccc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823269430 946363330 /nfs/dbraw/zinc/36/33/30/946363330.db2.gz GIOIDDGQZZLMAQ-UHFFFAOYSA-N 0 0 345.366 2.678 20 50 EFGDRN C[C@@]([NH2+]C[C@H](CBr)C1CC1)(C(=O)[O-])c1ccccc1 ZINC001589123769 956150110 /nfs/dbraw/zinc/15/01/10/956150110.db2.gz WFKWRLXMVUWBNL-WFASDCNBSA-N 0 0 326.234 2.997 20 50 EFGDRN C[C@H](CBr)C[N@@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001592210495 977254814 /nfs/dbraw/zinc/25/48/14/977254814.db2.gz DOYCSGYWABXRAU-SECBINFHSA-N 0 0 330.197 2.913 20 50 EFGDRN C[C@H](CBr)C[N@@H+]1CCOc2ccccc2[C@@H]1C(=O)[O-] ZINC001592210971 977258469 /nfs/dbraw/zinc/25/84/69/977258469.db2.gz HZBRCKOYBPISIO-ZWNOBZJWSA-N 0 0 328.206 2.538 20 50 EFGDRN C[C@@H](CBr)C[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001592213198 977272200 /nfs/dbraw/zinc/27/22/00/977272200.db2.gz XDWKYRBYHVMBER-IACUBPJLSA-N 0 0 326.234 2.818 20 50 EFGDRN C[C@H](CBr)C[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213208 977272358 /nfs/dbraw/zinc/27/23/58/977272358.db2.gz XHBAUNUPOZQSDN-BDAKNGLRSA-N 0 0 333.251 2.662 20 50 EFGDRN C[C@H](C[N@H+](C)CCP(=O)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736576894 978343923 /nfs/dbraw/zinc/34/39/23/978343923.db2.gz OZZZBMKYJDVACW-MRXNPFEDSA-N 0 0 345.379 2.653 20 50 EFGDRN O=C([O-])CCC[NH+]1CCC(=NNC(=O)CCC2CCCCC2)CC1 ZINC000739672576 978648611 /nfs/dbraw/zinc/64/86/11/978648611.db2.gz SSIDOBAHYPQNFD-UHFFFAOYSA-N 0 0 337.464 2.780 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=Cc2ccc(C(=O)[O-])cc2)o1 ZINC000746491004 978685699 /nfs/dbraw/zinc/68/56/99/978685699.db2.gz XFLJYXWCFCCJSA-UHFFFAOYSA-N 0 0 343.383 2.584 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2F)o1 ZINC001596276126 983695640 /nfs/dbraw/zinc/69/56/40/983695640.db2.gz ZBEFWXOTTYNOBY-UHFFFAOYSA-N 0 0 349.362 2.716 20 50 EFGDRN C[C@@H]1[C@@H](Cl)[C@@H]1C[NH+]1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001594187346 998724889 /nfs/dbraw/zinc/72/48/89/998724889.db2.gz GBBARYSTVUDENV-DRCTWCGVSA-N 0 0 328.865 2.969 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1occc1-c1ccccc1 ZINC000826447373 607343785 /nfs/dbraw/zinc/34/37/85/607343785.db2.gz BXSNDYUFQCJCKL-UHFFFAOYSA-N 0 0 346.350 2.884 20 50 EFGDRN Cc1cc(Cl)cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826267763 607348007 /nfs/dbraw/zinc/34/80/07/607348007.db2.gz VPRCTSZRJVLIDC-UHFFFAOYSA-N 0 0 328.763 2.585 20 50 EFGDRN CCSc1ccccc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825673764 607352775 /nfs/dbraw/zinc/35/27/75/607352775.db2.gz AVVQMOGQYOGAKX-UHFFFAOYSA-N 0 0 340.412 2.736 20 50 EFGDRN Cc1cc(C)c(C=CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000826262918 607352800 /nfs/dbraw/zinc/35/28/00/607352800.db2.gz CUZOEUIWCSRQEO-TWGQIWQCSA-N 0 0 348.410 2.948 20 50 EFGDRN O=C(C[C@@H]1CCCc2ccccc21)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826405259 607356663 /nfs/dbraw/zinc/35/66/63/607356663.db2.gz ZUYCUVUEWQVEBF-HNNXBMFYSA-N 0 0 348.410 2.820 20 50 EFGDRN Cc1ccc(CCCC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826287531 607719129 /nfs/dbraw/zinc/71/91/29/607719129.db2.gz SLYXLBGHGGECIP-UHFFFAOYSA-N 0 0 336.399 2.641 20 50 EFGDRN CCSc1ccccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825674365 607731549 /nfs/dbraw/zinc/73/15/49/607731549.db2.gz KLJFENOENMIZJB-UHFFFAOYSA-N 0 0 340.412 2.736 20 50 EFGDRN C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833614952 605742163 /nfs/dbraw/zinc/74/21/63/605742163.db2.gz YAERQXCAHVVQHF-ZDUSSCGKSA-N 0 0 348.447 2.521 20 50 EFGDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](CCCI)C1 ZINC000833421544 605842640 /nfs/dbraw/zinc/84/26/40/605842640.db2.gz RDMFUSYTCWJMHI-SNVBAGLBSA-N 0 0 339.217 2.634 20 50 EFGDRN CC(C)(C)c1ccc(C(=O)NN=Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000824137221 607882567 /nfs/dbraw/zinc/88/25/67/607882567.db2.gz YVYRUAWKOFODKT-UHFFFAOYSA-N 0 0 348.410 2.928 20 50 EFGDRN N#CC(=Cc1c(F)cccc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379171 608213570 /nfs/dbraw/zinc/21/35/70/608213570.db2.gz KVUNAXBSVVWVSQ-XYOKQWHBSA-N 0 0 337.289 2.935 20 50 EFGDRN COc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826214952 608214667 /nfs/dbraw/zinc/21/46/67/608214667.db2.gz BQDPYPLIABIWLP-OVCLIPMQSA-N 0 0 331.335 2.665 20 50 EFGDRN N#CC(=Cc1ccc(F)c(C#N)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378955 608216942 /nfs/dbraw/zinc/21/69/42/608216942.db2.gz FUOKLLQYRWRQCB-VIZOYTHASA-N 0 0 344.309 2.667 20 50 EFGDRN CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825182973 608750427 /nfs/dbraw/zinc/75/04/27/608750427.db2.gz MUAMLXLBAABZGM-NWDGAFQWSA-N 0 0 326.404 2.799 20 50 EFGDRN Cc1cc(C)c(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826263497 608801768 /nfs/dbraw/zinc/80/17/68/608801768.db2.gz DTWBYURZILFUNT-UHFFFAOYSA-N 0 0 337.387 2.941 20 50 EFGDRN Cc1c(Cl)cccc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826236926 608802320 /nfs/dbraw/zinc/80/23/20/608802320.db2.gz HKEPBXANAJIMIL-UHFFFAOYSA-N 0 0 343.778 2.977 20 50 EFGDRN Cc1ccc(Cl)cc1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826289411 608805066 /nfs/dbraw/zinc/80/50/66/608805066.db2.gz YYFXXERJYFZTTR-UHFFFAOYSA-N 0 0 343.778 2.977 20 50 EFGDRN C[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC(C)(C)C1 ZINC000824864977 609164267 /nfs/dbraw/zinc/16/42/67/609164267.db2.gz GLBBYDYBZQPLQI-DGCLKSJQSA-N 0 0 328.420 2.772 20 50 EFGDRN Cc1cc(C)c(C(=O)NNc2cc(C#N)cc(Cl)n2)cc1C=O ZINC000793757459 1279839840 /nfs/dbraw/zinc/83/98/40/1279839840.db2.gz BOWPFZAKWBCOJY-UHFFFAOYSA-N 0 0 328.759 2.793 20 50 EFGDRN CC(C)(C)c1ccc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000735648494 944683469 /nfs/dbraw/zinc/68/34/69/944683469.db2.gz GUNQMEAKKUSKKX-UHFFFAOYSA-N 0 0 348.410 2.928 20 50 EFGDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000735749625 944696469 /nfs/dbraw/zinc/69/64/69/944696469.db2.gz NTNXQRXKMBMIEN-HUUCEWRRSA-N 0 0 343.435 2.708 20 50 EFGDRN CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000736303076 944791365 /nfs/dbraw/zinc/79/13/65/944791365.db2.gz HTFNJTWWSJKRGZ-UHFFFAOYSA-N 0 0 326.404 2.943 20 50 EFGDRN CC[C@H](C(=O)NN=Cc1cc(-c2nn[nH]n2)cs1)c1ccccc1 ZINC000820843417 945570316 /nfs/dbraw/zinc/57/03/16/945570316.db2.gz YPDCZIBNNUAQCM-AWEZNQCLSA-N 0 0 340.412 2.572 20 50 EFGDRN CN(C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1)C1CCCCC1 ZINC000821569575 945718463 /nfs/dbraw/zinc/71/84/63/945718463.db2.gz OOYPZAYDPGLRQX-LUAWRHEFSA-N 0 0 342.428 2.626 20 50 EFGDRN Cc1cc(C)c(NNC(=O)c2ccc(-c3nn[nH]n3)s2)c(C)c1 ZINC000822193965 945978335 /nfs/dbraw/zinc/97/83/35/945978335.db2.gz BPLQHDDDZGYAMN-UHFFFAOYSA-N 0 0 328.401 2.610 20 50 EFGDRN Cc1ccccc1NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1 ZINC000822362474 946070177 /nfs/dbraw/zinc/07/01/77/946070177.db2.gz VCVFOQZWHWVESS-WDZFZDKYSA-N 0 0 336.380 2.782 20 50 EFGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccccc1F ZINC000822795618 946174228 /nfs/dbraw/zinc/17/42/28/946174228.db2.gz DDLJOOOGTUMWSS-WEVVVXLNSA-N 0 0 325.328 2.857 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1ccc(F)cc1 ZINC000822796080 946180464 /nfs/dbraw/zinc/18/04/64/946180464.db2.gz LXSZQZUGBYEJQE-QPEQYQDCSA-N 0 0 337.289 2.935 20 50 EFGDRN O=C(NN=C[C@@H]1CCCc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000823269817 946367064 /nfs/dbraw/zinc/36/70/64/946367064.db2.gz POGIQUJWZPWCEZ-INIZCTEOSA-N 0 0 346.394 2.702 20 50 EFGDRN O=C(NN=Cc1ccc(-c2nn[nH]n2)s1)c1ccc2ccccc2c1 ZINC000823273764 946388437 /nfs/dbraw/zinc/38/84/37/946388437.db2.gz XCDSORUCEZVDCP-UHFFFAOYSA-N 0 0 348.391 2.845 20 50 EFGDRN CC(C)c1ccc(NNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC001574418538 948780405 /nfs/dbraw/zinc/78/04/05/948780405.db2.gz XXPMYOVTZLYPSW-UHFFFAOYSA-N 0 0 328.401 2.809 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=C2CC[C@H](CC(=O)[O-])[C@H]2C)o1 