smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nnn[n-]3)C2)[nH]1 ZINC001571309630 946449097 /nfs/dbraw/zinc/44/90/97/946449097.db2.gz FWLDUZKISAJOIX-OAHLLOKOSA-N 0 3 392.423 0.697 20 30 GCEDHN N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nn[n-]n3)C2)[nH]1 ZINC001571309630 946449103 /nfs/dbraw/zinc/44/91/03/946449103.db2.gz FWLDUZKISAJOIX-OAHLLOKOSA-N 0 3 392.423 0.697 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573284882 946760520 /nfs/dbraw/zinc/76/05/20/946760520.db2.gz AENCDKIXKMJRQS-DZGCQCFKSA-N 0 3 384.440 0.604 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573284882 946760526 /nfs/dbraw/zinc/76/05/26/946760526.db2.gz AENCDKIXKMJRQS-DZGCQCFKSA-N 0 3 384.440 0.604 20 30 GCEDHN C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573284931 946761960 /nfs/dbraw/zinc/76/19/60/946761960.db2.gz ANQKCUOWFAQMAU-TZMCWYRMSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573286002 946792260 /nfs/dbraw/zinc/79/22/60/946792260.db2.gz RFYOSGFLQULHRK-RDJZCZTQSA-N 0 3 383.456 0.817 20 30 GCEDHN C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573286002 946792266 /nfs/dbraw/zinc/79/22/66/946792266.db2.gz RFYOSGFLQULHRK-RDJZCZTQSA-N 0 3 383.456 0.817 20 30 GCEDHN C#CCOCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573286506 946808249 /nfs/dbraw/zinc/80/82/49/946808249.db2.gz CTOZTKRXOKKEPG-UHFFFAOYSA-N 0 3 380.452 0.941 20 30 GCEDHN C#CCOCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C2 ZINC001573286506 946808260 /nfs/dbraw/zinc/80/82/60/946808260.db2.gz CTOZTKRXOKKEPG-UHFFFAOYSA-N 0 3 380.452 0.941 20 30 GCEDHN C#CCOCCC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573287176 946828729 /nfs/dbraw/zinc/82/87/29/946828729.db2.gz MATNYBCBAPRLKZ-MRXNPFEDSA-N 0 3 384.440 0.606 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001573287809 946848618 /nfs/dbraw/zinc/84/86/18/946848618.db2.gz LDIYXWCMQPVANX-QGZVFWFLSA-N 0 3 376.420 0.729 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001573287809 946848632 /nfs/dbraw/zinc/84/86/32/946848632.db2.gz LDIYXWCMQPVANX-QGZVFWFLSA-N 0 3 376.420 0.729 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573565101 946999828 /nfs/dbraw/zinc/99/98/28/946999828.db2.gz MYTXEGVDDAOEID-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573565101 946999835 /nfs/dbraw/zinc/99/98/35/946999835.db2.gz MYTXEGVDDAOEID-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573565101 946999844 /nfs/dbraw/zinc/99/98/44/946999844.db2.gz MYTXEGVDDAOEID-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573565101 946999850 /nfs/dbraw/zinc/99/98/50/946999850.db2.gz MYTXEGVDDAOEID-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567682 947052879 /nfs/dbraw/zinc/05/28/79/947052879.db2.gz QVAVODNLIMNKJE-SGTLLEGYSA-N 0 3 387.419 0.609 20 30 GCEDHN C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOCC1 ZINC001573575920 947145476 /nfs/dbraw/zinc/14/54/76/947145476.db2.gz BULDLFWHWGMZSI-GFCCVEGCSA-N 0 3 387.419 0.920 20 30 GCEDHN C=CCOCC(=O)N1CCO[C@@H](CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573343202 947552331 /nfs/dbraw/zinc/55/23/31/947552331.db2.gz KTTJGLNXQXYCPQ-HNNXBMFYSA-N 0 3 390.419 0.525 20 30 GCEDHN N#Cc1cc(Br)cnc1NCCCCN1CCN(CCO)CC1 ZINC000450328469 530364010 /nfs/dbraw/zinc/36/40/10/530364010.db2.gz CBYFLGXVGXFSRA-UHFFFAOYSA-N 0 3 382.306 1.518 20 30 GCEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000591767211 530410671 /nfs/dbraw/zinc/41/06/71/530410671.db2.gz ZMJCFGQTJRJFMM-HUUCEWRRSA-N 0 3 386.543 0.697 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc1 ZINC000289920124 530429121 /nfs/dbraw/zinc/42/91/21/530429121.db2.gz VCLWRTMLCJBABM-LLVKDONJSA-N 0 3 388.471 0.385 20 30 GCEDHN C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)NCCN(C)C ZINC000571461911 530507220 /nfs/dbraw/zinc/50/72/20/530507220.db2.gz VVSVZYAQBZGHRE-LLVKDONJSA-N 0 3 397.273 0.882 20 30 GCEDHN CCS(=O)(=O)NC1CCN(C(=O)NC2CCN(CCOC)CC2)CC1 ZINC000330474955 530520400 /nfs/dbraw/zinc/52/04/00/530520400.db2.gz FGOHWDDFKKHNDE-UHFFFAOYSA-N 0 3 376.523 0.415 20 30 GCEDHN COCCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000330732914 530524923 /nfs/dbraw/zinc/52/49/23/530524923.db2.gz SIGPONPUQIVLQK-HUUCEWRRSA-N 0 3 376.523 0.461 20 30 GCEDHN CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000566488180 530530747 /nfs/dbraw/zinc/53/07/47/530530747.db2.gz NJAWJCZKEPTLAR-CYBMUJFWSA-N 0 3 386.499 0.061 20 30 GCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000330941591 530533702 /nfs/dbraw/zinc/53/37/02/530533702.db2.gz YSROCAHLTPYZSS-CABCVRRESA-N 0 3 376.523 0.367 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000293736375 530567516 /nfs/dbraw/zinc/56/75/16/530567516.db2.gz HDXYCUQQMUANGX-UHFFFAOYSA-N 0 3 385.511 0.460 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000349463933 530640640 /nfs/dbraw/zinc/64/06/40/530640640.db2.gz CACGKFVVMFHIGR-SOUVJXGZSA-N 0 3 392.547 0.096 20 30 GCEDHN N#Cc1ccccc1OC[C@@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000600721790 530822650 /nfs/dbraw/zinc/82/26/50/530822650.db2.gz MDGKQSCYHWUQBO-HNNXBMFYSA-N 0 3 385.511 0.266 20 30 GCEDHN CN(C)[C@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCSC1 ZINC000555057317 530904760 /nfs/dbraw/zinc/90/47/60/530904760.db2.gz ZHSLSIRQKXBQBW-INIZCTEOSA-N 0 3 382.511 0.390 20 30 GCEDHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000499535002 530942606 /nfs/dbraw/zinc/94/26/06/530942606.db2.gz QRVSRTHYUGNPSM-UHFFFAOYSA-N 0 3 383.246 0.690 20 30 GCEDHN C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349592185 531074188 /nfs/dbraw/zinc/07/41/88/531074188.db2.gz NEFHFMCTOVQJAN-CYBMUJFWSA-N 0 3 388.515 0.552 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381685 598384330 /nfs/dbraw/zinc/38/43/30/598384330.db2.gz OUEJULZOLICZHK-IBGZPJMESA-N 0 3 393.495 0.999 20 30 GCEDHN C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819693927 599392500 /nfs/dbraw/zinc/39/25/00/599392500.db2.gz ZVYXSSWXBRHTAH-UHFFFAOYSA-N 0 3 381.440 0.200 20 30 GCEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857875 606699210 /nfs/dbraw/zinc/69/92/10/606699210.db2.gz WIJYKYOKAKCKGO-DIFFPNOSSA-N 0 3 388.480 0.479 20 30 GCEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857875 606699211 /nfs/dbraw/zinc/69/92/11/606699211.db2.gz WIJYKYOKAKCKGO-DIFFPNOSSA-N 0 3 388.480 0.479 20 30 GCEDHN CC(C)NC(=O)C(C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727234233 638742145 /nfs/dbraw/zinc/74/21/45/638742145.db2.gz ZTVWTWVYXNOWQS-MRVPVSSYSA-N 0 3 395.217 0.126 20 30 GCEDHN C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(CCOC)C2)s1 ZINC000874444274 641525062 /nfs/dbraw/zinc/52/50/62/641525062.db2.gz UYXSRCVFWVXRQZ-ZDUSSCGKSA-N 0 3 387.527 0.592 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(Br)cc(C(N)=O)c1 ZINC000815083029 641819822 /nfs/dbraw/zinc/81/98/22/641819822.db2.gz LVIGTQNOIFJGOJ-UHFFFAOYSA-N 0 3 388.287 0.781 20 30 GCEDHN N#CC(C(=O)COc1ccc(Cl)c(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000815946814 641837451 /nfs/dbraw/zinc/83/74/51/641837451.db2.gz GHPGBPZXFWGZDH-LLVKDONJSA-N 0 3 388.804 0.824 20 30 GCEDHN N#Cc1cc(NC(=O)C(=O)N2CCNCCNCC2)ccc1Br ZINC000927881837 641938862 /nfs/dbraw/zinc/93/88/62/641938862.db2.gz DKEBBBCFUOFMEK-UHFFFAOYSA-N 0 3 380.246 0.281 20 30 GCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCCCS1(=O)=O ZINC000888954224 1192222953 /nfs/dbraw/zinc/22/29/53/1192222953.db2.gz JIHZKTZKYJBHRT-UHFFFAOYSA-N 0 3 378.498 0.874 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000979078592 1192249613 /nfs/dbraw/zinc/24/96/13/1192249613.db2.gz FTFKLAZFYRHOSL-DUJMNAJWSA-N 0 3 385.508 0.766 20 30 GCEDHN N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC[C@@H]1CNCCO1 ZINC000418763488 1192640249 /nfs/dbraw/zinc/64/02/49/1192640249.db2.gz JSIUKVHZGQGBSU-HNNXBMFYSA-N 0 3 383.456 0.546 20 30 GCEDHN C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000418940133 1192698095 /nfs/dbraw/zinc/69/80/95/1192698095.db2.gz SQQALNANZHKOAJ-QGZVFWFLSA-N 0 3 398.467 0.782 20 30 GCEDHN CN(C)[C@H](CNC(=O)CN1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 ZINC000933113642 1185544169 /nfs/dbraw/zinc/54/41/69/1185544169.db2.gz YNPMUAKNVVMSRU-ZHALLVOQSA-N 0 3 390.509 0.276 20 30 GCEDHN C=CCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000276359928 1185762874 /nfs/dbraw/zinc/76/28/74/1185762874.db2.gz FUUWDRLGOJBQQW-UHFFFAOYSA-N 0 3 396.469 0.936 20 30 GCEDHN CCOC(=O)CON=C(C(=O)NC[C@H](c1ccco1)N(C)C)c1ccn[nH]1 ZINC000276657981 1185935250 /nfs/dbraw/zinc/93/52/50/1185935250.db2.gz MHMAUVQQOREWBG-IQQDNESTSA-N 0 3 377.401 0.706 20 30 GCEDHN C[C@]1(C2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)NC(=O)NC1=O ZINC000610648608 1186092963 /nfs/dbraw/zinc/09/29/63/1186092963.db2.gz YODVALQOHOCHGF-OXJNMPFZSA-N 0 3 386.452 0.802 20 30 GCEDHN C[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)CN1CCN(C)CC1 ZINC000511023270 1186329804 /nfs/dbraw/zinc/32/98/04/1186329804.db2.gz AUUIAKMLUNSUFM-OAHLLOKOSA-N 0 3 381.484 0.939 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 ZINC000264073471 1186545441 /nfs/dbraw/zinc/54/54/41/1186545441.db2.gz BNSWMUIMYQZEKP-UHFFFAOYSA-N 0 3 385.468 0.301 20 30 GCEDHN C=C(C)CN1CCC(NC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)CC1 ZINC000153335244 1186677416 /nfs/dbraw/zinc/67/74/16/1186677416.db2.gz IBWTYBDWULFDDQ-UHFFFAOYSA-N 0 3 399.495 0.965 20 30 GCEDHN CN1CCN(C)[C@@H](CNc2ccc(C#N)c(NC[C@H]3CN(C)CCN3C)n2)C1 ZINC000278381445 1186922162 /nfs/dbraw/zinc/92/21/62/1186922162.db2.gz LONKIPPECJUEQH-ROUUACIJSA-N 0 3 386.548 0.269 20 30 GCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000584044378 1186988975 /nfs/dbraw/zinc/98/89/75/1186988975.db2.gz WHMCKGKPHBOWCR-SFHVURJKSA-N 0 3 379.482 0.337 20 30 GCEDHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000329676349 1187000371 /nfs/dbraw/zinc/00/03/71/1187000371.db2.gz POLRSVLIZCAIKF-UHFFFAOYSA-N 0 3 379.505 0.541 20 30 GCEDHN C#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211620545 1187072978 /nfs/dbraw/zinc/07/29/78/1187072978.db2.gz SQSWBKXXAMWZHH-FTEYMNFISA-N 0 3 391.475 0.847 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001023942215 1187182708 /nfs/dbraw/zinc/18/27/08/1187182708.db2.gz QHRNJUXFBHWZSV-MLHJIOFPSA-N 0 3 393.528 0.920 20 30 GCEDHN 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CN1CCC(CNS(=O)(=O)c2ccc(C#N)s2)(N2CCOCC2)CC1 ZINC000581714975 530325550 /nfs/dbraw/zinc/32/55/50/530325550.db2.gz DPFGIFIDCAHZOS-UHFFFAOYSA-N 0 3 384.527 0.695 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000588288959 530342453 /nfs/dbraw/zinc/34/24/53/530342453.db2.gz PZMZITRGHKFFLP-NEPJUHHUSA-N 0 3 385.467 0.929 20 30 GCEDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC[C@H](O)CN(C)CCC#N ZINC000563010136 530350054 /nfs/dbraw/zinc/35/00/54/530350054.db2.gz GAHXRDQXJDNMRO-HNNXBMFYSA-N 0 3 388.921 0.723 20 30 GCEDHN CN(CCC#N)C[C@H](O)CNCCNC(=O)c1ccc(Br)cc1 ZINC000591728001 530410618 /nfs/dbraw/zinc/41/06/18/530410618.db2.gz WEVPXVJDBLHWJY-OAHLLOKOSA-N 0 3 383.290 0.975 20 30 GCEDHN C#CCN(C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000293977564 530456903 /nfs/dbraw/zinc/45/69/03/530456903.db2.gz MRHFPVOXOOUVBK-UHFFFAOYSA-N 0 3 385.511 0.454 20 30 GCEDHN N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000572367908 530514114 /nfs/dbraw/zinc/51/41/14/530514114.db2.gz MQOTUJGMOJSATE-UHFFFAOYSA-N 0 3 387.303 0.894 20 30 GCEDHN C=CCN1CC[C@H](N(C)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1=O ZINC000296211214 530568557 /nfs/dbraw/zinc/56/85/57/530568557.db2.gz WKPVHBXLLZWQAC-WDEREUQCSA-N 0 3 386.392 0.919 20 30 GCEDHN CN(C)C1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CCC1 ZINC000574465168 530590887 /nfs/dbraw/zinc/59/08/87/530590887.db2.gz DKGIBHNLYWKCIF-UHFFFAOYSA-N 0 3 386.499 0.251 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCSC1 ZINC000330138891 530626964 /nfs/dbraw/zinc/62/69/64/530626964.db2.gz IOCXDOPDOKXFOD-ZFWWWQNUSA-N 0 3 378.564 0.599 20 30 GCEDHN N#Cc1ccccc1OC[C@@H](O)CNCCNS(=O)(=O)c1cccs1 ZINC000600725181 530822430 /nfs/dbraw/zinc/82/24/30/530822430.db2.gz CNSKHYFSQVOWPN-AWEZNQCLSA-N 0 3 381.479 0.928 20 30 GCEDHN CN(C)CCOCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500646937 530927307 /nfs/dbraw/zinc/92/73/07/530927307.db2.gz ZLAUFCIDDCTQEX-UHFFFAOYSA-N 0 3 383.246 0.954 20 30 GCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000270497568 531005641 /nfs/dbraw/zinc/00/56/41/531005641.db2.gz PFWOJNUXVKKQHP-HOTGVXAUSA-N 0 3 381.523 0.716 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1 ZINC000566486356 531199055 /nfs/dbraw/zinc/19/90/55/531199055.db2.gz FRBZSYUDWPBSLN-QWHCGFSZSA-N 0 3 386.499 0.107 20 30 GCEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857873 606699114 /nfs/dbraw/zinc/69/91/14/606699114.db2.gz WIJYKYOKAKCKGO-APPDUMDISA-N 0 3 388.480 0.479 20 30 GCEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857873 606699116 /nfs/dbraw/zinc/69/91/16/606699116.db2.gz WIJYKYOKAKCKGO-APPDUMDISA-N 0 3 388.480 0.479 20 30 GCEDHN CN(CCC#N)C(=O)CC[NH+]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000825914970 608088595 /nfs/dbraw/zinc/08/85/95/608088595.db2.gz QFSGFEFRDHTEAC-UHFFFAOYSA-N 0 3 386.435 0.890 20 30 GCEDHN C#CCN(C)CCCNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000895057729 638720274 /nfs/dbraw/zinc/72/02/74/638720274.db2.gz XGVOGUXMWZNOTL-CYBMUJFWSA-N 0 3 394.273 0.962 20 30 GCEDHN C#CCN(C)CCCNC(=O)NCc1c(I)cnn1C ZINC000868652995 641408083 /nfs/dbraw/zinc/40/80/83/641408083.db2.gz ODFCRGZPZWGETA-UHFFFAOYSA-N 0 3 389.241 0.779 20 30 GCEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000876550920 641566506 /nfs/dbraw/zinc/56/65/06/641566506.db2.gz HOAYGQQKGBQEFH-HNNXBMFYSA-N 0 3 387.889 0.998 20 30 GCEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000830473527 642139597 /nfs/dbraw/zinc/13/95/97/642139597.db2.gz GGEDJRSVKGVZQH-RYUDHWBXSA-N 0 3 383.392 0.872 20 30 GCEDHN Cc1c(Br)c(C)n(NC(=O)[C@H]2CN3CCN2CCC3)c(=O)c1C#N ZINC000848376357 642537448 /nfs/dbraw/zinc/53/74/48/642537448.db2.gz SOQAIHYKHIORGW-CYBMUJFWSA-N 0 