ZINC001324253741 961029637 /nfs/dbraw/zinc/02/96/37/961029637.db2.gz KXZLFEUGWGVQKR-CHWSQXEVSA-N 0 0 349.431 2.728 20 50 EFGDRN C[NH+](C)[C@H](CC(=O)NNc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC001598164758 990676513 /nfs/dbraw/zinc/67/65/13/990676513.db2.gz FHJTWPYGYDENOX-MRXNPFEDSA-N 0 0 345.374 2.660 20 50 EFGDRN C[NH+](C)C1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCCCCC1 ZINC001598182827 990747019 /nfs/dbraw/zinc/74/70/19/990747019.db2.gz LHUYEPLKNIKXFN-UHFFFAOYSA-N 0 0 348.447 2.666 20 50 EFGDRN CC(C)CC1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCC1 ZINC000824235365 607344865 /nfs/dbraw/zinc/34/48/65/607344865.db2.gz GLONOWCHUXTWGV-UHFFFAOYSA-N 0 0 328.420 2.916 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1(Cc2ccccc2)CCC1 ZINC000826446328 607347281 /nfs/dbraw/zinc/34/72/81/607347281.db2.gz HYBPHRIYHQGRQA-UHFFFAOYSA-N 0 0 348.410 2.723 20 50 EFGDRN CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824185361 607347640 /nfs/dbraw/zinc/34/76/40/607347640.db2.gz XCTIBTCIRNLTRL-MRXNPFEDSA-N 0 0 336.399 2.750 20 50 EFGDRN C[C@H](CCC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824400626 607560859 /nfs/dbraw/zinc/56/08/59/607560859.db2.gz JLBMPGRQGNGVCE-CYBMUJFWSA-N 0 0 336.399 2.894 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)Nc1cccc2cccnc21 ZINC000826446547 607672371 /nfs/dbraw/zinc/67/23/71/607672371.db2.gz PUAPLSFGYGTTQX-UHFFFAOYSA-N 0 0 346.354 2.564 20 50 EFGDRN CC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+](CC)CC ZINC000833636310 605243950 /nfs/dbraw/zinc/24/39/50/605243950.db2.gz NSPHDQXLBSGXKO-ZDUSSCGKSA-N 0 0 327.812 2.602 20 50 EFGDRN C[C@H](NC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000824471162 607883230 /nfs/dbraw/zinc/88/32/30/607883230.db2.gz OSPODMXGNKBLFM-XDUBLRSXSA-N 0 0 344.378 2.651 20 50 EFGDRN N#CC(=Cc1cc(F)ccc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379034 608216906 /nfs/dbraw/zinc/21/69/06/608216906.db2.gz HNSVWODNCKCDLE-QPEQYQDCSA-N 0 0 337.289 2.935 20 50 EFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1ccsc1 ZINC000826378854 608877183 /nfs/dbraw/zinc/87/71/83/608877183.db2.gz BWMJLTXKBLTQKX-WZUFQYTHSA-N 0 0 325.328 2.857 20 50 EFGDRN CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H](C)c1ccccc1 ZINC000819772564 945284172 /nfs/dbraw/zinc/28/41/72/945284172.db2.gz GOPJITPNYSMOTJ-GFCCVEGCSA-N 0 0 334.383 2.776 20 50 EFGDRN C=C(C)[C@@H]1CC=C(C)C(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000735398601 944645220 /nfs/dbraw/zinc/64/52/20/944645220.db2.gz KPRLFSNMTLDRNI-CYBMUJFWSA-N 0 0 336.399 2.885 20 50 EFGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1Cl ZINC000735450788 944658642 /nfs/dbraw/zinc/65/86/42/944658642.db2.gz DHBIYHOJUQOMPT-UHFFFAOYSA-N 0 0 340.774 2.674 20 50 EFGDRN CC1(C)CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c2ccccc21 ZINC000736203783 944759934 /nfs/dbraw/zinc/75/99/34/944759934.db2.gz CYRYKVMDIUELQH-UHFFFAOYSA-N 0 0 346.394 2.682 20 50 EFGDRN CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccc(C)cc1 ZINC000736301798 944791126 /nfs/dbraw/zinc/79/11/26/944791126.db2.gz BQEGFPMLAZLHOW-UHFFFAOYSA-N 0 0 334.383 2.719 20 50 EFGDRN CCCC(Cc1ccccc1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736427125 944816916 /nfs/dbraw/zinc/81/69/16/944816916.db2.gz UHLJLTSUESHYHD-UHFFFAOYSA-N 0 0 348.410 2.995 20 50 EFGDRN Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nn[nH]n4)s3)nc21 ZINC000822378982 946077645 /nfs/dbraw/zinc/07/76/45/946077645.db2.gz ILNQZJACYRENMX-RMKNXTFCSA-N 0 0 334.368 2.572 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000822795828 946177797 /nfs/dbraw/zinc/17/77/97/946177797.db2.gz HVFRLWJJMBQCNS-QPEQYQDCSA-N 0 0 336.286 2.978 20 50 EFGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1nc(-c2ccccc2)no1 ZINC000826379391 948172076 /nfs/dbraw/zinc/17/20/76/948172076.db2.gz QNZURCFQBVEGRM-UVTDQMKNSA-N 0 0 341.334 2.981 20 50 EFGDRN CC[C@@H](C(=O)[O-])[N@H+](C)CCP(=O)(c1ccccc1)c1ccccc1 ZINC001589440845 954709403 /nfs/dbraw/zinc/70/94/03/954709403.db2.gz BPJMPQNFSDENGH-SFHVURJKSA-N 0 0 345.379 2.796 20 50 EFGDRN C[C@@H](CBr)C[N@@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001592210496 977254727 /nfs/dbraw/zinc/25/47/27/977254727.db2.gz DOYCSGYWABXRAU-VIFPVBQESA-N 0 0 330.197 2.913 20 50 EFGDRN C[C@@H](CBr)C[N@@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001592210959 977259017 /nfs/dbraw/zinc/25/90/17/977259017.db2.gz HZBRCKOYBPISIO-GWCFXTLKSA-N 0 0 328.206 2.538 20 50 EFGDRN CC[C@H](C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1)c1ccccc1 ZINC000736848049 978361451 /nfs/dbraw/zinc/36/14/51/978361451.db2.gz LROXBJSLMFSIMG-KRWDZBQOSA-N 0 0 345.443 2.613 20 50 EFGDRN CC(=NNC(=O)[C@H](C)C[NH+]1CCC(C)CC1)c1ccc(C(=O)[O-])cc1 ZINC000825798270 978941516 /nfs/dbraw/zinc/94/15/16/978941516.db2.gz GCOGAJUISOXZLT-CQSZACIVSA-N 0 0 345.443 2.593 20 50 EFGDRN C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+]1CCCCCC1 ZINC001589423685 986681937 /nfs/dbraw/zinc/68/19/37/986681937.db2.gz PGJIOKIOUKRRIU-LLVKDONJSA-N 0 0 339.823 2.746 20 50 EFGDRN CCOc1ccc(C[C@H](C[NH2+]C[C@@H]2[C@@H](C)[C@@H]2Cl)C(=O)[O-])cc1 ZINC001597095367 986690304 /nfs/dbraw/zinc/69/03/04/986690304.db2.gz NKQVVQRCEZUJDM-CUBALJKWSA-N 0 0 325.836 2.792 20 50 EFGDRN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2[N@@H+]1C[C@H](CBr)C1CC1 ZINC001594338314 999299285 /nfs/dbraw/zinc/29/92/85/999299285.db2.gz AXPCXANENSKOGG-QJPDTAOJSA-N 0 0 346.265 2.503 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000826446661 607354613 /nfs/dbraw/zinc/35/46/13/607354613.db2.gz UBZHYNXPUGLVHM-GJZGRUSLSA-N 0 0 326.404 2.526 20 50 EFGDRN C[C@H](CCC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824400653 607560526 /nfs/dbraw/zinc/56/05/26/607560526.db2.gz JSADAPRQMISVJJ-CYBMUJFWSA-N 0 0 336.399 2.894 20 50 EFGDRN CCc1ccc([C@H](C)C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825703946 607717151 /nfs/dbraw/zinc/71/71/51/607717151.db2.gz AJZJGYBGKUYTFS-LBPRGKRZSA-N 0 0 336.399 2.676 20 50 EFGDRN C[C@H]1CCC[C@](CNC(=O)NNc2cccc(C(=O)[O-])c2)([NH+](C)C)C1 ZINC000833608254 605741392 /nfs/dbraw/zinc/74/13/92/605741392.db2.gz NALUPVLQOYUCTK-UGSOOPFHSA-N 0 0 348.447 2.521 20 50 EFGDRN C[C@@H](CC=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824400391 607888436 /nfs/dbraw/zinc/88/84/36/607888436.db2.gz GWPISWRMNRRVAQ-ZDUSSCGKSA-N 0 0 334.383 2.776 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(-c2ccoc2)c1 ZINC000826446856 608031722 /nfs/dbraw/zinc/03/17/22/608031722.db2.gz BITUJVWBTCPIHY-UHFFFAOYSA-N 0 0 346.350 2.884 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cccc2c1CCCC2 ZINC000826448492 608803537 /nfs/dbraw/zinc/80/35/37/608803537.db2.gz XXBOVUGMWWCCIZ-UHFFFAOYSA-N 0 0 349.398 2.894 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)c2cccc(Cl)c2)cc1C=O ZINC000792803880 1279174366 /nfs/dbraw/zinc/17/43/66/1279174366.db2.gz HTPYLKGXGGHBNY-UHFFFAOYSA-N 0 0 330.771 2.844 20 50 EFGDRN Cc1cc(C)c(C(=O)NN=c2nc[nH]c3ccsc32)cc1C=O ZINC000793679964 1279805398 /nfs/dbraw/zinc/80/53/98/1279805398.db2.gz CUMWLJBAUCDDJV-UHFFFAOYSA-N 0 0 326.381 2.878 20 50 EFGDRN Cc1cc(C)c(C(=O)NNc2ccc(C(F)(F)F)nn2)cc1C=O ZINC000793723543 1279823169 /nfs/dbraw/zinc/82/31/69/1279823169.db2.gz AKATUTOSBYDQBS-UHFFFAOYSA-N 0 0 338.289 2.682 20 50 EFGDRN Cc1cc(C)c(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1C=O ZINC000793987024 1279982305 /nfs/dbraw/zinc/98/23/05/1279982305.db2.gz FFOVBAGVJQKSNB-UHFFFAOYSA-N 0 0 331.303 2.920 20 50 EFGDRN C[C@@H](CCC(C)(C)C)NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000735985404 944730466 /nfs/dbraw/zinc/73/04/66/944730466.db2.gz KSBHBJPXKNWXJY-NSHDSACASA-N 0 0 331.424 2.708 20 50 EFGDRN CC(CCc1ccccc1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735992339 944733013 /nfs/dbraw/zinc/73/30/13/944733013.db2.gz CKRHOFHFZOAMIL-UHFFFAOYSA-N 0 0 334.383 2.605 20 50 EFGDRN CCC[C@H](C)C(CC)=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000821015933 945613459 /nfs/dbraw/zinc/61/34/59/945613459.db2.gz TXEXINCDSZIGKV-LBPRGKRZSA-N 0 0 344.419 2.564 20 50 EFGDRN Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000822361892 946069803 /nfs/dbraw/zinc/06/98/03/946069803.db2.gz KDFVJVAVBKLPRJ-RIYZIHGNSA-N 0 0 348.341 2.860 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1ccccc1F ZINC000822795535 946173862 /nfs/dbraw/zinc/17/38/62/946173862.db2.gz CCTODAJNMPHFFB-KPKJPENVSA-N 0 0 337.289 2.935 20 50 EFGDRN CC[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589735107 950529888 /nfs/dbraw/zinc/52/98/88/950529888.db2.gz XJEDODJZHXCLBK-INIZCTEOSA-N 0 0 345.379 2.796 20 50 EFGDRN C[C@H](CBr)C[N@@H+]1CCOc2ccccc2[C@H]1C(=O)[O-] ZINC001592210968 977258852 /nfs/dbraw/zinc/25/88/52/977258852.db2.gz HZBRCKOYBPISIO-MFKMUULPSA-N 0 0 328.206 2.538 20 50 EFGDRN CC[C@@H](C(=O)NN=C1CC[NH+](CCCC(=O)[O-])CC1)c1ccccc1 ZINC000736848050 978360777 /nfs/dbraw/zinc/36/07/77/978360777.db2.gz LROXBJSLMFSIMG-QGZVFWFLSA-N 0 0 345.443 2.613 20 50 EFGDRN C[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737448324 978409601 /nfs/dbraw/zinc/40/96/01/978409601.db2.gz ISUQURIXNDRTBQ-UHFFFAOYSA-N 0 0 345.379 2.796 20 50 EFGDRN O=C([O-])CC1([NH2+]Cc2ccc(OCCCCl)cc2)CCOCC1 ZINC000901668130 980434979 /nfs/dbraw/zinc/43/49/79/980434979.db2.gz YFCZIECXVOGROT-UHFFFAOYSA-N 0 0 341.835 2.808 20 50 EFGDRN CO[C@@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1 ZINC000902031890 980702762 /nfs/dbraw/zinc/70/27/62/980702762.db2.gz NCQGUTCRWCUTGI-HZPDHXFCSA-N 0 0 341.835 2.758 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NNc2ccccc2C(=O)[O-])cc1 ZINC001596275469 983693564 /nfs/dbraw/zinc/69/35/64/983693564.db2.gz DVZLSVFNUAAUMJ-UHFFFAOYSA-N 0 0 341.411 2.984 20 50 EFGDRN C[NH+](C)[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001598164797 990677496 /nfs/dbraw/zinc/67/74/96/990677496.db2.gz GTQUAYOTUOVAHR-OAHLLOKOSA-N 0 0 345.374 2.660 20 50 EFGDRN C[N@@H+]1CC[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001598624979 994073370 /nfs/dbraw/zinc/07/33/70/994073370.db2.gz ABWBSBNOMARSDX-IRXDYDNUSA-N 0 0 339.395 2.521 20 50 EFGDRN CCc1ccc([C@@H](C)C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825703945 607717268 /nfs/dbraw/zinc/71/72/68/607717268.db2.gz AJZJGYBGKUYTFS-GFCCVEGCSA-N 0 0 336.399 2.676 20 50 EFGDRN C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000833602421 605260162 /nfs/dbraw/zinc/26/01/62/605260162.db2.gz JJXIRRGHQIZHHZ-GMTAPVOTSA-N 0 0 339.823 2.743 20 50 EFGDRN COc1cccc(C(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826213858 607915692 /nfs/dbraw/zinc/91/56/92/607915692.db2.gz PGHCBIIUZIWGJV-NTUHNPAUSA-N 0 0 349.325 2.804 20 50 EFGDRN Cc1cccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000826299055 607915901 /nfs/dbraw/zinc/91/59/01/607915901.db2.gz PHEQPKPOOAJHEH-JYRVWZFOSA-N 0 0 348.341 2.860 20 50 EFGDRN O=C(NNc1ccccc1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826449275 608078386 /nfs/dbraw/zinc/07/83/86/608078386.db2.gz JSDASLWNCSNDNW-UHFFFAOYSA-N 0 0 329.751 2.669 20 50 EFGDRN CC(C)(C)c1n[nH]cc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824135083 608216001 /nfs/dbraw/zinc/21/60/01/608216001.db2.gz APRVTVGMYWEPFH-MDWZMJQESA-N 0 0 347.382 2.677 20 50 EFGDRN N#CC(=Cc1ccccc1C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379654 608217723 /nfs/dbraw/zinc/21/77/23/608217723.db2.gz YFUJUPZMMPUJCG-LZYBPNLTSA-N 0 0 326.319 2.528 20 50 EFGDRN N#CC(=Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379014 608219194 /nfs/dbraw/zinc/21/91/94/608219194.db2.gz HCNWWPZKUTULQT-PXNMLYILSA-N 0 0 326.319 2.528 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000826446711 608244552 /nfs/dbraw/zinc/24/45/52/608244552.db2.gz VPYOBRCYGVDHAA-INIZCTEOSA-N 0 0 334.383 2.504 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cc(F)cc(Cl)c1 ZINC000826448166 608817612 /nfs/dbraw/zinc/81/76/12/608817612.db2.gz KSGIYCCELQTFLM-UHFFFAOYSA-N 0 0 347.741 2.808 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(Cl)c1)Nc1ccccc1 ZINC000826446305 609497557 /nfs/dbraw/zinc/49/75/57/609497557.db2.gz GWTQXDRRDUJYDN-UHFFFAOYSA-N 0 0 329.751 2.669 20 50 EFGDRN Cc1cc(C)c(C(=O)NNc2oc(C(C)C)nc2C#N)cc1C=O ZINC000793276390 1279492718 /nfs/dbraw/zinc/49/27/18/1279492718.db2.gz XTHNDTKITQJWBD-UHFFFAOYSA-N 0 0 326.356 2.856 20 50 EFGDRN C=CCn1c(C)cc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)o2)c1C ZINC000819759508 945283621 /nfs/dbraw/zinc/28/36/21/945283621.db2.gz YCHMQFCWIIVZIX-UKTHLTGXSA-N 0 0 348.366 2.854 20 50 EFGDRN COc1cccc(C(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000821854714 945885135 /nfs/dbraw/zinc/88/51/35/945885135.db2.gz SJMVZVMQOKKACV-VGOFMYFVSA-N 0 0 349.325 2.804 20 50 EFGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)OC1CCCCC1 ZINC000822796705 946187930 /nfs/dbraw/zinc/18/79/30/946187930.db2.gz WMCGPFUBVUETMY-UXBLZVDNSA-N 0 0 329.385 2.711 20 50 EFGDRN CC(C)[C@@H]([NH2+]CCP(=O)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000820044044 955464196 /nfs/dbraw/zinc/46/41/96/955464196.db2.gz RYVDKUDGAHYKRZ-GOSISDBHSA-N 0 0 345.379 2.699 20 50 EFGDRN C[C@]([NH2+]C[C@H](CBr)C1CC1)(C(=O)[O-])c1ccccc1 ZINC001589123765 956150224 /nfs/dbraw/zinc/15/02/24/956150224.db2.gz WFKWRLXMVUWBNL-SWLSCSKDSA-N 0 0 326.234 2.997 20 50 EFGDRN COC[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC001593966549 956553380 /nfs/dbraw/zinc/55/33/80/956553380.db2.gz FUOJYFXEKIDSSW-KRWDZBQOSA-N 0 0 341.835 2.617 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NN=C2CC[C@@H](CC(=O)[O-])[C@@H]2C)o1 ZINC001324253744 961029729 /nfs/dbraw/zinc/02/97/29/961029729.db2.gz KXZLFEUGWGVQKR-STQMWFEESA-N 0 0 349.431 2.728 20 50 EFGDRN C[C@H](CBr)C[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001592213377 977272289 /nfs/dbraw/zinc/27/22/89/977272289.db2.gz XHBAUNUPOZQSDN-RKDXNWHRSA-N 0 0 333.251 2.662 20 50 EFGDRN CO[C@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1 ZINC000902031886 980702959 /nfs/dbraw/zinc/70/29/59/980702959.db2.gz NCQGUTCRWCUTGI-HOTGVXAUSA-N 0 0 341.835 2.758 20 50 EFGDRN CC[NH+](CC)[C@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1 ZINC001596253962 983659889 /nfs/dbraw/zinc/65/98/89/983659889.db2.gz UIDSZRXJFHLFKY-KRWDZBQOSA-N 0 0 341.411 2.911 20 50 EFGDRN C=C(CBr)C[N@@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588605552 983693485 /nfs/dbraw/zinc/69/34/85/983693485.db2.gz LGZKRYPZBRIERW-UHFFFAOYSA-N 0 0 340.217 2.703 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)o1 ZINC001596275604 983694389 /nfs/dbraw/zinc/69/43/89/983694389.db2.gz MSYDJBGUFNHZKY-UHFFFAOYSA-N 0 0 331.372 2.577 20 50 EFGDRN CC(C)([NH2+]C[C@H](CBr)C1CC1)c1nocc1C(=O)[O-] ZINC001590866456 990758071 /nfs/dbraw/zinc/75/80/71/990758071.db2.gz AQUVOIBRFFKVOY-VIFPVBQESA-N 0 0 331.210 2.619 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000826446660 607354772 /nfs/dbraw/zinc/35/47/72/607354772.db2.gz UBZHYNXPUGLVHM-CABCVRRESA-N 0 0 326.404 2.526 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc(C(F)(F)F)c1 ZINC000826448933 607718227 /nfs/dbraw/zinc/71/82/27/607718227.db2.gz SYVLABOFGXLGJY-UHFFFAOYSA-N 0 0 348.288 2.642 20 50 EFGDRN O=C(C=Cc1ccc(Cl)cc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826400472 607723261 /nfs/dbraw/zinc/72/32/61/607723261.db2.gz ZUZVWWUCMIHGOU-TWGQIWQCSA-N 0 0 340.774 2.677 20 50 EFGDRN CC1(C)CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824801763 607756158 /nfs/dbraw/zinc/75/61/58/607756158.db2.gz IPVWCFZDRZTZEU-CYBMUJFWSA-N 0 0 328.420 2.916 20 50 EFGDRN CC1(C)CCC(=CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824795774 607756344 /nfs/dbraw/zinc/75/63/44/607756344.db2.gz DFFLPUXTARNVKR-UHFFFAOYSA-N 0 0 326.404 2.836 20 50 EFGDRN C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833614951 