3 394.273 0.559 20 30 GCEDHN C#CCN(C)CCCNC(=O)NCCNC(=O)c1ccc(Br)cn1 ZINC000852357421 642761160 /nfs/dbraw/zinc/76/11/60/642761160.db2.gz ATSYTDZHUATIPK-UHFFFAOYSA-N 0 3 396.289 0.828 20 30 GCEDHN C=CCCCCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000410646116 1192786398 /nfs/dbraw/zinc/78/63/98/1192786398.db2.gz YAORIQNWQYKFPT-QGZVFWFLSA-N 0 3 378.517 0.956 20 30 GCEDHN C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)NCCN1CCCCC1 ZINC000549729333 1192862825 /nfs/dbraw/zinc/86/28/25/1192862825.db2.gz WFFFYFASSYEJIZ-OAHLLOKOSA-N 0 3 385.468 0.395 20 30 GCEDHN C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000275091785 1184505728 /nfs/dbraw/zinc/50/57/28/1184505728.db2.gz UYLROUXDVNEQEZ-QGZVFWFLSA-N 0 3 398.463 0.402 20 30 GCEDHN CC1CCN(CCNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000328654861 1184582455 /nfs/dbraw/zinc/58/24/55/1184582455.db2.gz MEPGQERRTLRUHK-UHFFFAOYSA-N 0 3 381.521 0.109 20 30 GCEDHN COc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ncn1 ZINC000275478152 1184683402 /nfs/dbraw/zinc/68/34/02/1184683402.db2.gz PHTZTLKGPZWFQS-UHFFFAOYSA-N 0 3 382.424 0.886 20 30 GCEDHN C=CCNC(=O)NC(=O)CNC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001670496728 1184988522 /nfs/dbraw/zinc/98/85/22/1184988522.db2.gz VZZTXUMUOLKVFP-QBYUYEEZSA-N 0 3 378.473 0.298 20 30 GCEDHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000328731966 1185231452 /nfs/dbraw/zinc/23/14/52/1185231452.db2.gz IURAPQWISFWDKH-MRXNPFEDSA-N 0 3 388.534 0.369 20 30 GCEDHN CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000275977469 1185354324 /nfs/dbraw/zinc/35/43/24/1185354324.db2.gz MHGPGHYYGBBJRF-UHFFFAOYSA-N 0 3 387.484 0.991 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000558526161 1185650174 /nfs/dbraw/zinc/65/01/74/1185650174.db2.gz HZNWAJXXMJNXGZ-UHFFFAOYSA-N 0 3 379.424 0.844 20 30 GCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cncc4ncnn43)CC2)CC1 ZINC000276340013 1185744294 /nfs/dbraw/zinc/74/42/94/1185744294.db2.gz HDKNCVXSUVYJII-UHFFFAOYSA-N 0 3 384.488 0.996 20 30 GCEDHN C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)C1 ZINC000891607536 1185938169 /nfs/dbraw/zinc/93/81/69/1185938169.db2.gz OIFPPUFSWCOTKI-FQEVSTJZSA-N 0 3 397.523 0.586 20 30 GCEDHN CC(C)N1CCN(C2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC000328857987 1185985984 /nfs/dbraw/zinc/98/59/84/1185985984.db2.gz YBRVGVBNYZXZEL-QGZVFWFLSA-N 0 3 386.562 0.968 20 30 GCEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N ZINC000176039295 1186118991 /nfs/dbraw/zinc/11/89/91/1186118991.db2.gz HDPIQZYCERPREF-UHFFFAOYSA-N 0 3 383.456 0.921 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610822025 1186244460 /nfs/dbraw/zinc/24/44/60/1186244460.db2.gz ZJUAOTLLUOQBLC-QUCCMNQESA-N 0 3 386.496 0.731 20 30 GCEDHN C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)CN1CCN(C)CC1 ZINC000511023258 1186329594 /nfs/dbraw/zinc/32/95/94/1186329594.db2.gz AUUIAKMLUNSUFM-HNNXBMFYSA-N 0 3 381.484 0.939 20 30 GCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000582072066 1186397214 /nfs/dbraw/zinc/39/72/14/1186397214.db2.gz LNQPMNIMYDZLPF-VNQPRFMTSA-N 0 3 376.482 0.920 20 30 GCEDHN CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@H](C)C1 ZINC001708084787 1186537188 /nfs/dbraw/zinc/53/71/88/1186537188.db2.gz FOYKLKBEQYDJOE-JKSUJKDBSA-N 0 3 389.504 0.877 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCc1ccn(C)n1 ZINC000582810536 1186688649 /nfs/dbraw/zinc/68/86/49/1186688649.db2.gz ADRMAIQNSLKGCT-UHFFFAOYSA-N 0 3 382.468 0.541 20 30 GCEDHN CCN1CCN(CCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000277923279 1186703533 /nfs/dbraw/zinc/70/35/33/1186703533.db2.gz RMENVWGVVSMCKP-LJQANCHMSA-N 0 3 383.496 0.803 20 30 GCEDHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H](N)CCCC#N)CC2)cc1 ZINC000583438264 1186757036 /nfs/dbraw/zinc/75/70/36/1186757036.db2.gz AHGBVKVTANCSHN-SFHVURJKSA-N 0 3 387.484 0.590 20 30 GCEDHN CN(C)CCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000176374769 1186769057 /nfs/dbraw/zinc/76/90/57/1186769057.db2.gz SPSWDWULPHNNBX-UHFFFAOYSA-N 0 3 378.498 0.979 20 30 GCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000248006841 1186779962 /nfs/dbraw/zinc/77/99/62/1186779962.db2.gz KXOITWNBAXIDPF-YDHLFZDLSA-N 0 3 376.482 0.966 20 30 GCEDHN C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000329160222 1186866606 /nfs/dbraw/zinc/86/66/06/1186866606.db2.gz DQVVVVCHEQLCEC-SJORKVTESA-N 0 3 393.532 0.930 20 30 GCEDHN C=CCc1ccc(OC[C@@H](O)CNC[C@@H]2CS(=O)(=O)CCO2)c(OC)c1 ZINC000583867236 1186955377 /nfs/dbraw/zinc/95/53/77/1186955377.db2.gz WQYSXTJKAGCRRJ-JKSUJKDBSA-N 0 3 385.482 0.567 20 30 GCEDHN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000052654518 1186956720 /nfs/dbraw/zinc/95/67/20/1186956720.db2.gz JFTYTKCGSOBJFH-UHFFFAOYSA-N 0 3 387.484 0.295 20 30 GCEDHN CC(C)N1CCN(C2CCN(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000329856261 1187130321 /nfs/dbraw/zinc/13/03/21/1187130321.db2.gz UQMRGCRRRIPSJZ-INIZCTEOSA-N 0 3 386.562 0.968 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1O ZINC001023942471 1187182490 /nfs/dbraw/zinc/18/24/90/1187182490.db2.gz YNQBDPXDUYNZCI-HZMVEIRTSA-N 0 3 379.501 0.530 20 30 GCEDHN CC(C)CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000065962197 1187514718 /nfs/dbraw/zinc/51/47/18/1187514718.db2.gz UGSCGFAGBQDLOL-UHFFFAOYSA-N 0 3 378.498 0.979 20 30 GCEDHN CC(C)Nc1nc(NCCO)nc(N2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000376466925 1187858072 /nfs/dbraw/zinc/85/80/72/1187858072.db2.gz LITXUCXVTZEPAU-UHFFFAOYSA-N 0 3 382.472 0.397 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377474693 1188032356 /nfs/dbraw/zinc/03/23/56/1188032356.db2.gz JCLKDKRQXSVTSG-HZPDHXFCSA-N 0 3 377.466 0.191 20 30 GCEDHN CN1CCC(CNS(=O)(=O)c2cccnc2C#N)(N2CCOCC2)CC1 ZINC000416591348 1189558669 /nfs/dbraw/zinc/55/86/69/1189558669.db2.gz UICRMGZBDIPDOW-UHFFFAOYSA-N 0 3 379.486 0.028 20 30 GCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000364377364 1189773335 /nfs/dbraw/zinc/77/33/35/1189773335.db2.gz OJQFDCWZTQUAQQ-HZPDHXFCSA-N 0 3 377.466 0.191 20 30 GCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000364377363 1189773381 /nfs/dbraw/zinc/77/33/81/1189773381.db2.gz OJQFDCWZTQUAQQ-HOTGVXAUSA-N 0 3 377.466 0.191 20 30 GCEDHN C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC000664021343 1193759284 /nfs/dbraw/zinc/75/92/84/1193759284.db2.gz WWEXCMJMGNQTDI-UHFFFAOYSA-N 0 3 382.490 0.076 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 ZINC000729051237 1193903731 /nfs/dbraw/zinc/90/37/31/1193903731.db2.gz NYHMNUZNNGRTKG-UHFFFAOYSA-N 0 3 387.488 0.561 20 30 GCEDHN CC[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262768585 1193955453 /nfs/dbraw/zinc/95/54/53/1193955453.db2.gz GTQYAOINCISRER-UHFFFAOYSA-N 0 3 396.513 0.597 20 30 GCEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000421294755 1194324628 /nfs/dbraw/zinc/32/46/28/1194324628.db2.gz HEGOFONBFAZWKH-CQSZACIVSA-N 0 3 384.415 1.374 20 30 GCEDHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000422150447 1194400072 /nfs/dbraw/zinc/40/00/72/1194400072.db2.gz ZPBUUKRSFSZRDO-OALUTQOASA-N 0 3 383.496 0.776 20 30 GCEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503640645 1194702856 /nfs/dbraw/zinc/70/28/56/1194702856.db2.gz BSNSCXUSHMHIEZ-UHFFFAOYSA-N 0 3 383.452 0.572 20 30 GCEDHN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000423612306 1194773550 /nfs/dbraw/zinc/77/35/50/1194773550.db2.gz PCOCJLVBXACQHI-UHFFFAOYSA-N 0 3 398.423 0.277 20 30 GCEDHN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424101261 1194801538 /nfs/dbraw/zinc/80/15/38/1194801538.db2.gz YIIJGQQUFAWFRJ-MRXNPFEDSA-N 0 3 385.534 0.661 20 30 GCEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000424171936 1194804684 /nfs/dbraw/zinc/80/46/84/1194804684.db2.gz KASNZCMNHLMJAL-HOTGVXAUSA-N 0 3 387.488 0.419 20 30 GCEDHN COCCN1CC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000505526255 1194871135 /nfs/dbraw/zinc/87/11/35/1194871135.db2.gz BFGIAGKROOJOLL-NVXWUHKLSA-N 0 3 399.451 0.600 20 30 GCEDHN COCCN(C)CCN1C[C@@H](NC(=O)Cc2c(F)cccc2C#N)CC1=O ZINC000425317172 1194909590 /nfs/dbraw/zinc/90/95/90/1194909590.db2.gz MUBQKDOZOJOFTQ-HNNXBMFYSA-N 0 3 376.432 0.535 20 30 GCEDHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1=O ZINC000425319499 1194910622 /nfs/dbraw/zinc/91/06/22/1194910622.db2.gz QCHNVEKTWJMEMQ-MOPGFXCFSA-N 0 3 397.479 0.536 20 30 GCEDHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1=O ZINC000425319512 1194910828 /nfs/dbraw/zinc/91/08/28/1194910828.db2.gz QCHNVEKTWJMEMQ-OALUTQOASA-N 0 3 397.479 0.536 20 30 GCEDHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)[C@@H]2C1 ZINC000425369969 1194927955 /nfs/dbraw/zinc/92/79/55/1194927955.db2.gz BSSNBUBXSRBAPB-DLBZAZTESA-N 0 3 382.468 0.154 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NC)nc(NC[C@@H]2CCO[C@@H]2C(=C)C)n1 ZINC000435601885 1194947772 /nfs/dbraw/zinc/94/77/72/1194947772.db2.gz AAIQQLAJOAMJLE-ZYGGUILKSA-N 0 3 388.516 0.965 20 30 GCEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)n2)c(F)c1 ZINC000516195031 1195030415 /nfs/dbraw/zinc/03/04/15/1195030415.db2.gz IBFZQYXKTYDDCQ-GXTWGEPZSA-N 0 3 383.387 0.659 20 30 GCEDHN CCn1ccnc1CNC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CS)NC(C)=O ZINC001270180294 1195077790 /nfs/dbraw/zinc/07/77/90/1195077790.db2.gz UFXMOZKJAAEJND-UYTSQGDYSA-N 0 3 379.530 0.949 20 30 GCEDHN N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)CC2)nc1 ZINC000516629552 1195078611 /nfs/dbraw/zinc/07/86/11/1195078611.db2.gz FJBFKVAAKMHXQJ-SFHVURJKSA-N 0 3 396.495 0.689 20 30 GCEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000439212631 1195297575 /nfs/dbraw/zinc/29/75/75/1195297575.db2.gz HFQQJAMUHKVHPC-UHFFFAOYSA-N 0 3 384.415 1.376 20 30 GCEDHN COCCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000518606926 1195309378 /nfs/dbraw/zinc/30/93/78/1195309378.db2.gz MKRSPCXXFZPMHG-OAHLLOKOSA-N 0 3 380.470 0.016 20 30 GCEDHN Cc1cc(C(C#N)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)nc(C)n1 ZINC000439555668 1195330050 /nfs/dbraw/zinc/33/00/50/1195330050.db2.gz GCFBAYIXRHSMHF-GFCCVEGCSA-N 0 3 378.392 0.838 20 30 GCEDHN N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000519425353 1195405404 /nfs/dbraw/zinc/40/54/04/1195405404.db2.gz NUNAOTOUNMIVKS-CYBMUJFWSA-N 0 3 398.510 0.251 20 30 GCEDHN N#CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000519425354 1195405487 /nfs/dbraw/zinc/40/54/87/1195405487.db2.gz NUNAOTOUNMIVKS-ZDUSSCGKSA-N 0 3 398.510 0.251 20 30 GCEDHN CN(C)C(=O)CCN1CCC(NCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000519594402 1195500441 /nfs/dbraw/zinc/50/04/41/1195500441.db2.gz AZRPWXRWXAAINM-UHFFFAOYSA-N 0 3 392.525 0.864 20 30 GCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1=O ZINC000520259352 1195611093 /nfs/dbraw/zinc/61/10/93/1195611093.db2.gz DCKCKQJYWLYXQA-QZTJIDSGSA-N 0 3 386.496 0.521 20 30 GCEDHN NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000328687149 1195660785 /nfs/dbraw/zinc/66/07/85/1195660785.db2.gz YUVCFERQZMNZRG-IAGOWNOFSA-N 0 3 396.513 0.554 20 30 GCEDHN NS(=O)(=O)[C@@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000328687148 1195661062 /nfs/dbraw/zinc/66/10/62/1195661062.db2.gz YUVCFERQZMNZRG-DLBZAZTESA-N 0 3 396.513 0.554 20 30 GCEDHN COCCN1CCC(NC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CC1 ZINC000328799700 1195668142 /nfs/dbraw/zinc/66/81/42/1195668142.db2.gz HLTSWNUXGFIUNU-UHFFFAOYSA-N 0 3 395.548 0.497 20 30 GCEDHN CC(C)(C)CCN1CCN(CC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000330498976 1195692435 /nfs/dbraw/zinc/69/24/35/1195692435.db2.gz FMFSDFFTIHYZDE-AWEZNQCLSA-N 0 3 388.534 0.258 20 30 GCEDHN CS[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@H]1N(C)C ZINC000330660647 1195699532 /nfs/dbraw/zinc/69/95/32/1195699532.db2.gz QVGMGSMNCHANMP-GJZGRUSLSA-N 0 3 396.538 0.915 20 30 GCEDHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1 ZINC000330991996 1195716550 /nfs/dbraw/zinc/71/65/50/1195716550.db2.gz BEHYVLMEUVWBIJ-AWEZNQCLSA-N 0 3 383.518 0.663 20 30 GCEDHN C[C@H](CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1)CN1CCN(C)CC1 ZINC000266850028 1195757778 /nfs/dbraw/zinc/75/77/78/1195757778.db2.gz WXACLACXWKRICM-QGZVFWFLSA-N 0 3 385.516 0.668 20 30 GCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000091589631 1195770138 /nfs/dbraw/zinc/77/01/38/1195770138.db2.gz FYMYCPCZZKTHFD-RBUKOAKNSA-N 0 3 377.533 0.333 20 30 GCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000091589632 1195770277 /nfs/dbraw/zinc/77/02/77/1195770277.db2.gz FYMYCPCZZKTHFD-OALUTQOASA-N 0 3 377.533 0.333 20 30 GCEDHN C[C@@H](CNC(=O)N1CCN(c2cnccc2C#N)CC1)CN1CCN(C)CC1 ZINC000574817621 1195815941 /nfs/dbraw/zinc/81/59/41/1195815941.db2.gz NRUGMDLRMATZEU-KRWDZBQOSA-N 0 3 385.516 0.668 20 30 GCEDHN C#CCN1CCC(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000984075659 1195858697 /nfs/dbraw/zinc/85/86/97/1195858697.db2.gz BDCMSPZDTBEQIB-SPUZQDLCSA-N 0 3 388.512 0.196 20 30 GCEDHN CCOC(=O)c1c(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)c(C#N)cn1CC ZINC000521992137 1196032981 /nfs/dbraw/zinc/03/29/81/1196032981.db2.gz HZELWKNISXSTEG-CYBMUJFWSA-N 0 3 389.456 0.953 20 30 GCEDHN C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)CN2CCC(C)CC2)c1 ZINC000443285637 1196033972 /nfs/dbraw/zinc/03/39/72/1196033972.db2.gz FMJGQNLUUZZKON-KRWDZBQOSA-N 0 3 395.525 0.974 20 30 GCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1=O ZINC000522248726 1196066369 /nfs/dbraw/zinc/06/63/69/1196066369.db2.gz DNTVCKFHYVJTHW-GDBMZVCRSA-N 0 3 384.436 0.915 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H]1CC ZINC001087758765 1196074298 /nfs/dbraw/zinc/07/42/98/1196074298.db2.gz LBRLUZKEJOJEQH-CUSZFKRNSA-N 0 3 392.500 0.879 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550580654 1196093366 /nfs/dbraw/zinc/09/33/66/1196093366.db2.gz IPTSYSDWWGQWOY-HOTGVXAUSA-N 0 3 380.533 0.757 20 30 GCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(CC)CC2)cc1 ZINC000106173320 