605742367 /nfs/dbraw/zinc/74/23/67/605742367.db2.gz YAERQXCAHVVQHF-CYBMUJFWSA-N 0 0 348.447 2.521 20 50 EFGDRN C[C@@H](C(=O)[O-])[C@@H]([NH2+]CCCI)c1ccccc1 ZINC000833406413 605839794 /nfs/dbraw/zinc/83/97/94/605839794.db2.gz FCPUMKLKIVRXCX-ZYHUDNBSSA-N 0 0 347.196 2.863 20 50 EFGDRN C[C@@H](CC=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000824402078 607887288 /nfs/dbraw/zinc/88/72/88/607887288.db2.gz UAMNNFFRILRLSW-ZDUSSCGKSA-N 0 0 334.383 2.776 20 50 EFGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)c1cccc(C#N)c1 ZINC000826379059 608217125 /nfs/dbraw/zinc/21/71/25/608217125.db2.gz ICMXBXCIZODGGX-DHDCSXOGSA-N 0 0 326.319 2.528 20 50 EFGDRN N#CC(=Cc1nc(Cl)cs1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379539 608217576 /nfs/dbraw/zinc/21/75/76/608217576.db2.gz UZYSKXYWAYNHIR-BJMVGYQFSA-N 0 0 342.771 2.766 20 50 EFGDRN N#CC(=Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc(C#N)c1 ZINC000826379143 608219711 /nfs/dbraw/zinc/21/97/11/608219711.db2.gz KAYCIAAYZBKGNC-LZYBPNLTSA-N 0 0 326.319 2.528 20 50 EFGDRN CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825182975 608750460 /nfs/dbraw/zinc/75/04/60/608750460.db2.gz MUAMLXLBAABZGM-VXGBXAGGSA-N 0 0 326.404 2.799 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1C=O ZINC000793437919 1279649879 /nfs/dbraw/zinc/64/98/79/1279649879.db2.gz BDKHDDJZQWUTJG-UHFFFAOYSA-N 0 0 349.390 2.532 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)c2cccc3ncccc32)cc1C=O ZINC000793456819 1279704576 /nfs/dbraw/zinc/70/45/76/1279704576.db2.gz ZAYWKPUFGZSLKB-UHFFFAOYSA-N 0 0 347.374 2.739 20 50 EFGDRN COc1ccc(NNC(=O)c2cc(C=O)c(C)cc2C)c([N+](=O)[O-])c1 ZINC000793685901 1279812316 /nfs/dbraw/zinc/81/23/16/1279812316.db2.gz DZSYYRYEOKKGGO-UHFFFAOYSA-N 0 0 343.339 2.790 20 50 EFGDRN COC(=O)c1cccc(NNC(=O)c2cc(C=O)c(C)cc2C)c1 ZINC000793790571 1279870225 /nfs/dbraw/zinc/87/02/25/1279870225.db2.gz ORBMPBCUQYZIEP-UHFFFAOYSA-N 0 0 326.352 2.659 20 50 EFGDRN BrC[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139094995 1442245404 /nfs/dbraw/zinc/24/54/04/1442245404.db2.gz OFZXMRJZURYYOM-ZDUSSCGKSA-N 0 0 336.237 2.616 20 50 EFGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H](C)c1ccccc1 ZINC000819772795 945284148 /nfs/dbraw/zinc/28/41/48/945284148.db2.gz LTQHQNSYVMPPET-GFCCVEGCSA-N 0 0 334.383 2.776 20 50 EFGDRN CC[C@@H](C(=O)NN=Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000736312063 944796558 /nfs/dbraw/zinc/79/65/58/944796558.db2.gz FBNRFBARYAHDJG-MRXNPFEDSA-N 0 0 334.383 2.511 20 50 EFGDRN CCC(Cc1ccc(C)cc1)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736355324 944809459 /nfs/dbraw/zinc/80/94/59/944809459.db2.gz YYCQIUMCNPJHGD-UHFFFAOYSA-N 0 0 348.410 2.914 20 50 EFGDRN C[C@@H]1CCCC[C@@H]1NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1 ZINC000820703741 945531696 /nfs/dbraw/zinc/53/16/96/945531696.db2.gz JXYITTZTPJPBRX-WFHJWZICSA-N 0 0 342.428 2.530 20 50 EFGDRN CC[C@@H](C(=O)NN=Cc1ccc(-c2nn[nH]n2)s1)c1ccccc1 ZINC000820842008 945568113 /nfs/dbraw/zinc/56/81/13/945568113.db2.gz ICALMHUGDFCIBT-CYBMUJFWSA-N 0 0 340.412 2.572 20 50 EFGDRN CCC(CC)(CC)CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000820882624 945581858 /nfs/dbraw/zinc/58/18/58/945581858.db2.gz VVJODSHVNBKINT-UHFFFAOYSA-N 0 0 331.424 2.709 20 50 EFGDRN CCC1(C)CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820949462 945593106 /nfs/dbraw/zinc/59/31/06/945593106.db2.gz ANAYSBMBKAUISC-UHFFFAOYSA-N 0 0 326.404 2.943 20 50 EFGDRN CCc1ccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000821487070 945707997 /nfs/dbraw/zinc/70/79/97/945707997.db2.gz PIVXBYUEPNPXCO-FMIVXFBMSA-N 0 0 334.339 2.568 20 50 EFGDRN Cc1cccc(NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000822323668 946052842 /nfs/dbraw/zinc/05/28/42/946052842.db2.gz LZZQSCOGKZYWRR-IZZDOVSWSA-N 0 0 336.380 2.782 20 50 EFGDRN O=C(NCCCCC1CCCC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000823187133 946340030 /nfs/dbraw/zinc/34/00/30/946340030.db2.gz CJBJRMNEWSWGPD-UHFFFAOYSA-N 0 0 343.435 2.853 20 50 EFGDRN C[C@@H](CBr)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588988227 962776160 /nfs/dbraw/zinc/77/61/60/962776160.db2.gz XDWKYRBYHVMBER-FPMFFAJLSA-N 0 0 326.234 2.818 20 50 EFGDRN CC[C@H](c1ccccc1)[N@H+](CCI)CC(=O)[O-] ZINC001595363488 980783316 /nfs/dbraw/zinc/78/33/16/980783316.db2.gz GKAIWSMAUSWIBC-GFCCVEGCSA-N 0 0 347.196 2.959 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NNc2cccc(C(=O)[O-])c2C)o1 ZINC001596275546 983694382 /nfs/dbraw/zinc/69/43/82/983694382.db2.gz JWQXBAPJFMJQAF-UHFFFAOYSA-N 0 0 345.399 2.885 20 50 EFGDRN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@H]2[N@@H+]1C[C@H](CBr)C1CC1 ZINC001594338313 999298849 /nfs/dbraw/zinc/29/88/49/999298849.db2.gz AXPCXANENSKOGG-NGBXAZJTSA-N 0 0 346.265 2.503 20 50 EFGDRN CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1C(C)(C)C1(C)C ZINC000823948536 607532179 /nfs/dbraw/zinc/53/21/79/607532179.db2.gz QXXTVCYGPIMXBG-UHFFFAOYSA-N 0 0 326.404 2.655 20 50 EFGDRN O=C(C=CSc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826399968 607723077 /nfs/dbraw/zinc/72/30/77/607723077.db2.gz LMTXQXODMKWICP-MDZDMXLPSA-N 0 0 338.396 2.616 20 50 EFGDRN CCC[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000829491834 604966984 /nfs/dbraw/zinc/96/69/84/604966984.db2.gz GXXSZEIXTBWLIY-UHFFFAOYSA-N 0 0 345.379 2.797 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1csc2ccccc12 ZINC000826449130 607732331 /nfs/dbraw/zinc/73/23/31/607732331.db2.gz CQPPTNSDCHATNP-UHFFFAOYSA-N 0 0 336.380 2.838 20 50 EFGDRN C[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000833602423 605260014 /nfs/dbraw/zinc/26/00/14/605260014.db2.gz JJXIRRGHQIZHHZ-OUAUKWLOSA-N 0 0 339.823 2.743 20 50 EFGDRN C[C@@H]1CCC[C@](CNC(=O)NNc2cccc(C(=O)[O-])c2)([NH+](C)C)C1 ZINC000833608251 605741617 /nfs/dbraw/zinc/74/16/17/605741617.db2.gz NALUPVLQOYUCTK-ACJLOTCBSA-N 0 0 348.447 2.521 20 50 EFGDRN C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833616208 605742105 /nfs/dbraw/zinc/74/21/05/605742105.db2.gz XKZDIIPQZSBDFO-CQSZACIVSA-N 0 0 348.447 2.666 20 50 EFGDRN N#CC(=Cc1c(F)cccc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379170 608213612 /nfs/dbraw/zinc/21/36/12/608213612.db2.gz KVUNAXBSVVWVSQ-WQLSENKSSA-N 0 0 337.289 2.935 20 50 EFGDRN N#CC(=Cc1cc(F)cc(F)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379626 608219238 /nfs/dbraw/zinc/21/92/38/608219238.db2.gz XGYMYRFJZYNYRN-PQMHYQBVSA-N 0 0 337.289 2.935 20 50 EFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1ccsc1 ZINC000826378853 608877095 /nfs/dbraw/zinc/87/70/95/608877095.db2.gz BWMJLTXKBLTQKX-VZUCSPMQSA-N 0 0 325.328 2.857 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1C=O ZINC000792807558 1279177126 /nfs/dbraw/zinc/17/71/26/1279177126.db2.gz AKLKCYADFHZQSL-UHFFFAOYSA-N 0 0 349.390 2.601 20 50 EFGDRN BrC[C@H]1CCCC[N@@H+]1Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853123 1447289985 /nfs/dbraw/zinc/28/99/85/1447289985.db2.gz GHHKBEHHEVHKCM-CYBMUJFWSA-N 0 0 336.237 2.616 20 50 EFGDRN CCCC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000736440541 944822959 /nfs/dbraw/zinc/82/29/59/944822959.db2.gz DANQNIMOLWJTMQ-SWLSCSKDSA-N 0 0 343.435 2.852 20 50 EFGDRN O=C(CC1CCCC1)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000822941034 946224709 /nfs/dbraw/zinc/22/47/09/946224709.db2.gz NRKHAEJLIABOJQ-UHFFFAOYSA-N 0 0 338.415 2.604 20 50 EFGDRN CC(=Cc1ccc(C)cc1)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000823942329 946522616 /nfs/dbraw/zinc/52/26/16/946522616.db2.gz BFKNCCBHABJVNI-QBFSEMIESA-N 0 0 334.383 2.722 20 50 EFGDRN O=C([O-])[C@H]1CCC[N@@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000739587280 955254488 /nfs/dbraw/zinc/25/44/88/955254488.db2.gz JEMQERFLVWJOAB-GOSISDBHSA-N 0 0 343.363 2.550 20 50 EFGDRN C[C@@]([NH2+]C[C@@H](CBr)C1CC1)(C(=O)[O-])c1ccccc1 ZINC001589123761 956149975 /nfs/dbraw/zinc/14/99/75/956149975.db2.gz WFKWRLXMVUWBNL-DOMZBBRYSA-N 0 0 326.234 2.997 20 50 EFGDRN C[C@@H](C[NH2+]CC1(O[Si](C)(C)C(C)(C)C)CCOCC1)C(=O)[O-] ZINC001603193540 972298561 /nfs/dbraw/zinc/29/85/61/972298561.db2.gz XUAGWNSWYUAMMO-ZDUSSCGKSA-N 0 0 331.529 2.868 20 50 EFGDRN C[C@@H]([NH2+]C[C@H](C)CBr)c1ccc(OCC(=O)[O-])cc1 ZINC001592211194 977260473 /nfs/dbraw/zinc/26/04/73/977260473.db2.gz JSQWMQHIOPPJBM-GHMZBOCLSA-N 0 0 330.222 2.832 20 50 EFGDRN C[C@H](CBr)C[NH+]1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001592213423 977272549 /nfs/dbraw/zinc/27/25/49/977272549.db2.gz XMSAOMFPYZXVSO-SECBINFHSA-N 0 0 331.210 2.583 20 50 EFGDRN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCCC1)c1ccc(C(=O)[O-])cc1 ZINC000825798188 978941446 /nfs/dbraw/zinc/94/14/46/978941446.db2.gz BRBKHGCKQPYHBQ-AWEZNQCLSA-N 0 0 345.443 2.737 20 50 EFGDRN O=C([O-])[C@@H]1CSCC[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC000901892962 980606160 /nfs/dbraw/zinc/60/61/60/980606160.db2.gz ZYYMBPWIEFEYMW-AWEZNQCLSA-N 0 0 343.876 2.944 20 50 EFGDRN CO[C@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@@H](C(=O)[O-])C1 ZINC000902031893 980703286 /nfs/dbraw/zinc/70/32/86/980703286.db2.gz NCQGUTCRWCUTGI-JKSUJKDBSA-N 0 0 341.835 2.758 20 50 EFGDRN CCOc1ccc(C[C@H](C[NH2+]C[C@H]2[C@H](Cl)[C@H]2C)C(=O)[O-])cc1 ZINC001597095368 986690030 /nfs/dbraw/zinc/69/00/30/986690030.db2.gz NKQVVQRCEZUJDM-KSZJFAHPSA-N 0 0 325.836 2.792 20 50 EFGDRN CC(C)(C)[Si](C)(C)OC1(C[NH+]2CC(C(=O)[O-])C2)CCOCC1 ZINC001590451305 990011735 /nfs/dbraw/zinc/01/17/35/990011735.db2.gz IKXSWEYTPXLQET-UHFFFAOYSA-N 0 0 329.513 2.574 20 50 EFGDRN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)[O-] ZINC001593396018 995135468 /nfs/dbraw/zinc/13/54/68/995135468.db2.gz FBDPYIOAHZHRDE-XJKSGUPXSA-N 0 0 331.529 2.698 20 50 EFGDRN CC(C)(C)[Si](C)(C)OC[C@@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)[O-] ZINC001593396015 995136088 /nfs/dbraw/zinc/13/60/88/995136088.db2.gz FBDPYIOAHZHRDE-BBRMVZONSA-N 0 0 331.529 2.698 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000826446954 607347341 /nfs/dbraw/zinc/34/73/41/607347341.db2.gz GVOBSWBOVIRLJL-UHFFFAOYSA-N 0 0 348.288 2.642 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cccc(Cl)c1Cl ZINC000826447225 607353305 /nfs/dbraw/zinc/35/33/05/607353305.db2.gz UZVJIFWADLPECE-UHFFFAOYSA-N 0 0 349.181 2.930 20 50 EFGDRN Cc1c2ccccc2oc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826234785 607349256 /nfs/dbraw/zinc/34/92/56/607349256.db2.gz NVRDJPBHGJCNLJ-UHFFFAOYSA-N 0 0 334.339 2.678 20 50 EFGDRN O=C(NNc1cccc2c1CCCC2)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826449348 607673979 /nfs/dbraw/zinc/67/39/79/607673979.db2.gz NYQNWLHJSGFYNT-UHFFFAOYSA-N 0 0 349.398 2.894 20 50 EFGDRN Cc1c2cc(C)ccc2[nH]c1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826293687 607719056 /nfs/dbraw/zinc/71/90/56/607719056.db2.gz YIWRIFJOYVTHFS-UHFFFAOYSA-N 0 0 347.382 2.722 20 50 EFGDRN O=C(CC=Cc1ccc(F)cc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826404952 607721464 /nfs/dbraw/zinc/72/14/64/607721464.db2.gz QZQPBVRSIQTTHP-HNQUOIGGSA-N 0 0 338.346 2.552 20 50 EFGDRN Cc1c2ccccc2oc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826234979 607726117 /nfs/dbraw/zinc/72/61/17/607726117.db2.gz XOARLXCWRUZADS-UHFFFAOYSA-N 0 0 334.339 2.678 20 50 EFGDRN CCn1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c2ccccc21 ZINC000825799521 607727698 /nfs/dbraw/zinc/72/76/98/607727698.db2.gz NJODGVLOMRCVAE-UHFFFAOYSA-N 0 0 347.382 2.598 20 50 EFGDRN CC(=CC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccc(F)cc1 ZINC000823942624 607728603 /nfs/dbraw/zinc/72/86/03/607728603.db2.gz HDDBNZQDKWYWCX-PKNBQFBNSA-N 0 0 338.346 2.552 20 50 EFGDRN CCC[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825225771 607731295 /nfs/dbraw/zinc/73/12/95/607731295.db2.gz XJIWLDODZOTDDN-INIZCTEOSA-N 0 0 336.399 2.894 20 50 EFGDRN Cc1ccc(Cl)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826289197 607807288 /nfs/dbraw/zinc/80/72/88/607807288.db2.gz OXVLKRRADOQVLD-UHFFFAOYSA-N 0 0 328.763 2.585 20 50 EFGDRN N#CC(=Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379641 608217791 /nfs/dbraw/zinc/21/77/91/608217791.db2.gz XSPOGHPHTKOTMA-VGOFMYFVSA-N 0 0 346.306 2.565 20 50 EFGDRN COc1cc(C(C#N)=Cc2ccc(-c3nn[nH]n3)cc2)ccc1[N+](=O)[O-] ZINC000826177695 608328900 /nfs/dbraw/zinc/32/89/00/608328900.db2.gz RGFMTVAFHNLGJU-ZSOIEALJSA-N 0 0 348.322 2.848 20 50 EFGDRN Cc1cc(C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)ccc1Cl ZINC000826266250 609517643 /nfs/dbraw/zinc/51/76/43/609517643.db2.gz INVZKHRZKKIKGH-UHFFFAOYSA-N 0 0 340.774 2.592 20 50 EFGDRN O=C(NN=Cc1cccc2ccccc12)c1cccc(-c2nn[nH]n2)c1 ZINC000738130804 945211601 /nfs/dbraw/zinc/21/16/01/945211601.db2.gz WMWPTKRISUTKLV-UHFFFAOYSA-N 0 0 342.362 2.784 20 50 EFGDRN CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000735448067 944657704 /nfs/dbraw/zinc/65/77/04/944657704.db2.gz OKKGWNDIXFSMCG-UHFFFAOYSA-N 0 0 348.410 2.685 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)c2ccccc2)cc1-c1nn[nH]n1 ZINC000737074552 944946160 /nfs/dbraw/zinc/94/61/60/944946160.db2.gz HFQGGROKTZQLOX-ZROIWOOFSA-N 0 0 331.335 2.665 20 50 EFGDRN C[C@@H]1C(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1c1ccccc1 ZINC000820641275 945503160 /nfs/dbraw/zinc/50/31/60/945503160.db2.gz BKDAQLNRPDVBQX-BLLLJJGKSA-N 0 0 346.394 2.776 20 50 EFGDRN COc1ccccc1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821882554 945895450 /nfs/dbraw/zinc/89/54/50/945895450.db2.gz DKPCSJGLCWUKTO-MDWZMJQESA-N 0 0 349.325 2.804 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)c1ccccc1F ZINC000822796299 946181691 /nfs/dbraw/zinc/18/16/91/946181691.db2.gz PKWRMMQVJANUKK-VQHVLOKHSA-N 0 0 325.328 2.857 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)C(=O)Nc1ccc(F)cc1 ZINC000822796453 946184705 /nfs/dbraw/zinc/18/47/05/946184705.db2.gz RMSXUZBFHDQLJE-CLFYSBASSA-N 0 0 340.343 2.613 20 50 EFGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccc(F)cc1 ZINC000822796667 946188389 /nfs/dbraw/zinc/18/83/89/946188389.db2.gz UYPASOFSMJOBDE-YHYXMXQVSA-N 0 0 325.328 2.857 20 50 EFGDRN O=C(NN=Cc1cc2ccccc2s1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823273832 946391001 /nfs/dbraw/zinc/39/10/01/946391001.db2.gz ZYGMUCDAAKUDFY-UHFFFAOYSA-N 0 0 348.391 2.845 20 50 EFGDRN O=C(C=Cc1ccc2[nH]ccc2c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826400879 948219491 /nfs/dbraw/zinc/21/94/91/948219491.db2.gz KGBJMZYGGLOWIL-FNORWQNLSA-N 0 0 345.366 2.505 20 50 EFGDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]C[C@H](CBr)C1CC1 ZINC001595159375 952188158 /nfs/dbraw/zinc/18/81/58/952188158.db2.gz TWDQNULIMQVPNB-UONOGXRCSA-N 0 0 326.234 2.693 20 50 EFGDRN C[C@@H](CBr)C[NH2+][C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001592211197 977260484 /nfs/dbraw/zinc/26/04/84/977260484.db2.gz JSQWMQHIOPPJBM-WDEREUQCSA-N 0 0 330.222 2.832 20 50 EFGDRN CO[C@@H]1CC[N@H+](Cc2ccc(OCCCCl)cc2)[C@H](C(=O)[O-])C1 ZINC000902031883 980703111 /nfs/dbraw/zinc/70/31/11/980703111.db2.gz NCQGUTCRWCUTGI-CVEARBPZSA-N 0 0 341.835 2.758 20 50 EFGDRN CC(C)(C)[Si](C)(C)OCC[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC001590451510 990014523 /nfs/dbraw/zinc/01/45/23/990014523.db2.gz MODBYPPFXPVABP-UHFFFAOYSA-N 0 0 331.529 2.964 20 50 EFGDRN CC(C)(C)c1ccc(C(=O)NN=C2CC[NH+](CCC(=O)[O-])CC2)cc1 ZINC001590481608 990074021 /nfs/dbraw/zinc/07/40/21/990074021.db2.gz JZDJXKNBOCRYRM-UHFFFAOYSA-N 0 0 345.443 2.640 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)CCCC2 ZINC000826446830 607341251 /nfs/dbraw/zinc/34/12/51/607341251.db2.gz AMZOKQZXUPQIHQ-UHFFFAOYSA-N 0 0 334.383 2.502 20 50 EFGDRN Cc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000826281853 607344218 /nfs/dbraw/zinc/34/42/18/607344218.db2.gz MMWNALHRSWCVFU-UHFFFAOYSA-N 