1196097949 /nfs/dbraw/zinc/09/79/49/1196097949.db2.gz JEKUSBKUMPQRLP-UHFFFAOYSA-N 0 3 394.541 0.908 20 30 GCEDHN C#CCNC(=O)CN1CCN(C(=O)[C@@H](NC(C)C)c2ccc(OC)cc2)CC1 ZINC000896152329 1196130237 /nfs/dbraw/zinc/13/02/37/1196130237.db2.gz LEOULJGLSDISKB-FQEVSTJZSA-N 0 3 386.496 0.628 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000329094292 1196163191 /nfs/dbraw/zinc/16/31/91/1196163191.db2.gz BFEOLWUEJWKVFE-GPMSIDNRSA-N 0 3 380.489 0.477 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000329094296 1196163336 /nfs/dbraw/zinc/16/33/36/1196163336.db2.gz BFEOLWUEJWKVFE-MDZRGWNJSA-N 0 3 380.489 0.477 20 30 GCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)C1=O ZINC000520259351 1196174556 /nfs/dbraw/zinc/17/45/56/1196174556.db2.gz DCKCKQJYWLYXQA-MSOLQXFVSA-N 0 3 386.496 0.521 20 30 GCEDHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnc2ccccn21 ZINC000329204513 1196175503 /nfs/dbraw/zinc/17/55/03/1196175503.db2.gz WRXIJIZVVJBMNA-OAHLLOKOSA-N 0 3 385.472 0.944 20 30 GCEDHN NS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@H]3CCN(C4CC4)C3)CC2)cc1 ZINC000329303134 1196183634 /nfs/dbraw/zinc/18/36/34/1196183634.db2.gz NTKMVTCSXATPKM-AWEZNQCLSA-N 0 3 393.513 0.607 20 30 GCEDHN O=C(C1CCC1)N1CCN(CCNC([O-])=[NH+]C[C@H]2CCc3nccn3C2)CC1 ZINC000329898221 1196237033 /nfs/dbraw/zinc/23/70/33/1196237033.db2.gz LZDSLLHGGVYOSL-MRXNPFEDSA-N 0 3 388.516 0.893 20 30 GCEDHN O=C(C1CCC1)N1CCN(CC[NH+]=C([O-])NC[C@H]2CCc3nccn3C2)CC1 ZINC000329898221 1196237036 /nfs/dbraw/zinc/23/70/36/1196237036.db2.gz LZDSLLHGGVYOSL-MRXNPFEDSA-N 0 3 388.516 0.893 20 30 GCEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000329935613 1196240590 /nfs/dbraw/zinc/24/05/90/1196240590.db2.gz CPZONEVVEPYQNI-BPUTZDHNSA-N 0 3 383.514 0.995 20 30 GCEDHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CC1 ZINC000329955267 1196242246 /nfs/dbraw/zinc/24/22/46/1196242246.db2.gz KPWPBXGHUPJALK-QZTJIDSGSA-N 0 3 391.564 0.896 20 30 GCEDHN COCCOc1ncccc1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330136551 1196255206 /nfs/dbraw/zinc/25/52/06/1196255206.db2.gz UFNJKHAVEOKYHF-MRXNPFEDSA-N 0 3 391.472 0.891 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000330139947 1196255895 /nfs/dbraw/zinc/25/58/95/1196255895.db2.gz PGBYKEHZRWDEGR-HUUCEWRRSA-N 0 3 379.505 0.538 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330222613 1196260343 /nfs/dbraw/zinc/26/03/43/1196260343.db2.gz MOSDOWBSQMJANO-DLBZAZTESA-N 0 3 394.516 0.867 20 30 GCEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000330249948 1196261501 /nfs/dbraw/zinc/26/15/01/1196261501.db2.gz GNSTUZAVBIHJFI-GDBMZVCRSA-N 0 3 388.534 0.510 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281845439 1196340160 /nfs/dbraw/zinc/34/01/60/1196340160.db2.gz UBJOKHLEVLRCKD-UHFFFAOYSA-N 0 3 392.525 0.354 20 30 GCEDHN C=C[C@@](C)(O)C(=O)N(C)CCN(CCN1CCCCC1)C(=O)[C@](C)(O)C=C ZINC000614735057 1196408956 /nfs/dbraw/zinc/40/89/56/1196408956.db2.gz QUBGNJCBJORJCC-WOJBJXKFSA-N 0 3 381.517 0.633 20 30 GCEDHN Cn1cc(C(N)=O)cc1C(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000447239229 1196701490 /nfs/dbraw/zinc/70/14/90/1196701490.db2.gz ROXPWUXFCNZYSL-GFCCVEGCSA-N 0 3 376.380 0.547 20 30 GCEDHN CN(C)Cc1cccc(NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 ZINC000527338876 1196781057 /nfs/dbraw/zinc/78/10/57/1196781057.db2.gz LTOIZDZGAUKQNO-UHFFFAOYSA-N 0 3 383.456 0.955 20 30 GCEDHN CN(CC#CCN1C(=O)c2ccccc2C1=O)C1CCN(S(C)(=O)=O)CC1 ZINC000528405644 1196857002 /nfs/dbraw/zinc/85/70/02/1196857002.db2.gz UFQFDFHLXJFSJX-UHFFFAOYSA-N 0 3 389.477 0.642 20 30 GCEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)N2CCOCC2)CC1 ZINC000528528052 1196865656 /nfs/dbraw/zinc/86/56/56/1196865656.db2.gz RPMCPMMOMFEUEO-SFHVURJKSA-N 0 3 388.468 0.804 20 30 GCEDHN C=CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262008143 1197522056 /nfs/dbraw/zinc/52/20/56/1197522056.db2.gz FFQCAUURBMIISZ-KDOFPFPSSA-N 0 3 385.472 0.837 20 30 GCEDHN C=CCN1CCC(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)CC1 ZINC000272415784 1197561746 /nfs/dbraw/zinc/56/17/46/1197561746.db2.gz JKAMHOAKUAHMPX-QAPCUYQASA-N 0 3 395.525 0.789 20 30 GCEDHN C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000542826535 1199067581 /nfs/dbraw/zinc/06/75/81/1199067581.db2.gz KNWLEJIQLJGXKX-AWEZNQCLSA-N 0 3 376.482 0.945 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@]2(F)CCOC2)CC1 ZINC001003363207 1199510787 /nfs/dbraw/zinc/51/07/87/1199510787.db2.gz NSOGALIQHAZPDL-WWNBULGVSA-N 0 3 377.460 0.708 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)[C@H]3CC[C@@H](C)C3)CC2)o1 ZINC000329808625 1199849374 /nfs/dbraw/zinc/84/93/74/1199849374.db2.gz BVOKSNNMVMPBNB-ZBFHGGJFSA-N 0 3 375.473 0.986 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)[C@@H]3CC[C@@H](C)C3)CC2)o1 ZINC000329808621 1199849539 /nfs/dbraw/zinc/84/95/39/1199849539.db2.gz BVOKSNNMVMPBNB-GDBMZVCRSA-N 0 3 375.473 0.986 20 30 GCEDHN CCCCCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129262903 1200593503 /nfs/dbraw/zinc/59/35/03/1200593503.db2.gz VPDMNVCHLDQRBK-LTIDMASMSA-N 0 3 392.504 0.623 20 30 GCEDHN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)n2)cc1 ZINC000610531480 1200694192 /nfs/dbraw/zinc/69/41/92/1200694192.db2.gz WURREJRVZVOMIX-QGZVFWFLSA-N 0 3 393.451 0.737 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001079720943 1201255004 /nfs/dbraw/zinc/25/50/04/1201255004.db2.gz CLSUTZCKNNYOOX-FPCVCCKLSA-N 0 3 378.473 0.346 20 30 GCEDHN CCCC(=O)NCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729888159 1201417522 /nfs/dbraw/zinc/41/75/22/1201417522.db2.gz IKBZDSWYASPORP-JTQLQIEISA-N 0 3 390.352 0.930 20 30 GCEDHN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909006 1201568300 /nfs/dbraw/zinc/56/83/00/1201568300.db2.gz VKDSZMXPHFXVHL-CXAGYDPISA-N 0 3 390.461 0.908 20 30 GCEDHN CC(C)(C)OC(=O)NCCCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910302 1201568580 /nfs/dbraw/zinc/56/85/80/1201568580.db2.gz OGCMAVAFDNIRJK-LBPRGKRZSA-N 0 3 387.458 0.257 20 30 GCEDHN CC(C)(C)c1noc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)n1 ZINC000732911029 1201569226 /nfs/dbraw/zinc/56/92/26/1201569226.db2.gz XHTHXEGINBVWHG-LBPRGKRZSA-N 0 3 396.469 0.656 20 30 GCEDHN N#CC(C(=O)CCCOc1cccc(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910425 1201569291 /nfs/dbraw/zinc/56/92/91/1201569291.db2.gz PTUGIRVRKDYZGT-HNNXBMFYSA-N 0 3 382.413 0.951 20 30 GCEDHN N#CC(C(=O)CCCOCCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909995 1201569542 /nfs/dbraw/zinc/56/95/42/1201569542.db2.gz ITGMKXYQNFIEQJ-QGZVFWFLSA-N 0 3 392.477 0.992 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H](C)C2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC001006241134 1201661449 /nfs/dbraw/zinc/66/14/49/1201661449.db2.gz IMVFBPIKYYKPEW-GIRNWQOFSA-N 0 3 385.508 0.718 20 30 GCEDHN N#CC(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)NC1CCCC1 ZINC000766265349 1201762067 /nfs/dbraw/zinc/76/20/67/1201762067.db2.gz UIYNPJUKZPJOSC-INIZCTEOSA-N 0 3 398.467 0.673 20 30 GCEDHN C#CCN1CCC(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)CC1 ZINC000742309673 1201794790 /nfs/dbraw/zinc/79/47/90/1201794790.db2.gz HTYZHYQNAJLNAJ-UHFFFAOYSA-N 0 3 393.465 0.422 20 30 GCEDHN CN1CCN(c2ccncc2NC(=O)CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000746158276 1201902057 /nfs/dbraw/zinc/90/20/57/1201902057.db2.gz DDMURKSBWZTXBP-HNENSFHCSA-N 0 3 384.440 0.688 20 30 GCEDHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000746344427 1201911772 /nfs/dbraw/zinc/91/17/72/1201911772.db2.gz LHGICMICBAMBLB-HNNXBMFYSA-N 0 3 390.509 0.915 20 30 GCEDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000746344427 1201911775 /nfs/dbraw/zinc/91/17/75/1201911775.db2.gz LHGICMICBAMBLB-HNNXBMFYSA-N 0 3 390.509 0.915 20 30 GCEDHN CN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC#N)c3)cc2)CC1 ZINC000746365358 1201914167 /nfs/dbraw/zinc/91/41/67/1201914167.db2.gz OFUCQWSWWRZESM-UHFFFAOYSA-N 0 3 395.467 0.409 20 30 GCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)N(C)C)C2 ZINC001109402110 1202038533 /nfs/dbraw/zinc/03/85/33/1202038533.db2.gz IEPLTJJHJBEKHG-VUHPKUFZSA-N 0 3 375.517 0.810 20 30 GCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC[C@H](C)C1)C2 ZINC001109718807 1202111425 /nfs/dbraw/zinc/11/14/25/1202111425.db2.gz LDQYWLXIWBCSBD-MHORFTMASA-N 0 3 375.517 0.812 20 30 GCEDHN CN(CCC#N)C(=O)CCN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000771454473 1202141189 /nfs/dbraw/zinc/14/11/89/1202141189.db2.gz LXYGRWVUOPRBGS-UHFFFAOYSA-N 0 3 393.513 0.942 20 30 GCEDHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)C(C#N)C(=O)NC2CC2)C1=O ZINC000771581335 1202147907 /nfs/dbraw/zinc/14/79/07/1202147907.db2.gz AGFPHJVYRKBFCG-BUXKBTBVSA-N 0 3 384.392 0.450 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)C(=O)NCCNc2ccc(C#N)cn2)CCSC1 ZINC000788250786 1205417385 /nfs/dbraw/zinc/41/73/85/1205417385.db2.gz IWLFRMKFJXFJCM-QGZVFWFLSA-N 0 3 376.486 0.035 20 30 GCEDHN CN(C)Cc1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000788422039 1205422195 /nfs/dbraw/zinc/42/21/95/1205422195.db2.gz PTBIJHVIMHIGHO-WUKNDPDISA-N 0 3 378.454 0.553 20 30 GCEDHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cnn(CC#N)c2)c1 ZINC000792398473 1205487099 /nfs/dbraw/zinc/48/70/99/1205487099.db2.gz YRLONJNEKPKRGM-UHFFFAOYSA-N 0 3 384.440 0.944 20 30 GCEDHN C#CCNc1nc(N2C[C@@H](C)N(C)C[C@@H]2C)nc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000804588736 1205518518 /nfs/dbraw/zinc/51/85/18/1205518518.db2.gz PRIDGQFKAPRVKL-YVSFHVDLSA-N 0 3 386.548 0.396 20 30 GCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@@H]1n1ccnn1 ZINC001129930420 1205525711 /nfs/dbraw/zinc/52/57/11/1205525711.db2.gz GTTGAAGPOIUNDX-MANSERQUSA-N 0 3 389.500 0.885 20 30 GCEDHN C#CCNc1nc(N2CCN(CC)C[C@H]2C)nc(N2CCN(CC)C[C@@H]2C)n1 ZINC000804793950 1205525830 /nfs/dbraw/zinc/52/58/30/1205525830.db2.gz ADXTYPIQNLGVKO-CALCHBBNSA-N 0 3 386.548 0.399 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000804891475 1205527599 /nfs/dbraw/zinc/52/75/99/1205527599.db2.gz MZPYJVOOLFROTI-CQSZACIVSA-N 0 3 380.489 0.736 20 30 GCEDHN C=C(Cl)CNC[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001130209621 1205536559 /nfs/dbraw/zinc/53/65/59/1205536559.db2.gz HPSQQGAZVAJPFW-MRHIQRDNSA-N 0 3 381.864 0.672 20 30 GCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2CC)[n-]1 ZINC001130229761 1205538748 /nfs/dbraw/zinc/53/87/48/1205538748.db2.gz DPPRSPZNQHBUQW-FZKCQIBNSA-N 0 3 375.473 0.721 20 30 GCEDHN C=CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2CC)[n-]1 ZINC001130238011 1205539114 /nfs/dbraw/zinc/53/91/14/1205539114.db2.gz OEVUWCCYBMSQMN-BARDWOONSA-N 0 3 390.488 0.231 20 30 GCEDHN C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccncc1 ZINC000805806615 1205544566 /nfs/dbraw/zinc/54/45/66/1205544566.db2.gz RWOBKEYIWLOABP-ZWKOTPCHSA-N 0 3 399.495 0.580 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806651165 1205560408 /nfs/dbraw/zinc/56/04/08/1205560408.db2.gz DDWWDTVETHMXQY-UHFFFAOYSA-N 0 3 388.468 0.716 20 30 GCEDHN CC[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131535482 1205618024 /nfs/dbraw/zinc/61/80/24/1205618024.db2.gz FQCXFPBSRIYINL-VXNCWWDNSA-N 0 3 392.500 0.427 20 30 GCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001131570139 1205618361 /nfs/dbraw/zinc/61/83/61/1205618361.db2.gz CPTHTYYMAWSUKQ-KLBVCGFUSA-N 0 3 389.496 0.289 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC2CC2)CC1 ZINC001131567237 1205618404 /nfs/dbraw/zinc/61/84/04/1205618404.db2.gz GBBYEBNLUJELPC-XSYGEPLQSA-N 0 3 391.512 0.842 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131567640 1205618570 /nfs/dbraw/zinc/61/85/70/1205618570.db2.gz LXANDVJERPYOLA-VXNCWWDNSA-N 0 3 390.484 0.203 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000815083014 1205697990 /nfs/dbraw/zinc/69/79/90/1205697990.db2.gz KTUGQULZHAFVJC-UHFFFAOYSA-N 0 3 399.538 0.705 20 30 GCEDHN COC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983047 1205718189 /nfs/dbraw/zinc/71/81/89/1205718189.db2.gz HNOMQLAVDDIFBT-XUXIUFHCSA-N 0 3 382.461 0.934 20 30 GCEDHN COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)CCN1C(=O)c1ccccc1 ZINC001173495788 1205721384 /nfs/dbraw/zinc/72/13/84/1205721384.db2.gz NCXLGGMYDWKXCU-HNKHHVNMSA-N 0 3 375.425 0.659 20 30 GCEDHN CN(C)CCN1CCN(C)C2(CCN(C(=O)C#Cc3cccnc3)CC2)C1=O ZINC001177776944 1205775325 /nfs/dbraw/zinc/77/53/25/1205775325.db2.gz IIZZUXSDTBWFSG-UHFFFAOYSA-N 0 3 383.496 0.130 20 30 GCEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179224450 1205806446 /nfs/dbraw/zinc/80/64/46/1205806446.db2.gz KEIGXTBKIRIUBX-HOCLYGCPSA-N 0 3 392.500 0.879 20 30 GCEDHN CN1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O ZINC000773982354 1205857628 /nfs/dbraw/zinc/85/76/28/1205857628.db2.gz GWSNXIXCLVKTJD-VHSXEESVSA-N 0 3 388.336 0.492 20 30 GCEDHN CN(C)CCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CCC1=O ZINC001190959783 1206050666 /nfs/dbraw/zinc/05/06/66/1206050666.db2.gz TVZNRDGZUMWVRW-UHFFFAOYSA-N 0 3 384.889 0.996 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573286136 946797156 /nfs/dbraw/zinc/79/71/56/946797156.db2.gz UQWCMRXPZSZECL-IIYDPXPESA-N 0 3 386.431 0.981 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573286136 946797160 /nfs/dbraw/zinc/79/71/60/946797160.db2.gz UQWCMRXPZSZECL-IIYDPXPESA-N 0 3 386.431 0.981 20 30 GCEDHN C#CCOCCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573287238 946833455 /nfs/dbraw/zinc/83/34/55/946833455.db2.gz MLLNCJFYNFLERJ-CQSZACIVSA-N 0 3 386.431 0.984 20 30 GCEDHN C#CCOCCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573287238 946833466 /nfs/dbraw/zinc/83/34/66/946833466.db2.gz MLLNCJFYNFLERJ-CQSZACIVSA-N 0 3 386.431 0.984 20 30 GCEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561821 946966627 /nfs/dbraw/zinc/96/66/27/946966627.db2.gz NRLHQOXMYTYUJC-AAEUAGOBSA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561821 946966638 /nfs/dbraw/zinc/96/66/38/946966638.db2.gz