0 0 328.763 2.585 20 50 EFGDRN Cc1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(C)n1C(C)C ZINC000826260116 607352457 /nfs/dbraw/zinc/35/24/57/607352457.db2.gz WXFXKNPMKNPQNL-UHFFFAOYSA-N 0 0 339.403 2.623 20 50 EFGDRN CC(C)=C(C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000824178386 607395485 /nfs/dbraw/zinc/39/54/85/607395485.db2.gz RLAOOHDCJLQVJP-UHFFFAOYSA-N 0 0 340.309 2.685 20 50 EFGDRN CCCC=CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000825259214 607395887 /nfs/dbraw/zinc/39/58/87/607395887.db2.gz GXZDUERJVWOUMW-SNAWJCMRSA-N 0 0 340.309 2.685 20 50 EFGDRN C[C@@H](CCC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000824400627 607560763 /nfs/dbraw/zinc/56/07/63/607560763.db2.gz JLBMPGRQGNGVCE-ZDUSSCGKSA-N 0 0 336.399 2.894 20 50 EFGDRN Cc1nc(C(C)C)sc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826323816 607730085 /nfs/dbraw/zinc/73/00/85/607730085.db2.gz SVWNMTOSIFVWHO-UHFFFAOYSA-N 0 0 343.416 2.512 20 50 EFGDRN C[C@H]1CCC[C@@](CNC(=O)NNc2cccc(C(=O)[O-])c2)([NH+](C)C)C1 ZINC000833608253 605741548 /nfs/dbraw/zinc/74/15/48/605741548.db2.gz NALUPVLQOYUCTK-SCLBCKFNSA-N 0 0 348.447 2.521 20 50 EFGDRN O=C(NNc1c(Cl)cccc1Cl)c1ccc(-c2nn[nH]n2)cc1 ZINC000823280941 606932094 /nfs/dbraw/zinc/93/20/94/606932094.db2.gz IYFHBTFCTVAEQI-UHFFFAOYSA-N 0 0 349.181 2.930 20 50 EFGDRN Cc1ccc(Cl)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826288996 607807318 /nfs/dbraw/zinc/80/73/18/607807318.db2.gz GHUMTIIHXBICOW-UHFFFAOYSA-N 0 0 328.763 2.585 20 50 EFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)c1nc2ccccc2[nH]1 ZINC000826379584 607915937 /nfs/dbraw/zinc/91/59/37/607915937.db2.gz WGAJZGNXSCIGTL-XFFZJAGNSA-N 0 0 331.314 2.946 20 50 EFGDRN COc1cc(C(C#N)=Cc2cccc(-c3nn[nH]n3)c2)ccc1[N+](=O)[O-] ZINC000826177470 608328817 /nfs/dbraw/zinc/32/88/17/608328817.db2.gz JSVNMEWMXSKFIZ-RIYZIHGNSA-N 0 0 348.322 2.848 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cc(Cl)ccc1F ZINC000826448226 608805532 /nfs/dbraw/zinc/80/55/32/608805532.db2.gz MXKAZVVTPMTANG-UHFFFAOYSA-N 0 0 347.741 2.808 20 50 EFGDRN N#CC(=Cc1ccc(F)c(-c2nn[nH]n2)c1)C(=O)c1ccc(F)cc1 ZINC000826379619 608877316 /nfs/dbraw/zinc/87/73/16/608877316.db2.gz XDHFYERPCKRISN-GHXNOFRVSA-N 0 0 337.289 2.935 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1C=O ZINC000793463670 1279677061 /nfs/dbraw/zinc/67/70/61/1279677061.db2.gz KBDSJYNHEXAMNA-UHFFFAOYSA-N 0 0 338.407 2.855 20 50 EFGDRN C[C@H]1CCCC[C@H]1CCNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000736262152 944779083 /nfs/dbraw/zinc/77/90/83/944779083.db2.gz MOUNVZOVWUFXBX-STQMWFEESA-N 0 0 343.435 2.709 20 50 EFGDRN CN(C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC000736731833 944881181 /nfs/dbraw/zinc/88/11/81/944881181.db2.gz JUUOPPIDEGKHPK-PTNGSMBKSA-N 0 0 336.399 2.565 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)c2ccoc2C)cc1-c1nn[nH]n1 ZINC000737075025 944947102 /nfs/dbraw/zinc/94/71/02/944947102.db2.gz ILLXJJGTXKRYHW-KPKJPENVSA-N 0 0 335.323 2.567 20 50 EFGDRN C[C@@H](C=NNC(=O)c1cccc(-c2nn[nH]n2)c1)CCc1ccccc1 ZINC000820220189 945387709 /nfs/dbraw/zinc/38/77/09/945387709.db2.gz OKPZRBDIKVWWCV-CQSZACIVSA-N 0 0 348.410 2.851 20 50 EFGDRN C[C@H](CBr)C[NH2+][C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001592211195 977260618 /nfs/dbraw/zinc/26/06/18/977260618.db2.gz JSQWMQHIOPPJBM-MNOVXSKESA-N 0 0 330.222 2.832 20 50 EFGDRN C[C@@H](C[N@H+](C)CCP(=O)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000736576893 978343622 /nfs/dbraw/zinc/34/36/22/978343622.db2.gz OZZZBMKYJDVACW-INIZCTEOSA-N 0 0 345.379 2.653 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)o1 ZINC001596275595 983694455 /nfs/dbraw/zinc/69/44/55/983694455.db2.gz MICSMUSYVUYVJF-UHFFFAOYSA-N 0 0 349.362 2.716 20 50 EFGDRN C=C(CBr)C[N@@H+](CC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC001588606324 983697211 /nfs/dbraw/zinc/69/72/11/983697211.db2.gz WSUIZFBJDWQTII-UHFFFAOYSA-N 0 0 334.160 2.803 20 50 EFGDRN C[N@H+](CCC(=O)NNc1cccc(F)c1C(=O)[O-])C1CCCCC1 ZINC001598469996 992011591 /nfs/dbraw/zinc/01/15/91/992011591.db2.gz XCXPCAFGSLZDTJ-UHFFFAOYSA-N 0 0 337.395 2.622 20 50 EFGDRN C[C@H]1[C@H](C[NH+]2CCC(Cc3ncc(C(=O)[O-])s3)CC2)[C@H]1Cl ZINC001594187339 998724870 /nfs/dbraw/zinc/72/48/70/998724870.db2.gz GBBARYSTVUDENV-CHIMOYNISA-N 0 0 328.865 2.969 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1csc2ccccc12 ZINC000826447781 607353478 /nfs/dbraw/zinc/35/34/78/607353478.db2.gz VTDFBNHYWVLWTA-UHFFFAOYSA-N 0 0 336.380 2.838 20 50 EFGDRN O=C(NNc1ccc(Cl)cc1Cl)c1cccc(-c2nn[nH]n2)c1 ZINC000826447398 607712104 /nfs/dbraw/zinc/71/21/04/607712104.db2.gz DDULRZYHOVPDQV-UHFFFAOYSA-N 0 0 349.181 2.930 20 50 EFGDRN Cc1ccc(/C=C\CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826285530 607718640 /nfs/dbraw/zinc/71/86/40/607718640.db2.gz BVYKILUUZIABBR-RQOWECAXSA-N 0 0 334.383 2.722 20 50 EFGDRN Cc1cc(C)c(C=CC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000826263286 607731374 /nfs/dbraw/zinc/73/13/74/607731374.db2.gz UCFYRGLYYKIKJD-BQYQJAHWSA-N 0 0 348.410 2.948 20 50 EFGDRN C[NH+](C)Cc1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1 ZINC000833689673 605631430 /nfs/dbraw/zinc/63/14/30/605631430.db2.gz OFKWQPVKEKSAGK-UHFFFAOYSA-N 0 0 328.372 2.595 20 50 EFGDRN C[C@H]1CCC[N@H+](CCCCNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833613083 605742126 /nfs/dbraw/zinc/74/21/26/605742126.db2.gz CHOBETDEDRDCDZ-AWEZNQCLSA-N 0 0 348.447 2.523 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)C1CCCC1 ZINC000823281172 606130402 /nfs/dbraw/zinc/13/04/02/606130402.db2.gz NCKOWJXZCCUKSP-UHFFFAOYSA-N 0 0 340.309 2.519 20 50 EFGDRN C[C@H](NC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000824471161 607883428 /nfs/dbraw/zinc/88/34/28/607883428.db2.gz OSPODMXGNKBLFM-RERGGYADSA-N 0 0 344.378 2.651 20 50 EFGDRN N#CC(=Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379288 608215794 /nfs/dbraw/zinc/21/57/94/608215794.db2.gz NXDCOTCHCFQVPS-ZSOIEALJSA-N 0 0 346.306 2.565 20 50 EFGDRN COc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826219366 608216723 /nfs/dbraw/zinc/21/67/23/608216723.db2.gz ZPYHCFZXDQFQFX-DHDCSXOGSA-N 0 0 331.335 2.665 20 50 EFGDRN Cc1cc(C)c(C(=O)NNC(=O)CCCc2ccccc2)cc1C=O ZINC000793384463 1279612878 /nfs/dbraw/zinc/61/28/78/1279612878.db2.gz OTUUGGJVXKHXOD-UHFFFAOYSA-N 0 0 338.407 2.900 20 50 EFGDRN CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H](C)c1ccccc1 ZINC000819772566 945285558 /nfs/dbraw/zinc/28/55/58/945285558.db2.gz GOPJITPNYSMOTJ-LBPRGKRZSA-N 0 0 334.383 2.776 20 50 EFGDRN CC(=NNC(=O)CCCc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000735447095 944655241 /nfs/dbraw/zinc/65/52/41/944655241.db2.gz ISSJKGBTIAIPJI-UHFFFAOYSA-N 0 0 348.410 2.730 20 50 EFGDRN CCCC[C@H]1CCCC1=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736440971 944823733 /nfs/dbraw/zinc/82/37/33/944823733.db2.gz KKCBRLIRJKRTQA-LBPRGKRZSA-N 0 0 326.404 2.943 20 50 EFGDRN COc1ccc(C=C(C#N)C(=O)CC(C)(C)C)cc1-c1nn[nH]n1 ZINC000737076818 944949223 /nfs/dbraw/zinc/94/92/23/944949223.db2.gz QFTAMTGUDZVVFE-KPKJPENVSA-N 0 0 325.372 2.788 20 50 EFGDRN CCCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821056833 945625618 /nfs/dbraw/zinc/62/56/18/945625618.db2.gz YOSDQQSFDGRVCR-ZROIWOOFSA-N 0 0 342.378 2.609 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1c[nH]c2ccccc21 ZINC000822796244 946182609 /nfs/dbraw/zinc/18/26/09/946182609.db2.gz NKDBEVDLCGIXBA-JXMROGBWSA-N 0 0 330.307 2.731 20 50 EFGDRN CCc1cnc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)s1 ZINC000825735674 947303516 /nfs/dbraw/zinc/30/35/16/947303516.db2.gz SJSAFIHBRSCATI-KPKJPENVSA-N 0 0 336.380 2.675 20 50 EFGDRN C[C@H](C[NH2+]CC1(O[Si](C)(C)C(C)(C)C)CCOCC1)C(=O)[O-] ZINC001603193535 972298664 /nfs/dbraw/zinc/29/86/64/972298664.db2.gz XUAGWNSWYUAMMO-CYBMUJFWSA-N 0 0 331.529 2.868 20 50 EFGDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]C[C@H](CBr)C1CC1 ZINC001595192814 970324160 /nfs/dbraw/zinc/32/41/60/970324160.db2.gz TWDQNULIMQVPNB-KBPBESRZSA-N 0 0 326.234 2.693 20 50 EFGDRN C[C@H](CBr)C[N@@H+]1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC001592213199 977272406 /nfs/dbraw/zinc/27/24/06/977272406.db2.gz XDWKYRBYHVMBER-MRVWCRGKSA-N 0 0 326.234 2.818 20 50 EFGDRN CC(=NNC(=O)[C@H](C)C[NH+]1CCCCCC1)c1ccc(C(=O)[O-])cc1 ZINC000825798189 978941490 /nfs/dbraw/zinc/94/14/90/978941490.db2.gz BRBKHGCKQPYHBQ-CQSZACIVSA-N 0 0 345.443 2.737 20 50 EFGDRN O=C([O-])C[N@H+](Cc1ccc(OCCCCl)cc1)C1CCOCC1 ZINC000901984147 980664328 /nfs/dbraw/zinc/66/43/28/980664328.db2.gz ODKHZGGRLJMEKI-UHFFFAOYSA-N 0 0 341.835 2.760 20 50 EFGDRN C[NH+](C)[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)c1ccccc1 ZINC001598164796 990677260 /nfs/dbraw/zinc/67/72/60/990677260.db2.gz GTQUAYOTUOVAHR-HNNXBMFYSA-N 0 0 345.374 2.660 20 50 EFGDRN O=C(C=Cc1ccc(Cl)cc1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826399950 607347119 /nfs/dbraw/zinc/34/71/19/607347119.db2.gz KYESWKIGVRMDSL-KMKOMSMNSA-N 0 0 340.774 2.677 20 50 EFGDRN Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1Cl ZINC000826281578 607718726 /nfs/dbraw/zinc/71/87/26/607718726.db2.gz ADOUXEHRSSJAFS-UHFFFAOYSA-N 0 0 328.763 2.585 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C12CC3CC(CC(C3)C1)C2 ZINC000826447464 607732001 /nfs/dbraw/zinc/73/20/01/607732001.db2.gz GQHVQRRADARTKZ-UHFFFAOYSA-N 0 0 338.415 2.526 20 50 EFGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)Nc1ccc(F)cc1 ZINC000826379538 607883554 /nfs/dbraw/zinc/88/35/54/607883554.db2.gz UTVGLFXBGNTSLH-XFXZXTDPSA-N 0 0 334.314 2.551 20 50 EFGDRN COc1ccccc1C(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1 ZINC000826217884 607884117 /nfs/dbraw/zinc/88/41/17/607884117.db2.gz GTXLSRCDTGMBQD-RAXLEYEMSA-N 0 0 331.335 2.665 20 50 EFGDRN CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nn[nH]n2)s1 ZINC000823953551 608092198 /nfs/dbraw/zinc/09/21/98/608092198.db2.gz GIXOHJBHXQZFNG-UHFFFAOYSA-N 0 0 346.803 2.736 20 50 EFGDRN CCSc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825674708 608199886 /nfs/dbraw/zinc/19/98/86/608199886.db2.gz QWTSOBSCBUKVFA-UHFFFAOYSA-N 0 0 340.412 2.736 20 50 EFGDRN COCc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826164899 608212992 /nfs/dbraw/zinc/21/29/92/608212992.db2.gz WGKGJMUJLUOXJK-RQZCQDPDSA-N 0 0 345.362 2.803 20 50 EFGDRN N#CC(=Cc1ccc(Cl)nc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378827 608215285 /nfs/dbraw/zinc/21/52/85/608215285.db2.gz BHMKGUWQFSDOMW-AWNIVKPZSA-N 0 0 336.742 2.705 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000826446712 608244684 /nfs/dbraw/zinc/24/46/84/608244684.db2.gz VPYOBRCYGVDHAA-MRXNPFEDSA-N 0 0 334.383 2.504 20 50 EFGDRN O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000738128675 945196176 /nfs/dbraw/zinc/19/61/76/945196176.db2.gz GOPCNPLIZLBUJX-STQMWFEESA-N 0 0 338.415 2.943 20 50 EFGDRN CC(C)[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820017567 945331079 /nfs/dbraw/zinc/33/10/79/945331079.db2.gz ZZBLSUHUUFSKEC-QMMMGPOBSA-N 0 0 342.325 2.621 20 50 EFGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccc(C)c1C ZINC000735446779 944653240 /nfs/dbraw/zinc/65/32/40/944653240.db2.gz GBUJAFIIDXQXOD-UHFFFAOYSA-N 0 0 334.383 2.638 20 50 EFGDRN CC(C)[C@@H]1CCC[C@H](NC(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 ZINC000735748447 944695983 /nfs/dbraw/zinc/69/59/83/944695983.db2.gz IILUGQUBVRMRHK-OCCSQVGLSA-N 0 0 343.435 2.708 20 50 EFGDRN CC(CCc1cccc(C)c1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735985054 944730548 /nfs/dbraw/zinc/73/05/48/944730548.db2.gz DLRINBNAHFDUDT-UHFFFAOYSA-N 0 0 348.410 2.914 20 50 EFGDRN CCC(CC)C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000820893797 945583768 /nfs/dbraw/zinc/58/37/68/945583768.db2.gz VRULPLTYLREQAF-UHFFFAOYSA-N 0 0 342.325 2.765 20 50 EFGDRN COc1cccc(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000821854660 945885946 /nfs/dbraw/zinc/88/59/46/945885946.db2.gz QTHJCVFPTYUPHO-IZZDOVSWSA-N 0 0 337.364 2.727 20 50 EFGDRN Cc1cc(C)c(NNC(=O)c2sccc2-c2nn[nH]n2)c(C)c1 ZINC000822194336 945976777 /nfs/dbraw/zinc/97/67/77/945976777.db2.gz SLTAMLMIGHETFK-UHFFFAOYSA-N 0 0 328.401 2.610 20 50 EFGDRN Cc1ccnc2[nH]c(C(C#N)=Cc3ccc(-c4nn[nH]n4)s3)nc21 ZINC000822378983 946076540 /nfs/dbraw/zinc/07/65/40/946076540.db2.gz ILNQZJACYRENMX-TWGQIWQCSA-N 0 0 334.368 2.572 20 50 EFGDRN CC[C@H](C(=O)[O-])[N@H+](C)CCP(=O)(c1ccccc1)c1ccccc1 ZINC001589440844 954709587 /nfs/dbraw/zinc/70/95/87/954709587.db2.gz BPJMPQNFSDENGH-GOSISDBHSA-N 0 0 345.379 2.796 20 50 EFGDRN O=C([O-])[C@@H]1CCC[N@@H+]1CCP(=O)(c1ccccc1)c1ccccc1 ZINC000739587286 955254368 /nfs/dbraw/zinc/25/43/68/955254368.db2.gz JEMQERFLVWJOAB-SFHVURJKSA-N 0 0 343.363 2.550 20 50 EFGDRN C[C@H](CBr)C[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001588988228 962777147 /nfs/dbraw/zinc/77/71/47/962777147.db2.gz XDWKYRBYHVMBER-KWCYVHTRSA-N 0 0 326.234 2.818 20 50 EFGDRN CC[C@]([NH2+]CCCI)(C(=O)[O-])c1ccccc1 ZINC001595291640 980393624 /nfs/dbraw/zinc/39/36/24/980393624.db2.gz BPUKCIMIHCJRQA-CYBMUJFWSA-N 0 0 347.196 2.791 20 50 EFGDRN O=C([O-])[C@H]1CSCC[N@H+](Cc2ccc(OCCCCl)cc2)C1 ZINC000901892963 980606503 /nfs/dbraw/zinc/60/65/03/980606503.db2.gz ZYYMBPWIEFEYMW-CQSZACIVSA-N 0 0 343.876 2.944 20 50 EFGDRN CC[NH+](CC)Cc1ccc(C(=O)NNc2ccc(C)c(C(=O)[O-])c2)o1 ZINC001596275519 983694062 /nfs/dbraw/zinc/69/40/62/983694062.db2.gz HZSVMHVJUHHXNF-UHFFFAOYSA-N 0 0 345.399 2.885 20 50 EFGDRN C=C(CBr)C[NH2+][C@@H](Cc1cc2ccccc2o1)C(=O)[O-] ZINC001588606214 983696365 /nfs/dbraw/zinc/69/63/65/983696365.db2.gz SKGUFAYQRQKNOP-ZDUSSCGKSA-N 0 0 338.201 2.969 20 50 EFGDRN CC(C)(C)[Si](C)(C)OC1(C[N@@H+]2CC[C@H](C(=O)[O-])C2)CCOCC1 ZINC001590451311 990011985 /nfs/dbraw/zinc/01/19/85/990011985.db2.gz ISAPQFBKACICDK-AWEZNQCLSA-N 0 0 343.540 2.964 20 50 EFGDRN CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001591437109 992534143 /nfs/dbraw/zinc/53/41/43/992534143.db2.gz VYSQPEMALMPTRS-INIZCTEOSA-N 0 0 348.447 2.521 20 50 EFGDRN CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@@H+]1C[C@](C)(O)C(=O)[O-] ZINC001593396016 995135551 /nfs/dbraw/zinc/13/55/51/995135551.db2.gz FBDPYIOAHZHRDE-CJNGLKHVSA-N 0 0 331.529 2.698 20 50 EFGDRN C[C@@H]1CC[C@@H]2O[C@H](C(=O)[O-])C[C@@H]2[N@@H+]1C[C@@H](CBr)C1CC1 ZINC001594338311 999298873 /nfs/dbraw/zinc/29/88/73/999298873.db2.gz AXPCXANENSKOGG-CYDRSHDDSA-N 0 0 346.265 2.503 20 50 EFGDRN Cc1cc2cc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)oc2cc1C ZINC000826273095 607345743 /nfs/dbraw/zinc/34/57/43/607345743.db2.gz PFFULZFZCNANCQ-UHFFFAOYSA-N 0 0 348.366 2.987 20 50 EFGDRN C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000824384786 607348140 /nfs/dbraw/zinc/34/81/40/607348140.db2.gz HMZNSJOEPNRJEC-NSHDSACASA-N 0 0 340.362 2.643 20 50 EFGDRN Cc1ccc2[nH]c(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)cc2c1C ZINC000826293542 607346763 /nfs/dbraw/zinc/34/67/63/607346763.db2.gz SSMXWAZDGKRHAX-UHFFFAOYSA-N 0 0 347.382 2.722 20 50 EFGDRN CCn1cc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)c2ccccc21 ZINC000825799683 607350357 /nfs/dbraw/zinc/35/03/57/607350357.db2.gz QSDAYTZZCZGBNK-UHFFFAOYSA-N 0 0 347.382 2.598 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000826446404 607353076 /nfs/dbraw/zinc/35/30/76/607353076.db2.gz KDORLQKCZLPLBP-UHFFFAOYSA-N 0 0 338.415 2.526 20 50 EFGDRN CCCCc1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000825296540 607354968 /nfs/dbraw/zinc/35/49/68/607354968.db2.gz NNFVOGGETVHLJC-UHFFFAOYSA-N 0 0 336.399 2.966 20 50 EFGDRN CC1(C)CCC[C@@H](C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824803712 607782774 /nfs/dbraw/zinc/78/27/74/607782774.db2.gz WIVBNTNNCRFFGQ-GFCCVEGCSA-N 0 0 326.404 2.799 20 50 EFGDRN CC(C)(CC(=O)[O-])[NH2+]CCP(=O)(c1ccccc1)c1ccccc1 