NRLHQOXMYTYUJC-AAEUAGOBSA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573568082 947065725 /nfs/dbraw/zinc/06/57/25/947065725.db2.gz XGZAVHMSLVUXQT-OCCSQVGLSA-N 0 3 387.419 0.873 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001573571064 947098853 /nfs/dbraw/zinc/09/88/53/947098853.db2.gz YDZRZZRIJQBBDS-UONOGXRCSA-N 0 3 381.444 0.144 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001573571062 947099728 /nfs/dbraw/zinc/09/97/28/947099728.db2.gz YDZRZZRIJQBBDS-KBPBESRZSA-N 0 3 381.444 0.144 20 30 GCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOCC1 ZINC001573572092 947108080 /nfs/dbraw/zinc/10/80/80/947108080.db2.gz FBUFFHGTELOFBY-GFCCVEGCSA-N 0 3 387.419 0.920 20 30 GCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOCC1 ZINC001573573375 947121071 /nfs/dbraw/zinc/12/10/71/947121071.db2.gz MZVJHQRNOLZGAY-GFCCVEGCSA-N 0 3 387.419 0.920 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335667 947484454 /nfs/dbraw/zinc/48/44/54/947484454.db2.gz SBCIOPLABYSHDD-ZDUSSCGKSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335667 947484460 /nfs/dbraw/zinc/48/44/60/947484460.db2.gz SBCIOPLABYSHDD-ZDUSSCGKSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001573350593 947598336 /nfs/dbraw/zinc/59/83/36/947598336.db2.gz HERRCSRSUCQABI-CYBMUJFWSA-N 0 3 381.444 0.800 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001573350593 947598344 /nfs/dbraw/zinc/59/83/44/947598344.db2.gz HERRCSRSUCQABI-CYBMUJFWSA-N 0 3 381.444 0.800 20 30 GCEDHN COCCN(CCC#N)S(=O)(=O)N1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000409508590 530229774 /nfs/dbraw/zinc/22/97/74/530229774.db2.gz SEXYEDPDJLMROP-GJZGRUSLSA-N 0 3 376.548 0.605 20 30 GCEDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000550435718 530248093 /nfs/dbraw/zinc/24/80/93/530248093.db2.gz RZWIDKJBKAPFKE-ZDUSSCGKSA-N 0 3 376.276 0.912 20 30 GCEDHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000582332092 530327518 /nfs/dbraw/zinc/32/75/18/530327518.db2.gz UBTOBRJHEPDZBG-LSDHHAIUSA-N 0 3 382.511 0.341 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCSC1 ZINC000290401466 530364395 /nfs/dbraw/zinc/36/43/95/530364395.db2.gz OSKULBZAOFUAQI-MRXNPFEDSA-N 0 3 382.511 0.390 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1Br ZINC000583154447 530334348 /nfs/dbraw/zinc/33/43/48/530334348.db2.gz BMKYIOPBFFTCBP-GWCFXTLKSA-N 0 3 399.270 0.253 20 30 GCEDHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000291498354 530492863 /nfs/dbraw/zinc/49/28/63/530492863.db2.gz RVDDXSZGVTVLLT-CABCVRRESA-N 0 3 382.511 0.341 20 30 GCEDHN CCS(=O)(=O)N1CCN(C(=O)NC2CCN(CCCOC)CC2)CC1 ZINC000330435099 530519123 /nfs/dbraw/zinc/51/91/23/530519123.db2.gz AEJAZVKAXPYHBG-UHFFFAOYSA-N 0 3 376.523 0.369 20 30 GCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000330898769 530532915 /nfs/dbraw/zinc/53/29/15/530532915.db2.gz NDPRGRRRUZAHCP-OAHLLOKOSA-N 0 3 376.523 0.367 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000293794036 530567010 /nfs/dbraw/zinc/56/70/10/530567010.db2.gz MURDCIQVTMANTD-UHFFFAOYSA-N 0 3 385.511 0.361 20 30 GCEDHN CC[C@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000520428312 530612458 /nfs/dbraw/zinc/61/24/58/530612458.db2.gz QKBZRLILFGCJRN-ZDUSSCGKSA-N 0 3 388.515 0.497 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2)[C@@H]1C ZINC000349487394 530652786 /nfs/dbraw/zinc/65/27/86/530652786.db2.gz XMIAYBOAFSSOPS-KKUMJFAQSA-N 0 3 392.547 0.096 20 30 GCEDHN CC(C)N(C)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000578643004 530734167 /nfs/dbraw/zinc/73/41/67/530734167.db2.gz JVATXVQDGHGTLH-ZDUSSCGKSA-N 0 3 388.515 0.495 20 30 GCEDHN CN(C)[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H]1O ZINC000594359191 530857936 /nfs/dbraw/zinc/85/79/36/530857936.db2.gz WWMKJWQGRMZMQF-HOTGVXAUSA-N 0 3 393.285 0.890 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000427942929 530896817 /nfs/dbraw/zinc/89/68/17/530896817.db2.gz AJFBITSVBKUBDD-CYBMUJFWSA-N 0 3 380.367 0.812 20 30 GCEDHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)CC1 ZINC000293353279 530929275 /nfs/dbraw/zinc/92/92/75/530929275.db2.gz JNQQUWCQDNZWPI-UHFFFAOYSA-N 0 3 395.257 0.832 20 30 GCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000267053383 531004713 /nfs/dbraw/zinc/00/47/13/531004713.db2.gz AGTAZRNNRMCUBC-KRWDZBQOSA-N 0 3 381.523 0.765 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000267149923 531004843 /nfs/dbraw/zinc/00/48/43/531004843.db2.gz WOSJQNZDSQHFRF-KRWDZBQOSA-N 0 3 381.523 0.765 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1 ZINC000566486357 531199085 /nfs/dbraw/zinc/19/90/85/531199085.db2.gz FRBZSYUDWPBSLN-STQMWFEESA-N 0 3 386.499 0.107 20 30 GCEDHN C#CCN1CCC(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000171997350 639636037 /nfs/dbraw/zinc/63/60/37/639636037.db2.gz PSWGDPIYIUNZQJ-UHFFFAOYSA-N 0 3 377.457 0.712 20 30 GCEDHN Cc1cc(Cl)ccc1OCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910602 639815193 /nfs/dbraw/zinc/81/51/93/639815193.db2.gz SDKKNWGGWYKYHT-CYBMUJFWSA-N 0 3 384.841 0.993 20 30 GCEDHN Cc1cc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1Cl ZINC000732909029 639815207 /nfs/dbraw/zinc/81/52/07/639815207.db2.gz WCJZBVLPKXENHS-ZDUSSCGKSA-N 0 3 384.841 0.993 20 30 GCEDHN C#CCN(C)CCCNC(=O)NCc1nn(C)cc1I ZINC000836490934 642250248 /nfs/dbraw/zinc/25/02/48/642250248.db2.gz CFYZTTRTOGDLFJ-UHFFFAOYSA-N 0 3 389.241 0.779 20 30 GCEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652418653 1192219996 /nfs/dbraw/zinc/21/99/96/1192219996.db2.gz DVXXFBUTSDAZOC-UHFFFAOYSA-N 0 3 386.496 0.476 20 30 GCEDHN CN(CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 ZINC000585779750 1192409342 /nfs/dbraw/zinc/40/93/42/1192409342.db2.gz OZUXRIVYKGPJKZ-UHFFFAOYSA-N 0 3 386.456 0.283 20 30 GCEDHN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000418766564 1192640746 /nfs/dbraw/zinc/64/07/46/1192640746.db2.gz NDJUCWWNSDZBOB-CYBMUJFWSA-N 0 3 386.412 0.626 20 30 GCEDHN C#CCN1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000067125639 1192922566 /nfs/dbraw/zinc/92/25/66/1192922566.db2.gz ATCLRFRCNDOGMY-UHFFFAOYSA-N 0 3 391.493 0.991 20 30 GCEDHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000430270044 1184423998 /nfs/dbraw/zinc/42/39/98/1184423998.db2.gz QTERQWAPHGIWHQ-BEFAXECRSA-N 0 3 389.525 0.915 20 30 GCEDHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 ZINC000430270049 1184424197 /nfs/dbraw/zinc/42/41/97/1184424197.db2.gz QTERQWAPHGIWHQ-DNVCBOLYSA-N 0 3 389.525 0.915 20 30 GCEDHN C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000275091784 1184505216 /nfs/dbraw/zinc/50/52/16/1184505216.db2.gz UYLROUXDVNEQEZ-KRWDZBQOSA-N 0 3 398.463 0.402 20 30 GCEDHN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)n2)cc1 ZINC000176999752 1184795121 /nfs/dbraw/zinc/79/51/21/1184795121.db2.gz RNVYNLPHOYVXTQ-QGZVFWFLSA-N 0 3 393.451 0.833 20 30 GCEDHN COCCC(=O)N1CCC(NCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000580185788 1185109805 /nfs/dbraw/zinc/10/98/05/1185109805.db2.gz WRYDWFNBFPRVJI-UHFFFAOYSA-N 0 3 379.482 0.949 20 30 GCEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)CC1 ZINC000891476707 1185885268 /nfs/dbraw/zinc/88/52/68/1185885268.db2.gz UPDMDUNJMLAZSJ-KRWDZBQOSA-N 0 3 393.513 0.084 20 30 GCEDHN C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)CN(C)Cc2ccccc2)c1=O ZINC000588687562 1185952383 /nfs/dbraw/zinc/95/23/83/1185952383.db2.gz MMUPLQWWCVEZJF-QGZVFWFLSA-N 0 3 386.452 0.037 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N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@H](N4CCCC4)C3)CC2)c1 ZINC000584099038 1186998192 /nfs/dbraw/zinc/99/81/92/1186998192.db2.gz LVBKUNGIMOWOEC-QGZVFWFLSA-N 0 3 382.468 0.299 20 30 GCEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000658678163 1187409409 /nfs/dbraw/zinc/40/94/09/1187409409.db2.gz VNZBVXPJGMHDIF-DLBZAZTESA-N 0 3 376.501 0.566 20 30 GCEDHN C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000549264614 1188068334 /nfs/dbraw/zinc/06/83/34/1188068334.db2.gz JEOWYRJKWUZDDV-UHFFFAOYSA-N 0 3 398.515 0.999 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@](CO)(C(C)C)C3)CC2)o1 ZINC000377656013 1188096990 /nfs/dbraw/zinc/09/69/90/1188096990.db2.gz UZAZVVJFWAHYIL-IBGZPJMESA-N 0 3 375.473 0.844 20 30 GCEDHN CN(CCNCC(=O)NCC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001481259239 1189563545 /nfs/dbraw/zinc/56/35/45/1189563545.db2.gz JVKHXCWSWGEXNM-IYWGDAJJSA-N 0 3 381.476 0.626 20 30 GCEDHN C=CCc1cc(CNC(=O)C(=O)NC[C@H]2CNCCO2)cc(OC)c1OC ZINC000419353370 1193849092 /nfs/dbraw/zinc/84/90/92/1193849092.db2.gz CBKOWWDRWVHIGU-OAHLLOKOSA-N 0 3 377.441 0.153 20 30 GCEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000420037140 1194165410 /nfs/dbraw/zinc/16/54/10/1194165410.db2.gz LSKBHVSBIHKSDF-SZMVWBNQSA-N 0 3 399.495 0.452 20 30 GCEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000420044469 1194167654 /nfs/dbraw/zinc/16/76/54/1194167654.db2.gz SZUMUHCNVWVLBJ-NVXWUHKLSA-N 0 3 399.495 0.826 20 30 GCEDHN CCOC(=O)c1c(NC(=O)C(=O)NCCN(C)C2CC2)c(C#N)cn1CC ZINC000421212974 1194306539 /nfs/dbraw/zinc/30/65/39/1194306539.db2.gz KWWUNXHCWHIGHT-UHFFFAOYSA-N 0 3 375.429 0.705 20 30 GCEDHN CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103871 1194386364 /nfs/dbraw/zinc/38/63/64/1194386364.db2.gz OHIXSJDUIYNQOC-GOSISDBHSA-N 0 3 385.468 0.185 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422529821 1194662940 /nfs/dbraw/zinc/66/29/40/1194662940.db2.gz 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CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CCN(C)C(=O)C1 ZINC000425901397 1195160535 /nfs/dbraw/zinc/16/05/35/1195160535.db2.gz GJZCRRLNVCECSR-SFHVURJKSA-N 0 3 399.495 0.433 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)CC1 ZINC000466961201 1195387113 /nfs/dbraw/zinc/38/71/13/1195387113.db2.gz HKSLFFXSBOCSHX-UHFFFAOYSA-N 0 3 394.497 0.788 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000550183789 1195455628 /nfs/dbraw/zinc/45/56/28/1195455628.db2.gz GOIHSTHJGNFSBY-UHFFFAOYSA-N 0 3 387.484 0.301 20 30 GCEDHN CCN(CC)CC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000507571858 1195532617 /nfs/dbraw/zinc/53/26/17/1195532617.db2.gz WJXPYWNOVJLJGG-SFHVURJKSA-N 0 3 397.479 0.676 20 30 GCEDHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C)CN1CCN(C)CC1 ZINC000328893608 1195674615 /nfs/dbraw/zinc/67/46/15/1195674615.db2.gz VCHQYNRRQKOJTK-IIDMSEBBSA-N 0 3 376.505 0.780 20 30 GCEDHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCNC(C)(C)C2)c1 ZINC000331051152 1195718065 /nfs/dbraw/zinc/71/80/65/1195718065.db2.gz YESYORVBFRGHJF-UHFFFAOYSA-N 0 3 382.486 0.452 20 30 GCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000331201944 1195723399 /nfs/dbraw/zinc/72/33/99/1195723399.db2.gz VWKRJZLAMRFAEI-BBWFWOEESA-N 0 3 399.561 0.129 20 30 GCEDHN Cc1ccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)cc1S(N)(=O)=O ZINC000331275568 1195724437 /nfs/dbraw/zinc/72/44/37/1195724437.db2.gz QHJBXJWOLWQQCB-UHFFFAOYSA-N 0 3 383.518 0.994 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3CN(C)C[C@H]3C2)cc1 ZINC000521068140 1195959874 /nfs/dbraw/zinc/95/98/74/1195959874.db2.gz NIWVYLHYTHOHOV-MELADBBJSA-N 0 3 398.510 0.059 20 30 GCEDHN C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)CN2CCC(C)CC2)c1 ZINC000443285640 1196033964 /nfs/dbraw/zinc/03/39/64/1196033964.db2.gz FMJGQNLUUZZKON-QGZVFWFLSA-N 0 3 395.525 0.974 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCN(CCN2C(=O)CNC2=O)[C@@H]1CC ZINC001087576383 1196049604 /nfs/dbraw/zinc/04/96/04/1196049604.db2.gz 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N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000108400333 1199046882 /nfs/dbraw/zinc/04/68/82/1199046882.db2.gz VKOGGZACPYAYTK-UHFFFAOYSA-N 0 3 376.482 0.628 20 30 GCEDHN CN(C)CCN1CC2(CN(C(=O)C#Cc3ccc(Cl)cc3)C2)OCC1=O ZINC001272951977 1199214586 /nfs/dbraw/zinc/21/45/86/1199214586.db2.gz SISOCMIXZRKTET-UHFFFAOYSA-N 0 3 375.856 0.693 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000672355720 1199215459 /nfs/dbraw/zinc/21/54/59/1199215459.db2.gz DDAYSDLKSJRSFQ-KRWDZBQOSA-N 0 3 376.501 0.660 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000672355721 1199215924 /nfs/dbraw/zinc/21/59/24/1199215924.db2.gz DDAYSDLKSJRSFQ-QGZVFWFLSA-N 0 3 376.501 0.660 20 30 GCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c1 ZINC000673517236 1199729877 /nfs/dbraw/zinc/72/98/77/1199729877.db2.gz SFTGQHCILAOFEO-HZPDHXFCSA-N 0 3 379.482 0.432 20 30 GCEDHN CS[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1N(C)C ZINC000329179563 1199835916 /nfs/dbraw/zinc/83/59/16/1199835916.db2.gz DBAYZXHDCPLPRD-HOTGVXAUSA-N 0 3 392.529 0.481 20 30 GCEDHN N#Cc1cc(F)c(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(F)c1 ZINC000125093220 1199869710 /nfs/dbraw/zinc/86/97/10/1199869710.db2.gz CYSRWBWKNBVADO-UHFFFAOYSA-N 0 3 398.435 0.765 20 30 GCEDHN Cc1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1C#N ZINC000133003355 1200039195 /nfs/dbraw/zinc/03/91/95/1200039195.db2.gz BOGCHWSVRAYMBS-UHFFFAOYSA-N 0 3 376.482 0.795 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCC2)C[C@H]1OC ZINC000946819711 1200259569 /nfs/dbraw/zinc/25/95/69/1200259569.db2.gz GLQUQQPBXARVES-WCXIOVBPSA-N 0 3 379.501 0.794 20 30 GCEDHN C=CCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N(C)C)O2)[C@@H](n2ccnn2)C1 ZINC001129262007 1200593409 /nfs/dbraw/zinc/59/34/09/1200593409.db2.gz KZDUYNTZNXXPQK-TWMKSMIVSA-N 0 3 390.488 0.222 20 30 GCEDHN CN(C)C1(CNC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 ZINC000419794288 1200625935 /nfs/dbraw/zinc/62/59/35/1200625935.db2.gz FFNQBAVKGBFSAF-UHFFFAOYSA-N 0 3 386.843 1.546 20 30 GCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923274332 1200918859 /nfs/dbraw/zinc/91/88/59/1200918859.db2.gz LNQPMNIMYDZLPF-BMFZPTHFSA-N 0 3 376.482 0.920 20 30 GCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923275265 1200919236 /nfs/dbraw/zinc/91/92/36/1200919236.db2.gz YSDSXACDWUWBII-BMFZPTHFSA-N 0 3 376.482 0.920 20 30 GCEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000923365216 1200965504 /nfs/dbraw/zinc/96/55/04/1200965504.db2.gz CVXHWALRGSTRDE-QGZVFWFLSA-N 0 3 382.468 0.872 20 30 GCEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000923369350 1200969122 /nfs/dbraw/zinc/96/91/22/1200969122.db2.gz XVVDXXNJXSTOSF-QGZVFWFLSA-N 0 3 382.468 0.872 20 30 GCEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000923369347 1200969246 /nfs/dbraw/zinc/96/92/46/1200969246.db2.gz XVVDXXNJXSTOSF-KRWDZBQOSA-N 0 3 382.468 0.872 20 30 GCEDHN 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ZINC001085037933 1201556319 /nfs/dbraw/zinc/55/63/19/1201556319.db2.gz LOUMDUAFCFCPRF-WCVJEAGWSA-N 0 3 376.457 0.052 20 30 GCEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908445 1201567037 /nfs/dbraw/zinc/56/70/37/1201567037.db2.gz LILBQTDWTZLYPF-IUODEOHRSA-N 0 3 375.406 0.291 20 30 GCEDHN CC(=O)c1cccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732907538 1201567263 /nfs/dbraw/zinc/56/72/63/1201567263.db2.gz ASOCSKHQWDUHOZ-OAHLLOKOSA-N 0 3 378.406 0.234 20 30 GCEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908447 1201567334 /nfs/dbraw/zinc/56/73/34/1201567334.db2.gz LILBQTDWTZLYPF-WFASDCNBSA-N 0 3 375.406 0.291 20 30 GCEDHN Cc1cc(C)c(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)c1 ZINC000732909586 1201567997 /nfs/dbraw/zinc/56/79/97/1201567997.db2.gz DBFCEPVDNHNZNB-HNNXBMFYSA-N 0 3 378.450 0.957 20 30 GCEDHN COc1ccc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732910220 1201569122 /nfs/dbraw/zinc/56/91/22/1201569122.db2.gz LSICCZMLQLXLRO-INIZCTEOSA-N 0 3 378.450 0.984 20 30 GCEDHN CCOc1ccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732910124 1201569167 /nfs/dbraw/zinc/56/91/67/1201569167.db2.gz MNPIENKMUMLNJK-OAHLLOKOSA-N 0 3 380.422 0.430 20 30 GCEDHN N#CC(C(=O)CCCOc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910229 1201569324 /nfs/dbraw/zinc/56/93/24/1201569324.db2.gz MFMYQYGNTHSZOK-HNNXBMFYSA-N 0 3 382.413 0.951 20 30 GCEDHN COc1ccc(COCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732910382 1201569329 /nfs/dbraw/zinc/56/93/29/1201569329.db2.gz PBIOQXMHROHTLU-OAHLLOKOSA-N 0 3 380.422 0.178 20 30 GCEDHN N#CC(C(=O)COc1ccc2c(c1)CCC2)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911122 1201570278 /nfs/dbraw/zinc/57/02/78/1201570278.db2.gz XFNQDUGIVCAEJO-INIZCTEOSA-N 0 3 376.434 0.520 20 30 GCEDHN N#Cc1ccc(OCCCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000734836883 1201664071 /nfs/dbraw/zinc/66/40/71/1201664071.db2.gz HEOUZNZLBXMDLK-ZWKOTPCHSA-N 0 3 379.482 0.415 20 30 GCEDHN Cn1cc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)c(=O)n(C)c1=O ZINC000735206249 1201683543 /nfs/dbraw/zinc/68/35/43/1201683543.db2.gz BRRPSIUWGHJZML-LLVKDONJSA-N 0 3 392.379 0.085 20 30 GCEDHN O=C(CC1(N2CCOCC2)CCCC1)NCCNC(=O)C1N=CC=CC1=O ZINC000746019895 1201895751 /nfs/dbraw/zinc/89/57/51/1201895751.db2.gz AMOSFOWRQSGBDB-ISLYRVAYSA-N 0 3 376.457 0.664 20 30 GCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1 ZINC001109272398 1202010493 /nfs/dbraw/zinc/01/04/93/1202010493.db2.gz HXWNJUGIKOKJCG-NEPXVJNWSA-N 0 3 380.485 0.304 20 30 GCEDHN C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@@H]2CCOC2)nn1 ZINC001109814052 1202129046 /nfs/dbraw/zinc/12/90/46/1202129046.db2.gz JMUSELLFEDDOPJ-CBZIJGRNSA-N 0 3 375.473 0.995 20 30 GCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)CCC)C2 ZINC001110022440 1202175663 /nfs/dbraw/zinc/17/56/63/1202175663.db2.gz XXNNCPOTKGADST-WCVJEAGWSA-N 0 3 379.505 0.450 20 30 GCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000787758679 1205400810 /nfs/dbraw/zinc/40/08/10/1205400810.db2.gz ITAAOTTWFIPZDS-QGZVFWFLSA-N 0 3 384.484 0.958 20 30 GCEDHN Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)c1C#N ZINC000788103095 1205413283 /nfs/dbraw/zinc/41/32/83/1205413283.db2.gz OLWPKSLEQGNPLT-CVEARBPZSA-N 0 3 387.488 0.295 20 30 GCEDHN C#CCNC(=O)CN1CCN(C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000792867756 1205493945 /nfs/dbraw/zinc/49/39/45/1205493945.db2.gz RLDADLYAWXDHQN-OAQYLSRUSA-N 0 3 384.524 0.645 20 30 GCEDHN C#CCNC(=O)CN1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000792867754 1205494021 /nfs/dbraw/zinc/49/40/21/1205494021.db2.gz RLDADLYAWXDHQN-NRFANRHFSA-N 0 3 384.524 0.645 20 30 GCEDHN N#Cc1c(=O)n(CN2CCN(C(=O)CN3CCCC3)CC2)cc2c1CCCC2 ZINC000793498297 1205499996 /nfs/dbraw/zinc/49/99/96/1205499996.db2.gz LUJULOSOBMZKBI-UHFFFAOYSA-N 0 3 383.496 0.796 20 30 GCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H]1n1ccnn1 ZINC001130012188 1205528441 /nfs/dbraw/zinc/52/84/41/1205528441.db2.gz TWOARFOQNHTJHH-KONPQCLYSA-N 0 3 385.472 0.359 20 30 GCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cn(C)cn1 ZINC001130612069 1205555402 /nfs/dbraw/zinc/55/54/02/1205555402.db2.gz PMZYJEYONMRTDV-OAFZBRQQSA-N 0 3 382.468 0.481 20 30 GCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n[n-]2)O1 ZINC001130792677 1205571332 /nfs/dbraw/zinc/57/13/32/1205571332.db2.gz RESSFOCCBQYLCA-CQZDKXCPSA-N 0 3 385.468 0.677 20 30 GCEDHN CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)n2)O1 ZINC001130792677 1205571334 /nfs/dbraw/zinc/57/13/34/1205571334.db2.gz RESSFOCCBQYLCA-CQZDKXCPSA-N 0 3 385.468 0.677 20 30 GCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)n[n-]2)O1 ZINC001130806858 1205572142 /nfs/dbraw/zinc/57/21/42/1205572142.db2.gz LWNDBHNDMNNUJO-CAOSSQGBSA-N 0 3 383.456 0.401 20 30 GCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)n2)O1 ZINC001130806858 1205572143 /nfs/dbraw/zinc/57/21/43/1205572143.db2.gz LWNDBHNDMNNUJO-CAOSSQGBSA-N 0 3 383.456 0.401 20 30 GCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1cncn1C ZINC001131015525 1205587851 /nfs/dbraw/zinc/58/78/51/1205587851.db2.gz ZNJHMYNZUYZCFW-YFHUEUNASA-N 0 3 382.468 0.481 20 30 GCEDHN CN(C)CCN1c2ccccc2C(=NNC(=S)NC[C@@H]2CCCO2)C1=O ZINC000807948484 1205595055 /nfs/dbraw/zinc/59/50/55/1205595055.db2.gz JWGXUFFDNZYPDM-ZDUSSCGKSA-N 0 3 375.498 0.942 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCCO1 ZINC000808900572 1205613498 /nfs/dbraw/zinc/61/34/98/1205613498.db2.gz UCVKINOCRUQJRM-HSALFYBXSA-N 0 3 399.491 0.691 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1)[C@H]1CCCO1 ZINC000809308247 1205621713 /nfs/dbraw/zinc/62/17/13/1205621713.db2.gz GWJSCSVDIQYQGL-RBUKOAKNSA-N 0 3 387.480 0.882 20 30 GCEDHN Cn1c2[nH]c(CCC(=O)C(C#N)C(=O)NC3CCCCC3)nc2c(=O)[nH]c1=O ZINC000747801254 1205666905 /nfs/dbraw/zinc/66/69/05/1205666905.db2.gz BLNCXOYKGAKHLL-LLVKDONJSA-N 0 3 386.412 0.453 20 30 GCEDHN C#CCNC(=O)C1CCN(C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000747816467 1205668612 /nfs/dbraw/zinc/66/86/12/1205668612.db2.gz GESZMOOCTHIVNV-MRXNPFEDSA-N 0 3 376.453 0.905 20 30 GCEDHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H](C)Cc1ccc(C#N)cc1 ZINC001172303947 1205715520 /nfs/dbraw/zinc/71/55/20/1205715520.db2.gz GPWBJQQEOZKUFH-QPSCCSFWSA-N 0 3 388.468 0.650 20 30 GCEDHN CC(C)C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NCC(N)=O ZINC001172975291 1205718162 /nfs/dbraw/zinc/71/81/62/1205718162.db2.gz BWESZKLSPKXLIX-ILXRZTDVSA-N 0 3 395.504 0.884 20 30 GCEDHN COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)CCN1C(=O)c1ccccc1 ZINC001173495795 1205721458 /nfs/dbraw/zinc/72/14/58/1205721458.db2.gz NCXLGGMYDWKXCU-UKMLZYKCSA-N 0 3 375.425 0.659 20 30 GCEDHN COc1ncnc(N(C(=O)C(C)C#N)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001179894808 1205815442 /nfs/dbraw/zinc/81/54/42/1205815442.db2.gz NCTWDZYCHOEZPT-SNVBAGLBSA-N 0 3 391.409 0.958 20 30 GCEDHN C=CCNC(=O)NC(=O)[C@@H](C)NCCN(CC)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001273521941 1205940161 /nfs/dbraw/zinc/94/01/61/1205940161.db2.gz QSXLBVLGPJAIJD-RDGWLKQMSA-N 0 3 378.473 0.248 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573285090 946769090 /nfs/dbraw/zinc/76/90/90/946769090.db2.gz CSASMISWUJOLAE-BZSNNMDCSA-N 0 3 379.468 0.701 20 30 GCEDHN C#CCNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573285734 946787280 /nfs/dbraw/zinc/78/72/80/946787280.db2.gz MMUABLPOMHZWQU-FZMZJTMJSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573286001 946791892 /nfs/dbraw/zinc/79/18/92/946791892.db2.gz RFYOSGFLQULHRK-NVXWUHKLSA-N 0 3 383.456 0.817 20 30 GCEDHN C#CC[NH2+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573286001 946791902 /nfs/dbraw/zinc/79/19/02/946791902.db2.gz RFYOSGFLQULHRK-NVXWUHKLSA-N 0 3 383.456 0.817 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001573286352 946804595 /nfs/dbraw/zinc/80/45/95/946804595.db2.gz ZJSJMFWCFCTBON-RKVPGOIHSA-N 0 3 394.483 0.548 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567683 947052445 /nfs/dbraw/zinc/05/24/45/947052445.db2.gz QVAVODNLIMNKJE-XIKOKIGWSA-N 0 3 387.419 0.609 20 30 GCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573310107 947218500 /nfs/dbraw/zinc/21/85/00/947218500.db2.gz UBDXJQSLSCXDID-KUHUBIRLSA-N 0 3 386.456 0.893 20 30 GCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573310107 947218512 /nfs/dbraw/zinc/21/85/12/947218512.db2.gz UBDXJQSLSCXDID-KUHUBIRLSA-N 0 3 386.456 0.893 20 30 GCEDHN C=CCOCC(=O)N1CCO[C@H](CNCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573343204 947551580 /nfs/dbraw/zinc/55/15/80/947551580.db2.gz KTTJGLNXQXYCPQ-OAHLLOKOSA-N 0 3 390.419 0.525 20 30 GCEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000298605478 530172859 /nfs/dbraw/zinc/17/28/59/530172859.db2.gz NCESFVAGMRQOEP-GFCCVEGCSA-N 0 3 390.483 0.670 20 30 GCEDHN COCCN(CCC#N)S(=O)(=O)N1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000409508640 530229748 /nfs/dbraw/zinc/22/97/48/530229748.db2.gz SEXYEDPDJLMROP-LSDHHAIUSA-N 0 3 376.548 0.605 20 30 GCEDHN CN(C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288854772 530261969 /nfs/dbraw/zinc/26/19/69/530261969.db2.gz QAXUIOKSMRAAFY-OAHLLOKOSA-N 0 3 383.246 0.688 20 30 GCEDHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000582332089 530327284 /nfs/dbraw/zinc/32/72/84/530327284.db2.gz UBTOBRJHEPDZBG-CABCVRRESA-N 0 3 382.511 0.341 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(NS(C)(=O)=O)C2)cc1 ZINC000599793885 530474910 /nfs/dbraw/zinc/47/49/10/530474910.db2.gz WSXXIXMAQTZECO-SNVBAGLBSA-N 0 3 386.455 0.138 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000444522197 530546181 /nfs/dbraw/zinc/54/61/81/530546181.db2.gz VKYFNZFJBPNNIQ-UHFFFAOYSA-N 0 3 397.273 0.853 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)CCSC1 ZINC000329229835 530608744 /nfs/dbraw/zinc/60/87/44/530608744.db2.gz JOWWMJCDWINRTE-ZFWWWQNUSA-N 0 3 378.564 0.694 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CCSC1 ZINC000329231062 530608768 /nfs/dbraw/zinc/60/87/68/530608768.db2.gz KJEFVGKBDURSTF-ZBFHGGJFSA-N 0 3 392.591 0.941 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CCSC1 ZINC000330088829 530626135 /nfs/dbraw/zinc/62/61/35/530626135.db2.gz VDAIJFLGYZXSMI-HIFRSBDPSA-N 0 3 378.564 0.741 20 30 GCEDHN N#Cc1ccccc1OC[C@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000600721792 530822864 /nfs/dbraw/zinc/82/28/64/530822864.db2.gz MDGKQSCYHWUQBO-OAHLLOKOSA-N 0 3 385.511 0.266 20 30 GCEDHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419694329 530862220 /nfs/dbraw/zinc/86/22/20/530862220.db2.gz PPKVANJTWGCTPX-UHFFFAOYSA-N 0 3 383.246 0.690 20 30 GCEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349485556 530878812 /nfs/dbraw/zinc/87/88/12/530878812.db2.gz UTPJSEVPUQCZKU-HUUCEWRRSA-N 0 3 392.547 0.050 20 30 GCEDHN CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)C2)cc1 ZINC000571701334 530980253 /nfs/dbraw/zinc/98/02/53/530980253.db2.gz KFDDFGDMQNLNRE-ZDUSSCGKSA-N 0 3 386.499 0.061 20 30 GCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@@H](N(C)C)C2)cc1 ZINC000270497572 531005246 /nfs/dbraw/zinc/00/52/46/531005246.db2.gz PFWOJNUXVKKQHP-JKSUJKDBSA-N 0 3 381.523 0.716 20 30 GCEDHN N#CCCC[C@@H]([NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000424183124 531028809 /nfs/dbraw/zinc/02/88/09/531028809.db2.gz IHJDVPYCJILLPX-GFCCVEGCSA-N 0 3 376.841 0.895 20 30 GCEDHN C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823877814 608035037 /nfs/dbraw/zinc/03/50/37/608035037.db2.gz GJDJIAYZUSYKCW-LBPRGKRZSA-N 0 3 375.481 0.850 20 30 GCEDHN C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823877814 608035038 /nfs/dbraw/zinc/03/50/38/608035038.db2.gz GJDJIAYZUSYKCW-LBPRGKRZSA-N 0 3 375.481 0.850 20 30 GCEDHN C=C(Br)CNC(=O)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000790190493 641409357 /nfs/dbraw/zinc/40/93/57/641409357.db2.gz KFXHHAIAYUSNJE-GFCCVEGCSA-N 0 3 375.311 0.401 20 30 GCEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 ZINC000830473523 642139483 /nfs/dbraw/zinc/13/94/83/642139483.db2.gz GGEDJRSVKGVZQH-NWDGAFQWSA-N 0 3 383.392 0.872 20 30 GCEDHN C[C@@H]1CN(C[C@H](O)CN[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000567493714 1192193837 /nfs/dbraw/zinc/19/38/37/1192193837.db2.gz IEFZVJLDSGEHOT-SMOSDQRPSA-N 0 3 386.496 0.719 20 30 GCEDHN C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652445273 1192224617 /nfs/dbraw/zinc/22/46/17/1192224617.db2.gz PADUDIQQHLPFSR-UHFFFAOYSA-N 0 3 378.517 0.814 20 30 GCEDHN N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1 ZINC000512364411 1192633183 /nfs/dbraw/zinc/63/31/83/1192633183.db2.gz FYHAOFQAPGZZAZ-MRXNPFEDSA-N 0 3 394.497 0.455 20 30 GCEDHN N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418766572 1192641111 /nfs/dbraw/zinc/64/11/11/1192641111.db2.gz NDJUCWWNSDZBOB-ZDUSSCGKSA-N 0 3 386.412 0.626 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000728930066 1192864720 /nfs/dbraw/zinc/86/47/20/1192864720.db2.gz GYDJCQHURNBDBS-UHFFFAOYSA-N 0 3 396.495 0.906 20 30 GCEDHN CN(CCC#N)C[C@@H](O)CNCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000579701073 1184096828 /nfs/dbraw/zinc/09/68/28/1184096828.db2.gz VKEAMWNNWHTFID-KRWDZBQOSA-N 0 3 380.514 0.767 20 30 GCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000274617045 1184120676 /nfs/dbraw/zinc/12/06/76/1184120676.db2.gz VSNPBLKLSYGDHJ-KRWDZBQOSA-N 0 3 385.516 0.811 20 30 GCEDHN C#CCN(CC#CC)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000784926047 1184232495 /nfs/dbraw/zinc/23/24/95/1184232495.db2.gz QDUDRUAZIRDTGE-UHFFFAOYSA-N 0 3 382.420 0.580 20 30 GCEDHN C#Cc1cccc(NC(=O)C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000890975128 1184796400 /nfs/dbraw/zinc/79/64/00/1184796400.db2.gz DAILQIYFRYTTBZ-UHFFFAOYSA-N 0 3 382.464 0.939 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(=O)NCC(C)C)C1 ZINC001691125380 1185989164 /nfs/dbraw/zinc/98/91/64/1185989164.db2.gz MYNROXROUZWNFH-FPCVCCKLSA-N 0 3 380.489 0.496 20 30 GCEDHN Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nnn(C)n1 ZINC001707904628 1185992371 /nfs/dbraw/zinc/99/23/71/1185992371.db2.gz FIMGLPFMGFYVFW-UHFFFAOYSA-N 0 3 392.471 0.742 20 30 GCEDHN Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001707916640 1186275203 /nfs/dbraw/zinc/27/52/03/1186275203.db2.gz KWUDRJVGDUJTLS-HOTGVXAUSA-N 0 3 375.477 0.258 20 30 GCEDHN Cn1c(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(C#N)c(=O)n(C)c1=O ZINC000277283641 1186317372 /nfs/dbraw/zinc/31/73/72/1186317372.db2.gz ZADDLMDTUPSQHV-MRXNPFEDSA-N 0 3 383.452 0.659 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000583147113 1186780699 /nfs/dbraw/zinc/78/06/99/1186780699.db2.gz JAYAJXSZDRAMMA-QGZVFWFLSA-N 0 3 393.513 0.665 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000248151187 1186803942 /nfs/dbraw/zinc/80/39/42/1186803942.db2.gz QUQPPQJZZWSQFZ-VNHYZAJKSA-N 0 3 376.482 0.966 20 30 GCEDHN CC(C)[C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000329198927 1186874819 /nfs/dbraw/zinc/87/48/19/1186874819.db2.gz UVBDITOVQTVGCH-GOSISDBHSA-N 0 3 395.548 0.497 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)CCNC2CCC3(CC2)NC(=O)NC3=O)cc1 ZINC000584049100 1186990668 /nfs/dbraw/zinc/99/06/68/1186990668.db2.gz YKHSQUUXGDFEBY-UHFFFAOYSA-N 0 3 376.438 0.442 20 30 GCEDHN N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@H](N4CCCC4)C3)CC2)c1 ZINC000584099037 1186998461 /nfs/dbraw/zinc/99/84/61/1186998461.db2.gz LVBKUNGIMOWOEC-KRWDZBQOSA-N 0 3 382.468 0.299 20 30 GCEDHN COCC[C@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCOC1 ZINC000584390338 1187047125 /nfs/dbraw/zinc/04/71/25/1187047125.db2.gz HSRONTNOSWEQAR-SFHVURJKSA-N 0 3 377.445 0.289 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3OCC[C@H]3C(C)C)C[C@H]2O)CC1 ZINC001024131868 1187260872 /nfs/dbraw/zinc/26/08/72/1187260872.db2.gz ODDQZLNYAHHIHY-MANSERQUSA-N 0 3 391.512 0.081 20 30 GCEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000658678165 1187409229 /nfs/dbraw/zinc/40/92/29/1187409229.db2.gz VNZBVXPJGMHDIF-IRXDYDNUSA-N 0 3 376.501 0.566 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000364939528 1187474060 /nfs/dbraw/zinc/47/40/60/1187474060.db2.gz XXYFEHZFDYSZCV-GJZGRUSLSA-N 0 3 394.497 0.140 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)CC1 ZINC000431755267 1187682818 /nfs/dbraw/zinc/68/28/18/1187682818.db2.gz OXHFOSKRYGFUSH-UHFFFAOYSA-N 0 3 387.484 0.932 20 30 GCEDHN CN(CCC#N)C[C@H](O)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000414122421 1187725037 /nfs/dbraw/zinc/72/50/37/1187725037.db2.gz ARICHSJIOSSWDP-GHTZIAJQSA-N 0 3 399.495 0.779 20 30 GCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000066568485 1187738489 /nfs/dbraw/zinc/73/84/89/1187738489.db2.gz XQAKHTLRDZDJDZ-MRXNPFEDSA-N 0 3 393.532 0.653 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000587659167 1187883068 /nfs/dbraw/zinc/88/30/68/1187883068.db2.gz JAKUZJXIYAAVEP-UHFFFAOYSA-N 0 3 396.495 0.805 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000162736985 1189798881 /nfs/dbraw/zinc/79/88/81/1189798881.db2.gz ZJUAOTLLUOQBLC-ICSRJNTNSA-N 0 3 386.496 0.731 20 30 GCEDHN CN(C)C(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000411943225 1193796142 /nfs/dbraw/zinc/79/61/42/1193796142.db2.gz NEMOHVNGZUXTOI-CVEARBPZSA-N 0 3 389.525 0.867 20 30 GCEDHN CCS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)NCCCOC(C)C)C1 ZINC000729067378 1193904183 /nfs/dbraw/zinc/90/41/83/1193904183.db2.gz FNVJRUJNONDIAS-GJZGRUSLSA-N 0 3 387.502 0.688 20 30 GCEDHN C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N1CCN(c2ccccn2)CC1 ZINC000262831669 1193956776 /nfs/dbraw/zinc/95/67/76/1193956776.db2.gz RNTGDFRCEVDFDB-UHFFFAOYSA-N 0 3 382.468 0.915 20 30 GCEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420043348 1194167241 /nfs/dbraw/zinc/16/72/41/1194167241.db2.gz RTKUCMLGZLRNTK-HOCLYGCPSA-N 0 3 385.468 0.436 20 30 GCEDHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000420048357 1194168799 /nfs/dbraw/zinc/16/87/99/1194168799.db2.gz XDUISSSZGJWWJO-CRAIPNDOSA-N 0 3 399.495 0.432 20 30 GCEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000420048360 1194169107 /nfs/dbraw/zinc/16/91/07/1194169107.db2.gz XDUISSSZGJWWJO-YJBOKZPZSA-N 0 3 399.495 0.432 20 30 GCEDHN C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103890 1194386503 /nfs/dbraw/zinc/38/65/03/1194386503.db2.gz OIBFUQZNEQCZGX-LPHOPBHVSA-N 0 3 386.496 0.925 20 30 GCEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000422110974 1194392036 /nfs/dbraw/zinc/39/20/36/1194392036.db2.gz CQELMMRXADNYPV-MRXNPFEDSA-N 0 3 387.459 0.899 20 30 GCEDHN Cc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCCN3C)CC2)c1C#N ZINC000422115936 1194393749 /nfs/dbraw/zinc/39/37/49/1194393749.db2.gz NKHWSROKKBUGAP-CQSZACIVSA-N 0 3 390.513 0.524 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000272514967 1194468237 /nfs/dbraw/zinc/46/82/37/1194468237.db2.gz PFCUEDFJBYGRFK-YSVLISHTSA-N 0 3 376.482 0.778 20 30 GCEDHN CC(C)[C@@H](CO)NCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000272762472 1194498066 /nfs/dbraw/zinc/49/80/66/1194498066.db2.gz QOATUIICPNLVPG-OAHLLOKOSA-N 0 3 382.486 0.702 20 30 GCEDHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000504061508 1194750148 /nfs/dbraw/zinc/75/01/48/1194750148.db2.gz VORYYDGMGGJXQU-SFHVURJKSA-N 0 3 385.468 0.906 20 30 GCEDHN CS(=O)(=O)c1ccc(NCCNC(=O)[C@H](N)CCCC#N)c([N+](=O)[O-])c1 ZINC000424066363 1194800371 /nfs/dbraw/zinc/80/03/71/1194800371.db2.gz SITAHAUXHWNMSN-GFCCVEGCSA-N 0 3 383.430 0.548 20 30 GCEDHN N#CCCC[C@@H](N)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000424066093 1194800479 /nfs/dbraw/zinc/80/04/79/1194800479.db2.gz RPVOTJHSYMIOIR-QGZVFWFLSA-N 0 3 394.497 0.486 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000141666725 1194869601 /nfs/dbraw/zinc/86/96/01/1194869601.db2.gz ZJUUIZMEGUKGDF-HZPDHXFCSA-N 0 3 387.509 0.963 20 30 GCEDHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1 ZINC000425380087 1194932417 /nfs/dbraw/zinc/93/24/17/1194932417.db2.gz DWGVLFHKWMHHGJ-QFBILLFUSA-N 0 3 399.470 0.899 20 30 GCEDHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNCc1cnc2c(C#N)cnn2c1 ZINC000515846211 1195000601 /nfs/dbraw/zinc/00/06/01/1195000601.db2.gz KHRDRVXJKQKPMT-HNNXBMFYSA-N 0 3 377.474 0.351 20 30 GCEDHN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000516180442 1195030800 /nfs/dbraw/zinc/03/08/00/1195030800.db2.gz UQXPURIHGOPPRV-SJLPKXTDSA-N 0 3 393.447 0.891 20 30 GCEDHN N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000516863476 1195106204 /nfs/dbraw/zinc/10/62/04/1195106204.db2.gz WPBGADUPBCTSHH-RCCFBDPRSA-N 0 3 376.482 0.662 20 30 GCEDHN N#Cc1ccc(OC[C@H](O)CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000517127404 1195139272 /nfs/dbraw/zinc/13/92/72/1195139272.db2.gz KZIYGIJUWWFAGW-MRXNPFEDSA-N 0 3 375.450 0.866 20 30 GCEDHN N#Cc1ccc(OC[C@@H](O)CNCCNS(=O)(=O)c2ccccc2)cc1 ZINC000517127082 1195139299 /nfs/dbraw/zinc/13/92/99/1195139299.db2.gz KZIYGIJUWWFAGW-INIZCTEOSA-N 0 3 375.450 0.866 20 30 GCEDHN COCCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000518606925 1195309174 /nfs/dbraw/zinc/30/91/74/1195309174.db2.gz MKRSPCXXFZPMHG-HNNXBMFYSA-N 0 3 380.470 0.016 20 30 GCEDHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000439617773 1195337302 /nfs/dbraw/zinc/33/73/02/1195337302.db2.gz WUWZNHRXUJMLOW-UHFFFAOYSA-N 0 3 382.848 0.549 20 30 GCEDHN CCN(CC)CC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000507571854 1195532815 /nfs/dbraw/zinc/53/28/15/1195532815.db2.gz WJXPYWNOVJLJGG-GOSISDBHSA-N 0 3 397.479 0.676 20 30 GCEDHN N#Cc1ccsc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000550384808 1195652961 /nfs/dbraw/zinc/65/29/61/1195652961.db2.gz LEVKMAAUQOQEKK-UHFFFAOYSA-N 0 3 375.454 0.325 20 30 GCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330644341 1195699025 /nfs/dbraw/zinc/69/90/25/1195699025.db2.gz KLNOYOCRPYOGIL-QGZVFWFLSA-N 0 3 399.561 0.035 20 30 GCEDHN CN1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1(C)C ZINC000330769609 1195706999 /nfs/dbraw/zinc/70/69/99/1195706999.db2.gz ZOJYFPXLIJUFON-CABCVRRESA-N 0 3 389.566 0.376 20 30 GCEDHN C[C@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1CC(C)(C)O ZINC000331214001 1195724235 /nfs/dbraw/zinc/72/42/35/1195724235.db2.gz AXWBBPPCCKCMTF-HNNXBMFYSA-N 0 3 383.537 0.230 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000442262433 1195967192 /nfs/dbraw/zinc/96/71/92/1195967192.db2.gz HBNVRSRCUCOKMQ-UHFFFAOYSA-N 0 3 380.470 0.348 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)[C@@H]1CC ZINC001087732516 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C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573284885 946759393 /nfs/dbraw/zinc/75/93/93/946759393.db2.gz AENCDKIXKMJRQS-UKRRQHHQSA-N 0 3 384.440 0.604 20 30 GCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573284885 946759398 /nfs/dbraw/zinc/75/93/98/946759398.db2.gz AENCDKIXKMJRQS-UKRRQHHQSA-N 0 3 384.440 0.604 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573565102 946998875 /nfs/dbraw/zinc/99/88/75/946998875.db2.gz MYTXEGVDDAOEID-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001573565102 946998885 /nfs/dbraw/zinc/99/88/85/946998885.db2.gz MYTXEGVDDAOEID-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573565102 946998889 /nfs/dbraw/zinc/99/88/89/946998889.db2.gz MYTXEGVDDAOEID-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001573565102 946998898 /nfs/dbraw/zinc/99/88/98/946998898.db2.gz MYTXEGVDDAOEID-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567732 947053687 /nfs/dbraw/zinc/05/36/87/947053687.db2.gz RNOFOOSIEWZKJP-OCCSQVGLSA-N 0 3 387.419 0.873 20 30 GCEDHN C[C@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573584516 947224539 /nfs/dbraw/zinc/22/45/39/947224539.db2.gz XDZROMOOTHAAAP-CQSZACIVSA-N 0 3 382.472 0.697 20 30 GCEDHN C[C@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573584516 947224555 /nfs/dbraw/zinc/22/45/55/947224555.db2.gz XDZROMOOTHAAAP-CQSZACIVSA-N 0 3 382.472 0.697 20 30 GCEDHN C=CCOCC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001573348577 947586849 /nfs/dbraw/zinc/58/68/49/947586849.db2.gz SCOVUMCSURAPDC-AWEZNQCLSA-N 0 3 375.433 0.218 20 30 GCEDHN C=CCOCC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001573348577 947586858 /nfs/dbraw/zinc/58/68/58/947586858.db2.gz SCOVUMCSURAPDC-AWEZNQCLSA-N 0 3 375.433 0.218 20 30 GCEDHN C=CCn1cc(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001573351515 947615527 /nfs/dbraw/zinc/61/55/27/947615527.db2.gz RKYDRDGYWSGOQG-CYBMUJFWSA-N 0 3 381.444 0.942 20 30 GCEDHN C=CCn1cc(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001573351515 947615534 /nfs/dbraw/zinc/61/55/34/947615534.db2.gz RKYDRDGYWSGOQG-CYBMUJFWSA-N 0 3 381.444 0.942 20 30 GCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nnn[n-]3)C2)nn1 ZINC001573351572 947616669 /nfs/dbraw/zinc/61/66/69/947616669.db2.gz SLJITFKROFUESL-CZUORRHYSA-N 0 3 393.455 0.895 20 30 GCEDHN C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[n-]n3)C2)nn1 ZINC001573351572 947616678 /nfs/dbraw/zinc/61/66/78/947616678.db2.gz SLJITFKROFUESL-CZUORRHYSA-N 0 3 393.455 0.895 20 30 GCEDHN CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000409494858 530229430 /nfs/dbraw/zinc/22/94/30/530229430.db2.gz RYYLGSZOCWASFT-CABCVRRESA-N 0 3 375.539 0.395 20 30 GCEDHN C[C@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)NCCN(C)C ZINC000583450006 530274458 /nfs/dbraw/zinc/27/44/58/530274458.db2.gz CKXIJCLHQSKGCC-NSHDSACASA-N 0 3 397.273 0.882 20 30 GCEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000584183483 530359775 /nfs/dbraw/zinc/35/97/75/530359775.db2.gz JXDIILGVYDTPHV-AAEUAGOBSA-N 0 3 399.270 0.253 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1Br ZINC000583154449 530334457 /nfs/dbraw/zinc/33/44/57/530334457.db2.gz BMKYIOPBFFTCBP-GXFFZTMASA-N 0 3 399.270 0.253 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(NS(C)(=O)=O)C2)cc1 ZINC000599793883 530474753 /nfs/dbraw/zinc/47/47/53/530474753.db2.gz WSXXIXMAQTZECO-JTQLQIEISA-N 0 3 386.455 0.138 20 30 GCEDHN O=C(NCCS(=O)(=O)N1CCSCC1)N1CCN(C2CCCC2)CC1 ZINC000328660249 530517212 /nfs/dbraw/zinc/51/72/12/530517212.db2.gz VAKOGDNEXHRMEE-UHFFFAOYSA-N 0 3 390.575 0.839 20 30 GCEDHN CN(C)S(=O)(=O)NCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000331310033 530545181 /nfs/dbraw/zinc/54/51/81/530545181.db2.gz BRZRSSNQPUVOHB-UHFFFAOYSA-N 0 3 393.579 0.248 20 30 GCEDHN CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000520253977 530607279 /nfs/dbraw/zinc/60/72/79/530607279.db2.gz GRLWHSFMEOOJLP-AWEZNQCLSA-N 0 3 392.547 0.098 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCSC1 ZINC000329231646 530608807 /nfs/dbraw/zinc/60/88/07/530608807.db2.gz KUAPZKASTLKSAB-CZUORRHYSA-N 0 3 390.575 0.884 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CCSC1 ZINC000329282877 530610040 /nfs/dbraw/zinc/61/00/40/530610040.db2.gz NDGUGHVNGCIWSC-HNNXBMFYSA-N 0 3 378.564 0.599 20 30 GCEDHN C[C@@H]1C[C@H](N(C)C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1C ZINC000329803303 530621578 /nfs/dbraw/zinc/62/15/78/530621578.db2.gz LDYKPUWFWOUDCF-ZIAGYGMSSA-N 0 3 378.564 0.694 20 30 GCEDHN C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000349518179 530669821 /nfs/dbraw/zinc/66/98/21/530669821.db2.gz GPFSOHLKXKMADZ-HUUCEWRRSA-N 0 3 392.547 0.050 20 30 GCEDHN C=CC[C@@H](CO)CNCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000579711807 530746430 /nfs/dbraw/zinc/74/64/30/530746430.db2.gz HOXUDUBFQKRSIM-CQSZACIVSA-N 0 3 390.527 0.485 