ZINC000826537945 604443267 /nfs/dbraw/zinc/44/32/67/604443267.db2.gz CSZOCSUZRZBCKK-UHFFFAOYSA-N 0 0 345.379 2.843 20 50 EFGDRN O=C(Cc1ccc2ccccc2c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826422622 607723135 /nfs/dbraw/zinc/72/31/35/607723135.db2.gz GGWLDTGCRQTTQI-UHFFFAOYSA-N 0 0 344.378 2.706 20 50 EFGDRN Cc1[nH]c2c(cccc2C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C ZINC000826233141 607724087 /nfs/dbraw/zinc/72/40/87/607724087.db2.gz VJLVPTVGYWKHFQ-UHFFFAOYSA-N 0 0 347.382 2.722 20 50 EFGDRN CC(C)Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000824280421 607725555 /nfs/dbraw/zinc/72/55/55/607725555.db2.gz MVTCQRQIPCLYNL-UHFFFAOYSA-N 0 0 336.399 2.822 20 50 EFGDRN CCc1sc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000825782813 607727986 /nfs/dbraw/zinc/72/79/86/607727986.db2.gz QMEIKNACXUAEIA-UHFFFAOYSA-N 0 0 328.401 2.556 20 50 EFGDRN O=C(CC=Cc1cccc(F)c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826405040 607732027 /nfs/dbraw/zinc/73/20/27/607732027.db2.gz UDSILHNUVXOSQG-DJWKRKHSSA-N 0 0 338.346 2.552 20 50 EFGDRN C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833616206 605742409 /nfs/dbraw/zinc/74/24/09/605742409.db2.gz XKZDIIPQZSBDFO-AWEZNQCLSA-N 0 0 348.447 2.666 20 50 EFGDRN CC(C)[NH+](CCCNC(=O)NNc1cccc(C(=O)[O-])c1)C(C)C ZINC000833498445 605745726 /nfs/dbraw/zinc/74/57/26/605745726.db2.gz QHACTJHTQUIWGL-UHFFFAOYSA-N 0 0 336.436 2.520 20 50 EFGDRN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccccc1 ZINC000823281366 606128240 /nfs/dbraw/zinc/12/82/40/606128240.db2.gz RFJDURDILULTLK-UHFFFAOYSA-N 0 0 348.288 2.642 20 50 EFGDRN N#CC(=Cc1ccc2c(c1)CCO2)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379028 608215532 /nfs/dbraw/zinc/21/55/32/608215532.db2.gz HLCKFXRHQQTXEC-SXGWCWSVSA-N 0 0 343.346 2.591 20 50 EFGDRN C[C@H]1C[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CC(C)(C)C1 ZINC000824866753 609164313 /nfs/dbraw/zinc/16/43/13/609164313.db2.gz NHRLYMTYYHIXGT-AAEUAGOBSA-N 0 0 328.420 2.772 20 50 EFGDRN Cc1ccnc2[nH]c(C(C#N)=Cc3cccc(-c4nn[nH]n4)c3)nc21 ZINC000737446202 945070998 /nfs/dbraw/zinc/07/09/98/945070998.db2.gz UMGXRUZLEAEFIT-MDWZMJQESA-N 0 0 328.339 2.511 20 50 EFGDRN Cc1ccc(C2CC(=NNC(=O)c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000737327771 945039143 /nfs/dbraw/zinc/03/91/43/945039143.db2.gz AJNOFBKBOGRFDM-UHFFFAOYSA-N 0 0 346.394 2.839 20 50 EFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)c1nc2ccccc2[nH]1 ZINC000822795673 946176990 /nfs/dbraw/zinc/17/69/90/946176990.db2.gz FKPUIZIVIZSXSC-KPKJPENVSA-N 0 0 331.314 2.946 20 50 EFGDRN C[C@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1cc2ccccc2o1 ZINC001573727732 948557447 /nfs/dbraw/zinc/55/74/47/948557447.db2.gz BUPOFWQULOSGSM-NSHDSACASA-N 0 0 348.366 2.860 20 50 EFGDRN CC(C)[N@H+](CCP(=O)(c1ccccc1)c1ccccc1)CC(=O)[O-] ZINC000820024916 955464357 /nfs/dbraw/zinc/46/43/57/955464357.db2.gz IRMLODKMGRSIGI-UHFFFAOYSA-N 0 0 345.379 2.796 20 50 EFGDRN C[C@@H](CBr)C[NH2+][C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC001592211196 977260064 /nfs/dbraw/zinc/26/00/64/977260064.db2.gz JSQWMQHIOPPJBM-QWRGUYRKSA-N 0 0 330.222 2.832 20 50 EFGDRN CC[C@@H](c1ccccc1)[N@H+](CCI)CC(=O)[O-] ZINC001595363489 980783265 /nfs/dbraw/zinc/78/32/65/980783265.db2.gz GKAIWSMAUSWIBC-LBPRGKRZSA-N 0 0 347.196 2.959 20 50 EFGDRN CC(C)(C)[Si](C)(C)OC1(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)CCOCC1 ZINC001590451318 990012328 /nfs/dbraw/zinc/01/23/28/990012328.db2.gz ISAPQFBKACICDK-CQSZACIVSA-N 0 0 343.540 2.964 20 50 EFGDRN CC(C)([NH2+]C[C@@H](CBr)C1CC1)c1nocc1C(=O)[O-] ZINC001590866455 990758414 /nfs/dbraw/zinc/75/84/14/990758414.db2.gz AQUVOIBRFFKVOY-SECBINFHSA-N 0 0 331.210 2.619 20 50 EFGDRN CC(C)(C)[Si](C)(C)OC[C@H]1CCCC[N@@H+]1C[C@@](C)(O)C(=O)[O-] ZINC001593396017 995135641 /nfs/dbraw/zinc/13/56/41/995135641.db2.gz FBDPYIOAHZHRDE-CZUORRHYSA-N 0 0 331.529 2.698 20 50 EFGDRN C[C@@H]1[C@@H](Cl)[C@H]1C[NH+]1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001594187348 998724893 /nfs/dbraw/zinc/72/48/93/998724893.db2.gz GBBARYSTVUDENV-NURSFMCSSA-N 0 0 328.865 2.969 20 50 EFGDRN CC[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000825082996 607345538 /nfs/dbraw/zinc/34/55/38/607345538.db2.gz WLVAVKPGMSKHFD-ZDUSSCGKSA-N 0 0 336.399 2.894 20 50 EFGDRN C[C@@]1(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCc2ccccc21 ZINC000824783417 607347763 /nfs/dbraw/zinc/34/77/63/607347763.db2.gz GLDBWXLCLLOFEP-LJQANCHMSA-N 0 0 348.410 2.604 20 50 EFGDRN Cc1c(Cl)cccc1NNC(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826237300 607393372 /nfs/dbraw/zinc/39/33/72/607393372.db2.gz VDNUFXRHGOFGFQ-UHFFFAOYSA-N 0 0 342.790 2.514 20 50 EFGDRN C[C@]1(C(=O)NNc2cccc(-c3nn[nH]n3)c2)CCc2ccccc2C1 ZINC000824784254 607719045 /nfs/dbraw/zinc/71/90/45/607719045.db2.gz QAGCRKSCOYANPP-IBGZPJMESA-N 0 0 348.410 2.505 20 50 EFGDRN Cc1cc2cc(C(=O)NNc3cccc(-c4nn[nH]n4)c3)oc2cc1C ZINC000826273343 607721338 /nfs/dbraw/zinc/72/13/38/607721338.db2.gz ZPAXCNBXGVIGQF-UHFFFAOYSA-N 0 0 348.366 2.987 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(Cc2ccccc2)CCC1 ZINC000826447831 607721355 /nfs/dbraw/zinc/72/13/55/607721355.db2.gz XXYIIHWJXSXUCH-UHFFFAOYSA-N 0 0 348.410 2.723 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2sccc2c1 ZINC000826448719 607722049 /nfs/dbraw/zinc/72/20/49/607722049.db2.gz IETPFBLECVXKKF-UHFFFAOYSA-N 0 0 336.380 2.838 20 50 EFGDRN O=C(C=Cc1ccccc1Cl)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826401491 607728210 /nfs/dbraw/zinc/72/82/10/607728210.db2.gz AAZXJHULIFLLFI-HJWRWDBZSA-N 0 0 340.774 2.677 20 50 EFGDRN Cc1ccc(CCC(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826287263 607728524 /nfs/dbraw/zinc/72/85/24/607728524.db2.gz IWUPRIDOJIYBPF-UHFFFAOYSA-N 0 0 336.399 2.559 20 50 EFGDRN C[C@@H]1CCC[C@@](CNC(=O)NNc2cccc(C(=O)[O-])c2)([NH+](C)C)C1 ZINC000833608252 605741353 /nfs/dbraw/zinc/74/13/53/605741353.db2.gz NALUPVLQOYUCTK-FZKQIMNGSA-N 0 0 348.447 2.521 20 50 EFGDRN C[C@@H]1CCC[N@H+](CCCCNC(=O)NNc2cccc(C(=O)[O-])c2)C1 ZINC000833613084 605742413 /nfs/dbraw/zinc/74/24/13/605742413.db2.gz CHOBETDEDRDCDZ-CQSZACIVSA-N 0 0 348.447 2.523 20 50 EFGDRN C[C@H](C(=O)[O-])[C@@H]([NH2+]CCCI)c1ccccc1 ZINC000833406410 605840086 /nfs/dbraw/zinc/84/00/86/605840086.db2.gz FCPUMKLKIVRXCX-CMPLNLGQSA-N 0 0 347.196 2.863 20 50 EFGDRN C[C@@H](NC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1)c1ccccc1 ZINC000824471163 607883434 /nfs/dbraw/zinc/88/34/34/607883434.db2.gz OSPODMXGNKBLFM-YYTPVVGHSA-N 0 0 344.378 2.651 20 50 EFGDRN O=C(NN=Cc1ccccc1-c1nn[nH]n1)c1ccc2ccccc2c1 ZINC000826444454 607887027 /nfs/dbraw/zinc/88/70/27/607887027.db2.gz HGVXCXYUDXEICA-UHFFFAOYSA-N 0 0 342.362 2.784 20 50 EFGDRN Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc(C)c1O ZINC000826266664 608214783 /nfs/dbraw/zinc/21/47/83/608214783.db2.gz XCJFNKVTZDVFBO-PXNMLYILSA-N 0 0 345.362 2.979 20 50 EFGDRN N#CC(=Cc1ccc(F)c(C#N)c1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378954 608217321 /nfs/dbraw/zinc/21/73/21/608217321.db2.gz FUOKLLQYRWRQCB-CHHVJCJISA-N 0 0 344.309 2.667 20 50 EFGDRN N#CC(=Cc1ccc(C#N)cc1F)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379513 608217826 /nfs/dbraw/zinc/21/78/26/608217826.db2.gz UHNVMAAJGHXGDC-VIZOYTHASA-N 0 0 344.309 2.667 20 50 EFGDRN CSc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826230684 608804067 /nfs/dbraw/zinc/80/40/67/608804067.db2.gz FMMGKWKYIJJVFM-UHFFFAOYSA-N 0 0 341.400 2.737 20 50 EFGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1cccc(C(F)F)c1 ZINC000826448315 608810637 /nfs/dbraw/zinc/81/06/37/608810637.db2.gz QOAMHSPGBRSQJK-UHFFFAOYSA-N 0 0 345.313 2.953 20 50 EFGDRN CCC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccc1F ZINC000825029254 609412926 /nfs/dbraw/zinc/41/29/26/609412926.db2.gz PSJYTBDGUCMPNB-UHFFFAOYSA-N 0 0 338.346 2.550 20 50 EFGDRN