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000582557299 530845751 /nfs/dbraw/zinc/84/57/51/530845751.db2.gz WMJHORYLGPGAQO-STQMWFEESA-N 0 3 386.499 0.107 20 30 GCEDHN C[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349485554 530878881 /nfs/dbraw/zinc/87/88/81/530878881.db2.gz UTPJSEVPUQCZKU-CABCVRRESA-N 0 3 392.547 0.050 20 30 GCEDHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293611271 530932633 /nfs/dbraw/zinc/93/26/33/530932633.db2.gz HAUUILCYDDGFNP-HNNXBMFYSA-N 0 3 383.246 0.688 20 30 GCEDHN N#CCCC[C@H]([NH3+])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000424183125 531028900 /nfs/dbraw/zinc/02/89/00/531028900.db2.gz IHJDVPYCJILLPX-LBPRGKRZSA-N 0 3 376.841 0.895 20 30 GCEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857879 606699089 /nfs/dbraw/zinc/69/90/89/606699089.db2.gz WIJYKYOKAKCKGO-PIGZYNQJSA-N 0 3 388.480 0.479 20 30 GCEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000819857879 606699092 /nfs/dbraw/zinc/69/90/92/606699092.db2.gz WIJYKYOKAKCKGO-PIGZYNQJSA-N 0 3 388.480 0.479 20 30 GCEDHN Cc1cc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)ccc1Cl ZINC000732909028 639815040 /nfs/dbraw/zinc/81/50/40/639815040.db2.gz WCJZBVLPKXENHS-CYBMUJFWSA-N 0 3 384.841 0.993 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000815082449 641819641 /nfs/dbraw/zinc/81/96/41/641819641.db2.gz RKMRCQUSQGKKLA-UHFFFAOYSA-N 0 3 385.511 0.361 20 30 GCEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000830473511 642139431 /nfs/dbraw/zinc/13/94/31/642139431.db2.gz GGEDJRSVKGVZQH-NEPJUHHUSA-N 0 3 383.392 0.872 20 30 GCEDHN C#CCN(C)CCCNC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000836354931 642248695 /nfs/dbraw/zinc/24/86/95/642248695.db2.gz HUHPRKYUVUSIEM-UHFFFAOYSA-N 0 3 384.424 0.555 20 30 GCEDHN C#CCN1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000978911179 1192239816 /nfs/dbraw/zinc/23/98/16/1192239816.db2.gz YYUQPCAXRSNHPI-DUJMNAJWSA-N 0 3 385.508 0.766 20 30 GCEDHN CN(C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1(C#N)CCCCC1 ZINC000162811565 1192511477 /nfs/dbraw/zinc/51/14/77/1192511477.db2.gz YWQYRDXHUZIINB-KRWDZBQOSA-N 0 3 375.517 0.910 20 30 GCEDHN CN(CC(=O)N[C@@H](CO)CN1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000512384702 1192639801 /nfs/dbraw/zinc/63/98/01/1192639801.db2.gz UZOSUPCXWSVMDW-MRXNPFEDSA-N 0 3 394.497 0.142 20 30 GCEDHN C=CCCCCCN(C)C(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000410646115 1192786499 /nfs/dbraw/zinc/78/64/99/1192786499.db2.gz YAORIQNWQYKFPT-KRWDZBQOSA-N 0 3 378.517 0.956 20 30 GCEDHN C#CCN(C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1)C1CC1 ZINC000784920643 1184175526 /nfs/dbraw/zinc/17/55/26/1184175526.db2.gz HASPCWRUTPVFNZ-UHFFFAOYSA-N 0 3 382.464 0.947 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2cccc(CN(C)C)c2)C[C@@H]1O ZINC000970711306 1184979451 /nfs/dbraw/zinc/97/94/51/1184979451.db2.gz ANMSSRURESEGMT-YRXWBPOGSA-N 0 3 387.480 0.641 20 30 GCEDHN C=CCc1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(OC)c1OC ZINC000580785809 1185361075 /nfs/dbraw/zinc/36/10/75/1185361075.db2.gz PBCRCWVHSYCICI-HOTGVXAUSA-N 0 3 388.468 0.886 20 30 GCEDHN CCOC(=O)CON=C(C(=O)N(CCN(C)C)Cc1ccco1)c1ccn[nH]1 ZINC000276627422 1185930516 /nfs/dbraw/zinc/93/05/16/1185930516.db2.gz SAQYKWDPLFSZST-HEHNFIMWSA-N 0 3 391.428 0.877 20 30 GCEDHN C#CCN1CCC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)C1 ZINC000891607537 1185938286 /nfs/dbraw/zinc/93/82/86/1185938286.db2.gz OIFPPUFSWCOTKI-HXUWFJFHSA-N 0 3 397.523 0.586 20 30 GCEDHN CC(C)(C#N)CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000510658668 1186048807 /nfs/dbraw/zinc/04/88/07/1186048807.db2.gz OCXGHYQQLRXJOK-UHFFFAOYSA-N 0 3 385.468 0.988 20 30 GCEDHN COCCN(CCN(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000276963845 1186179711 /nfs/dbraw/zinc/17/97/11/1186179711.db2.gz XLJQQMPQORSJMK-GOSISDBHSA-N 0 3 387.484 0.879 20 30 GCEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000287875621 1186513226 /nfs/dbraw/zinc/51/32/26/1186513226.db2.gz MUWLFKTXRDRNHP-KRWDZBQOSA-N 0 3 384.484 0.592 20 30 GCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000582968361 1186738793 /nfs/dbraw/zinc/73/87/93/1186738793.db2.gz PGZRFGGCSXRZOC-UHFFFAOYSA-N 0 3 381.502 0.187 20 30 GCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000248006837 1186780119 /nfs/dbraw/zinc/78/01/19/1186780119.db2.gz KXOITWNBAXIDPF-KCQAQPDRSA-N 0 3 376.482 0.966 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000248151183 1186803720 /nfs/dbraw/zinc/80/37/20/1186803720.db2.gz QUQPPQJZZWSQFZ-IPYPFGDCSA-N 0 3 376.482 0.966 20 30 GCEDHN O=C(CCNC(=O)N[C@@H]1CCN(C2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000329359718 1186922597 /nfs/dbraw/zinc/92/25/97/1186922597.db2.gz BXFYLMDPHHABFZ-OAHLLOKOSA-N 0 3 387.488 0.256 20 30 GCEDHN N#CCn1c(CN2CCN(C(=O)CN3CCCC3)CC2)nc2ccccc2c1=O ZINC000728575508 1186932203 /nfs/dbraw/zinc/93/22/03/1186932203.db2.gz ADNHIAKUGMNUIR-UHFFFAOYSA-N 0 3 394.479 0.660 20 30 GCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21)C(C)C ZINC000583758681 1186933983 /nfs/dbraw/zinc/93/39/83/1186933983.db2.gz SSIWHSSAYJWWSQ-BRWVUGGUSA-N 0 3 376.501 0.538 20 30 GCEDHN C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(CC)CC2)cc1 ZINC000052679972 1186961545 /nfs/dbraw/zinc/96/15/45/1186961545.db2.gz TVTIYPPYGGFTAT-UHFFFAOYSA-N 0 3 387.484 0.295 20 30 GCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000248055612 1186976511 /nfs/dbraw/zinc/97/65/11/1186976511.db2.gz SDSOZBRHHZIZAK-UHFFFAOYSA-N 0 3 380.514 0.518 20 30 GCEDHN N#Cc1ccc(F)c(CS(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000161991834 1186985909 /nfs/dbraw/zinc/98/59/09/1186985909.db2.gz SPIWXIBGEKAJKC-CQSZACIVSA-N 0 3 382.461 0.704 20 30 GCEDHN N#CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211620067 1187066257 /nfs/dbraw/zinc/06/62/57/1187066257.db2.gz FBMPTINVXCFZFC-VXIBKDFQSA-N 0 3 392.463 0.737 20 30 GCEDHN O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000376203290 1187671092 /nfs/dbraw/zinc/67/10/92/1187671092.db2.gz MGVNCYDZYSQALV-OAHLLOKOSA-N 0 3 376.482 0.716 20 30 GCEDHN CN(CC(=O)N1CCO[C@H]2CCN(C)C[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000581375459 1187714594 /nfs/dbraw/zinc/71/45/94/1187714594.db2.gz GOZMFNDBTLRHII-IRXDYDNUSA-N 0 3 392.481 0.110 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001025001304 1187742657 /nfs/dbraw/zinc/74/26/57/1187742657.db2.gz OKGFNOQYKGBYJC-HZMVEIRTSA-N 0 3 379.501 0.530 20 30 GCEDHN N#Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1C(F)(F)F ZINC000582556062 1187753554 /nfs/dbraw/zinc/75/35/54/1187753554.db2.gz BUQCPOVDIUCFGS-MFKMUULPSA-N 0 3 388.371 0.510 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2sccc2C#N)CC1 ZINC000293087835 1187908349 /nfs/dbraw/zinc/90/83/49/1187908349.db2.gz NPVRUJXQQMLFSU-UHFFFAOYSA-N 0 3 377.470 0.571 20 30 GCEDHN N#Cc1ncn(CCNC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000376564882 1187932740 /nfs/dbraw/zinc/93/27/40/1187932740.db2.gz JIBBENPEUAXCGT-QGZVFWFLSA-N 0 3 383.456 0.740 20 30 GCEDHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000377931127 1189376260 /nfs/dbraw/zinc/37/62/60/1189376260.db2.gz GJRMUPFEIOSWHL-UHFFFAOYSA-N 0 3 385.428 0.114 20 30 GCEDHN N#Cc1cc(NC(=O)C(=O)N2CCOC3(CNC3)C2)ccc1OCC(F)(F)F ZINC000415897033 1189400550 /nfs/dbraw/zinc/40/05/50/1189400550.db2.gz ROYCIHVVPVJJKD-UHFFFAOYSA-N 0 3 398.341 0.639 20 30 GCEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000378190362 1189439185 /nfs/dbraw/zinc/43/91/85/1189439185.db2.gz OIGGSTAIIYHILD-QGZVFWFLSA-N 0 3 383.452 0.570 20 30 GCEDHN CN1CCC(CNS(=O)(=O)c2cncc(C#N)c2)(N2CCOCC2)CC1 ZINC000416577868 1189555491 /nfs/dbraw/zinc/55/54/91/1189555491.db2.gz GGZVJXFSBRHOOT-UHFFFAOYSA-N 0 3 379.486 0.028 20 30 GCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000364069628 1189640339 /nfs/dbraw/zinc/64/03/39/1189640339.db2.gz YJWFETYTPNFCSL-JKSUJKDBSA-N 0 3 379.482 0.744 20 30 GCEDHN C=CCn1c(-c2ncccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000417471507 1189670634 /nfs/dbraw/zinc/67/06/34/1189670634.db2.gz VECPWZHMSBLBIH-HNNXBMFYSA-N 0 3 382.472 0.664 20 30 GCEDHN C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)C1=O ZINC000661008542 1189980005 /nfs/dbraw/zinc/98/00/05/1189980005.db2.gz ZKBLUJNZRZKUNL-OALUTQOASA-N 0 3 398.507 0.965 20 30 GCEDHN CCS(=O)(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)NCCCOC(C)C)C1 ZINC000729067379 1193904012 /nfs/dbraw/zinc/90/40/12/1193904012.db2.gz FNVJRUJNONDIAS-HUUCEWRRSA-N 0 3 387.502 0.688 20 30 GCEDHN C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000262842549 1193957002 /nfs/dbraw/zinc/95/70/02/1193957002.db2.gz UYNBUODNOAFZBN-QGZVFWFLSA-N 0 3 386.456 0.504 20 30 GCEDHN CN(CC(=O)N(C)[C@H]1CCN(C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609509391 1194370811 /nfs/dbraw/zinc/37/08/11/1194370811.db2.gz WVLXAZVNYBMHST-INIZCTEOSA-N 0 3 376.482 0.874 20 30 GCEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000424076470 1194800880 /nfs/dbraw/zinc/80/08/80/1194800880.db2.gz MASDETCLZWNDCP-AWEZNQCLSA-N 0 3 386.424 0.819 20 30 GCEDHN N#CCCC[C@H](N)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000424092446 1194802287 /nfs/dbraw/zinc/80/22/87/1194802287.db2.gz PCKHPNUKBVFDTC-WBVHZDCISA-N 0 3 394.497 0.781 20 30 GCEDHN C[C@@H]1Cc2nnc(C(=O)NC3CCN(C)CC3)n2CCN1C(=O)CCS ZINC001269879234 1194876496 /nfs/dbraw/zinc/87/64/96/1194876496.db2.gz LRQHIGINPHEAOE-GFCCVEGCSA-N 0 3 380.518 0.195 20 30 GCEDHN COCCN(C)CCN1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1=O ZINC000425316759 1194908540 /nfs/dbraw/zinc/90/85/40/1194908540.db2.gz MBTDKBKAEMARHA-CYBMUJFWSA-N 0 3 380.395 0.745 20 30 GCEDHN COCCN(C)CCN1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1=O ZINC000425325485 1194911731 /nfs/dbraw/zinc/91/17/31/1194911731.db2.gz XFSMEKZJFJEMRX-GOSISDBHSA-N 0 3 384.480 0.885 20 30 GCEDHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[C@@H]2C1 ZINC000425379927 1194932479 /nfs/dbraw/zinc/93/24/79/1194932479.db2.gz DNMKFWCNZSTLBA-XUVXKRRUSA-N 0 3 395.507 0.776 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NC)nc(NC[C@H]2CCO[C@H]2C(=C)C)n1 ZINC000435601882 1194947783 /nfs/dbraw/zinc/94/77/83/1194947783.db2.gz AAIQQLAJOAMJLE-NCOADZHNSA-N 0 3 388.516 0.965 20 30 GCEDHN COCc1nc2n(n1)C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000516276715 1195039536 /nfs/dbraw/zinc/03/95/36/1195039536.db2.gz JQMPUYOHINVFJL-CYBMUJFWSA-N 0 3 376.442 0.069 20 30 GCEDHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000439634090 1195337856 /nfs/dbraw/zinc/33/78/56/1195337856.db2.gz NEDABWWKFVYEAI-UHFFFAOYSA-N 0 3 382.848 0.549 20 30 GCEDHN CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000328669732 1195659053 /nfs/dbraw/zinc/65/90/53/1195659053.db2.gz FJRFSULBPKMUKM-INIZCTEOSA-N 0 3 388.534 0.226 20 30 GCEDHN CN1CCN(CCNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1(C)C ZINC000330769610 1195706969 /nfs/dbraw/zinc/70/69/69/1195706969.db2.gz ZOJYFPXLIJUFON-HUUCEWRRSA-N 0 3 389.566 0.376 20 30 GCEDHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000331135772 1195720866 /nfs/dbraw/zinc/72/08/66/1195720866.db2.gz PZJUUYLCYBVGAO-VXGBXAGGSA-N 0 3 393.410 0.206 20 30 GCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000091589633 1195770008 /nfs/dbraw/zinc/77/00/08/1195770008.db2.gz FYMYCPCZZKTHFD-RTBURBONSA-N 0 3 377.533 0.333 20 30 GCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000092618844 1195779032 /nfs/dbraw/zinc/77/90/32/1195779032.db2.gz FLMAMUVIOXCORV-RTBURBONSA-N 0 3 377.533 0.333 20 30 GCEDHN CS[C@@H]1CN(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)C[C@H]1N(C)C ZINC000329151086 1196169628 /nfs/dbraw/zinc/16/96/28/1196169628.db2.gz ZXDRQFJDADESQS-VXGBXAGGSA-N 0 3 380.478 0.849 20 30 GCEDHN CN1CCN(CCNC(=O)N2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1(C)C ZINC000329172781 1196171898 /nfs/dbraw/zinc/17/18/98/1196171898.db2.gz KNEBLFCHWPOPKT-FQEVSTJZSA-N 0 3 395.548 0.376 20 30 GCEDHN COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCN(C3CCOCC3)CC1)CC2 ZINC000329770198 1196230407 /nfs/dbraw/zinc/23/04/07/1196230407.db2.gz INHMNAKEXKZBPI-CQSZACIVSA-N 0 3 378.477 0.450 20 30 GCEDHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000329794564 1196231614 /nfs/dbraw/zinc/23/16/14/1196231614.db2.gz CEVMKARPTZZVNY-INIZCTEOSA-N 0 3 389.566 0.141 20 30 GCEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000329814744 1196232531 /nfs/dbraw/zinc/23/25/31/1196232531.db2.gz UQTAGYSPZTWSFI-CZUORRHYSA-N 0 3 397.501 0.519 20 30 GCEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000329814743 1196232582 /nfs/dbraw/zinc/23/25/82/1196232582.db2.gz UQTAGYSPZTWSFI-CJNGLKHVSA-N 0 3 397.501 0.519 20 30 GCEDHN COCc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCN(C[C@@H]3CCOC3)CC1)CC2 ZINC000329841938 1196233807 /nfs/dbraw/zinc/23/38/07/1196233807.db2.gz OSURXMZISVGCSF-LSDHHAIUSA-N 0 3 378.477 0.307 20 30 GCEDHN COCc1noc(CN2CCN(C(=O)NC[C@H]3CCc4nccn4C3)CC2)n1 ZINC000329902233 1196237645 /nfs/dbraw/zinc/23/76/45/1196237645.db2.gz PFWPZTOOLJZUGI-CQSZACIVSA-N 0 3 389.460 0.707 20 30 GCEDHN CC(C)[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCOCC1 ZINC000330104567 1196252976 /nfs/dbraw/zinc/25/29/76/1196252976.db2.gz HCHKUJHZDHZZNN-ROUUACIJSA-N 0 3 395.548 0.496 20 30 GCEDHN Cc1nnc2n1C[C@H](CNC(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CC2 ZINC000330113609 1196254016 /nfs/dbraw/zinc/25/40/16/1196254016.db2.gz DCEKEIXEMJSGSV-HOTGVXAUSA-N 0 3 389.504 0.301 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000330139952 1196255773 /nfs/dbraw/zinc/25/57/73/1196255773.db2.gz PGBYKEHZRWDEGR-LSDHHAIUSA-N 0 3 379.505 0.538 20 30 GCEDHN C[C@H]([C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCOCC1 ZINC000330155695 1196256610 /nfs/dbraw/zinc/25/66/10/1196256610.db2.gz YKXFKSKXSIJENX-BBWFWOEESA-N 0 3 381.521 0.248 20 30 GCEDHN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330153124 1196256886 /nfs/dbraw/zinc/25/68/86/1196256886.db2.gz MMNCYOOCPACKDK-HOTGVXAUSA-N 0 3 379.505 0.538 20 30 GCEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000330257596 1196262148 /nfs/dbraw/zinc/26/21/48/1196262148.db2.gz LQRGODTVIQUFGO-LSDHHAIUSA-N 0 3 388.534 0.510 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001088136749 1196375442 /nfs/dbraw/zinc/37/54/42/1196375442.db2.gz FLTLUUYMTOARMS-CVYDXHPNSA-N 0 3 390.484 0.300 20 30 GCEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 ZINC000429712822 1196692767 /nfs/dbraw/zinc/69/27/67/1196692767.db2.gz CHATXLPUDJQNDA-MRXNPFEDSA-N 0 3 397.545 0.929 20 30 GCEDHN C=C(C)CN1CCC(NC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)CC1 ZINC000527729090 1196810266 /nfs/dbraw/zinc/81/02/66/1196810266.db2.gz KIBHHWLRGLFODP-UHFFFAOYSA-N 0 3 379.505 0.407 20 30 GCEDHN N#Cc1ccccc1OC[C@H](O)CN1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000528491260 1196865006 /nfs/dbraw/zinc/86/50/06/1196865006.db2.gz PUSUJGKZQVRKPH-OAHLLOKOSA-N 0 3 384.440 0.513 20 30 GCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1 ZINC000452350851 1197053299 /nfs/dbraw/zinc/05/32/99/1197053299.db2.gz OVWKAVSMVRWGNQ-MRXNPFEDSA-N 0 3 381.498 0.728 20 30 GCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452382249 1197054616 /nfs/dbraw/zinc/05/46/16/1197054616.db2.gz LXGBJNQXOOEHRH-HOCLYGCPSA-N 0 3 394.497 0.188 20 30 GCEDHN CN(C)CCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1=O ZINC000174867465 1197183154 /nfs/dbraw/zinc/18/31/54/1197183154.db2.gz SYZDJRXEHWQIHS-RBUKOAKNSA-N 0 3 383.496 0.633 20 30 GCEDHN CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1=O ZINC000174867455 1197183267 /nfs/dbraw/zinc/18/32/67/1197183267.db2.gz SYZDJRXEHWQIHS-RTBURBONSA-N 0 3 383.496 0.633 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)CC1 ZINC000760179915 1197202310 /nfs/dbraw/zinc/20/23/10/1197202310.db2.gz CARKKBDFKSTABR-GOSISDBHSA-N 0 3 384.480 0.051 20 30 GCEDHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C[C@H]3CNc4c(C#N)cnn4C3)C2)no1 ZINC000532530773 1197324691 /nfs/dbraw/zinc/32/46/91/1197324691.db2.gz NYVIWCUBEWOEDM-GDBMZVCRSA-N 0 3 398.471 0.865 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C)CC1 ZINC000988506473 1197430833 /nfs/dbraw/zinc/43/08/33/1197430833.db2.gz MNYUPRLORXECIP-DDBAPUKQSA-N 0 3 383.496 0.964 20 30 GCEDHN CN1CCN(CCCNc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H](c2ccccc2)C1 ZINC000301069055 1199023500 /nfs/dbraw/zinc/02/35/00/1199023500.db2.gz DSVJLUZSZNEIFP-SFHVURJKSA-N 0 3 396.495 0.746 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001003365070 1199506309 /nfs/dbraw/zinc/50/63/09/1199506309.db2.gz GWXMZROGWINUNU-KURKYZTESA-N 0 3 382.464 0.994 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cncnc2)CC1 ZINC001003366895 1199511146 /nfs/dbraw/zinc/51/11/46/1199511146.db2.gz YWEZETOWPRJJMQ-QRVBRYPASA-N 0 3 381.480 0.612 20 30 GCEDHN C=CCCCN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129112643 1200465827 /nfs/dbraw/zinc/46/58/27/1200465827.db2.gz HBHKTRDGEPXWKO-NCOADZHNSA-N 0 3 390.488 0.399 20 30 GCEDHN C=CCCCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@@H](n2ccnn2)C1 ZINC001129122324 1200468640 /nfs/dbraw/zinc/46/86/40/1200468640.db2.gz KMOHTYVFUYAZFI-IECFSIQFSA-N 0 3 375.473 0.637 20 30 GCEDHN N#CCCn1ccc(NC(=O)C(=O)N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)n1 ZINC000425818088 1200667617 /nfs/dbraw/zinc/66/76/17/1200667617.db2.gz WXRBAABSWLWRSQ-ZWKOTPCHSA-N 0 3 392.463 1.468 20 30 GCEDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)C[C@@H]21 ZINC000453917172 1200687103 /nfs/dbraw/zinc/68/71/03/1200687103.db2.gz LWCWYDAWCTWIPA-CJNGLKHVSA-N 0 3 398.854 1.498 20 30 GCEDHN N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)n2)cc1 ZINC000610531479 1200694106 /nfs/dbraw/zinc/69/41/06/1200694106.db2.gz WURREJRVZVOMIX-KRWDZBQOSA-N 0 3 393.451 0.737 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000442338586 1200969105 /nfs/dbraw/zinc/96/91/05/1200969105.db2.gz ZFHZBYUSUJZRTA-AWEZNQCLSA-N 0 3 393.451 1.153 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1 ZINC000545180107 1200969353 /nfs/dbraw/zinc/96/93/53/1200969353.db2.gz NKUYDVLBHJVZJU-CYBMUJFWSA-N 0 3 381.440 0.844 20 30 GCEDHN C[C@@H](CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1CCCC1 ZINC000531158388 1201053040 /nfs/dbraw/zinc/05/30/40/1201053040.db2.gz DKILFWRIWWREFY-AWEZNQCLSA-N 0 3 381.440 0.737 20 30 GCEDHN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000550364555 1201098547 /nfs/dbraw/zinc/09/85/47/1201098547.db2.gz FRMGHNIXTRAYKB-UHFFFAOYSA-N 0 3 389.504 0.635 20 30 GCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000611371173 1201233334 /nfs/dbraw/zinc/23/33/34/1201233334.db2.gz YMKRENWOYVMFRM-PMACEKPBSA-N 0 3 391.560 0.865 20 30 GCEDHN C#CCCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001079137157 1201248384 /nfs/dbraw/zinc/24/83/84/1201248384.db2.gz YDXWXALCQSVFMR-CWJKEVGVSA-N 0 3 385.508 0.803 20 30 GCEDHN C#CCN1CCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079252208 1201250041 /nfs/dbraw/zinc/25/00/41/1201250041.db2.gz DHFOPBPIXHRSSB-XDNAFOTISA-N 0 3 389.496 0.372 20 30 GCEDHN COc1ccc(C#N)cc1CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C ZINC001082739024 1201345930 /nfs/dbraw/zinc/34/59/30/1201345930.db2.gz UGZXHIUKMCLBIC-ZYRRHWMLSA-N 0 3 386.452 0.536 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001084943076 1201502829 /nfs/dbraw/zinc/50/28/29/1201502829.db2.gz FMYBRBAFHICLMP-NCOADZHNSA-N 0 3 390.484 0.442 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@H](C(=O)NCCN2CCOCC2)[C@@H](C)CC)CC1 ZINC000732157292 1201523729 /nfs/dbraw/zinc/52/37/29/1201523729.db2.gz USZNRXFEBWJNRZ-HKUYNNGSSA-N 0 3 392.544 0.311 20 30 GCEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908446 1201567133 /nfs/dbraw/zinc/56/71/33/1201567133.db2.gz LILBQTDWTZLYPF-SWLSCSKDSA-N 0 3 375.406 0.291 20 30 GCEDHN CC(=O)c1cccc(O[C@@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909591 1201567857 /nfs/dbraw/zinc/56/78/57/1201567857.db2.gz DEYDZKYMYFTISA-XJKSGUPXSA-N 0 3 392.433 0.622 20 30 GCEDHN CCCOc1ccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732910825 1201569573 /nfs/dbraw/zinc/56/95/73/1201569573.db2.gz SQINKHGUAGYHEU-MRXNPFEDSA-N 0 3 394.449 0.820 20 30 GCEDHN COc1cccc(CO[C@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732910817 1201569590 /nfs/dbraw/zinc/56/95/90/1201569590.db2.gz SONQNUSICTZMQY-CJNGLKHVSA-N 0 3 394.449 0.566 20 30 GCEDHN C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000733148999 1201576844 /nfs/dbraw/zinc/57/68/44/1201576844.db2.gz SYDQYTBPUZKTSF-HXUWFJFHSA-N 0 3 397.523 0.577 20 30 GCEDHN CN1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccccc3)[C@H](C#N)C1)C2=O ZINC000733994719 1201636633 /nfs/dbraw/zinc/63/66/33/1201636633.db2.gz UHRAPTFTAWFOQM-GOSISDBHSA-N 0 3 396.495 0.670 20 30 GCEDHN COCCN(Cc1ccc(C#N)cc1)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000746050574 1201896922 /nfs/dbraw/zinc/89/69/22/1201896922.db2.gz RGGSEOSHOFODKL-UHFFFAOYSA-N 0 3 385.468 0.980 20 30 GCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCc1ccco1 ZINC001109272615 1202010849 /nfs/dbraw/zinc/01/08/49/1202010849.db2.gz MXJWUJWCWNKJPF-FPAYPSAMSA-N 0 3 376.453 0.919 20 30 GCEDHN CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 ZINC001109720270 1202111396 /nfs/dbraw/zinc/11/13/96/1202111396.db2.gz YXWZLNRTVFPKCR-MMMWYMCRSA-N 0 3 379.480 0.560 20 30 GCEDHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)C(C#N)C(=O)NC2CC2)C1=O ZINC000771581338 1202147951 /nfs/dbraw/zinc/14/79/51/1202147951.db2.gz AGFPHJVYRKBFCG-HXPMCKFVSA-N 0 3 384.392 0.450 20 30 GCEDHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000790215224 1205459491 /nfs/dbraw/zinc/45/94/91/1205459491.db2.gz UQLASDORAAJGIN-HNNXBMFYSA-N 0 3 389.475 0.703 20 30 GCEDHN CN1CCC2(CC1)NC(=O)N(CN1CCN(c3cnccc3C#N)CC1)C2=O ZINC000793673753 1205502452 /nfs/dbraw/zinc/50/24/52/1205502452.db2.gz OEXWACOPFBGULS-UHFFFAOYSA-N 0 3 383.456 0.049 20 30 GCEDHN C[C@H](CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)N1CCCCC1 ZINC000793725151 1205503675 /nfs/dbraw/zinc/50/36/75/1205503675.db2.gz QAMPGEAXARGJGT-MRXNPFEDSA-N 0 3 384.484 0.592 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000804889877 1205527574 /nfs/dbraw/zinc/52/75/74/1205527574.db2.gz JCMJHGOYUBPDFA-QZTJIDSGSA-N 0 3 389.500 0.601 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOC2CCC2)[C@@H](n2ccnn2)C1 ZINC001130009479 1205529383 /nfs/dbraw/zinc/52/93/83/1205529383.db2.gz QWYPZIZTQNRGHS-BDXSIMOUSA-N 0 3 375.473 0.780 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCO[C@H]2C(C)C)[n-]1 ZINC001130212829 1205536832 /nfs/dbraw/zinc/53/68/32/1205536832.db2.gz GDMXNOOUBMAXTD-OVWQWFNUSA-N 0 3 389.500 0.967 20 30 GCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[n-]1 ZINC001130229903 1205538772 /nfs/dbraw/zinc/53/87/72/1205538772.db2.gz HCBBLLXDPAWFLV-DFGXFYAUSA-N 0 3 387.484 0.721 20 30 GCEDHN C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccncc1 ZINC000805813052 1205544534 /nfs/dbraw/zinc/54/45/34/1205544534.db2.gz CLMPKSXZTYLGJF-SFHVURJKSA-N 0 3 399.495 0.582 20 30 GCEDHN CN1CCN(CCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1(C)C ZINC000806787762 1205567412 /nfs/dbraw/zinc/56/74/12/1205567412.db2.gz OKFHLBSWQVVKBF-UHFFFAOYSA-N 0 3 375.448 0.456 20 30 GCEDHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCn3cnc(C#N)n3)cc2)CC1 ZINC000807366606 1205579759 /nfs/dbraw/zinc/57/97/59/1205579759.db2.gz CMQOJVOCQWJSLE-UHFFFAOYSA-N 0 3 396.455 0.047 20 30 GCEDHN C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCCO1 ZINC000807767943 1205589832 /nfs/dbraw/zinc/58/98/32/1205589832.db2.gz XWECJEJPDROIAN-WOJBJXKFSA-N 0 3 399.491 0.557 20 30 GCEDHN Cn1c2[nH]c(N3CCCN(Cc4ccc(C#N)cc4)CC3)nc2c(=O)n(C)c1=O ZINC000809345502 1205623038 /nfs/dbraw/zinc/62/30/38/1205623038.db2.gz CMSDPAXPKNIUAL-UHFFFAOYSA-N 0 3 393.451 0.544 20 30 GCEDHN C#CCN(C(=O)[C@H]1CC[C@@H](Cn2cnc3c2ncnc3N)O1)C1CCN(C)CC1 ZINC001178739412 1205793125 /nfs/dbraw/zinc/79/31/25/1205793125.db2.gz JBINYNVUEPHNBB-JKSUJKDBSA-N 0 3 397.483 0.512 20 30 GCEDHN C#CCN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CCN(C)CC1 ZINC001178739651 1205793188 /nfs/dbraw/zinc/79/31/88/1205793188.db2.gz PCDDPFXHDONWEJ-UHFFFAOYSA-N 0 3 377.466 0.115 20 30 GCEDHN CN1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O ZINC000773982352 1205857739 /nfs/dbraw/zinc/85/77/39/1205857739.db2.gz GWSNXIXCLVKTJD-NXEZZACHSA-N 0 3 388.336 0.492 20 30 GCEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)N[C@@H](C#N)C(N)=O)CC2)C1 ZINC001183162368 1205889123 /nfs/dbraw/zinc/88/91/23/1205889123.db2.gz OXOZYZLXVPOMTO-KBPBESRZSA-N 0 3 379.461 0.201 20 30 GCEDHN COc1ccc(C#N)c(C(=O)n2ccc(=NCCN3CCOCC3)c(N)c2)c1 ZINC001189067150 1205994942 /nfs/dbraw/zinc/99/49/42/1205994942.db2.gz PKUMGDFNDXSEQI-UHFFFAOYSA-N 0 3 381.436 0.872 20 30 GCEDHN C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573285735 946787323 /nfs/dbraw/zinc/78/73/23/946787323.db2.gz MMUABLPOMHZWQU-RISCZKNCSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573285736 946788048 /nfs/dbraw/zinc/78/80/48/946788048.db2.gz MMUABLPOMHZWQU-SMDDNHRTSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CCNC(=O)[C@H](C)[NH2+][C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573285973 946792761 /nfs/dbraw/zinc/79/27/61/946792761.db2.gz QJXAOSDLKHPGFK-GXTWGEPZSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CCNC(=O)[C@H](C)[NH2+][C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573285973 946792766 /nfs/dbraw/zinc/79/27/66/946792766.db2.gz QJXAOSDLKHPGFK-GXTWGEPZSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573286000 946793157 /nfs/dbraw/zinc/79/31/57/946793157.db2.gz RFYOSGFLQULHRK-DOTOQJQBSA-N 0 3 383.456 0.817 20 30 GCEDHN C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573286000 946793166 /nfs/dbraw/zinc/79/31/66/946793166.db2.gz RFYOSGFLQULHRK-DOTOQJQBSA-N 0 3 383.456 0.817 20 30 GCEDHN C#CCOCCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573287236 946833210 /nfs/dbraw/zinc/83/32/10/946833210.db2.gz MLLNCJFYNFLERJ-AWEZNQCLSA-N 0 3 386.431 0.984 20 30 GCEDHN C#CCOCCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573287236 946833216 /nfs/dbraw/zinc/83/32/16/946833216.db2.gz MLLNCJFYNFLERJ-AWEZNQCLSA-N 0 3 386.431 0.984 20 30 GCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOCC1 ZINC001573572093 947108468 /nfs/dbraw/zinc/10/84/68/947108468.db2.gz FBUFFHGTELOFBY-LBPRGKRZSA-N 0 3 387.419 0.920 20 30 GCEDHN C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOCC1 ZINC001573575922 947145602 /nfs/dbraw/zinc/14/56/02/947145602.db2.gz BULDLFWHWGMZSI-LBPRGKRZSA-N 0 3 387.419 0.920 20 30 GCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573310106 947218788 /nfs/dbraw/zinc/21/87/88/947218788.db2.gz UBDXJQSLSCXDID-IFXJQAMLSA-N 0 3 386.456 0.893 20 30 GCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573310106 947218792 /nfs/dbraw/zinc/21/87/92/947218792.db2.gz UBDXJQSLSCXDID-IFXJQAMLSA-N 0 3 386.456 0.893 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001573350597 947600043 /nfs/dbraw/zinc/60/00/43/947600043.db2.gz HERRCSRSUCQABI-ZDUSSCGKSA-N 0 3 381.444 0.800 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001573350597 947600051 /nfs/dbraw/zinc/60/00/51/947600051.db2.gz HERRCSRSUCQABI-ZDUSSCGKSA-N 0 3 381.444 0.800 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)nn1 ZINC001573352079 947626498 /nfs/dbraw/zinc/62/64/98/947626498.db2.gz ZMPOAMAPOBJMMB-LLVKDONJSA-N 0 3 385.407 0.691 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)nn1 ZINC001573352079 947626500 /nfs/dbraw/zinc/62/65/00/947626500.db2.gz ZMPOAMAPOBJMMB-LLVKDONJSA-N 0 3 385.407 0.691 20 30 GCEDHN CC#CCCCC(=O)NCCN1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573359217 947680917 /nfs/dbraw/zinc/68/09/17/947680917.db2.gz XJMSFJCJKDTWSS-UHFFFAOYSA-N 0 3 382.472 0.694 20 30 GCEDHN CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573787838 949187997 /nfs/dbraw/zinc/18/79/97/949187997.db2.gz BTROWAJLDXCEGY-UHFFFAOYSA-N 0 3 388.447 0.966 20 30 GCEDHN Cc1cccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C#N ZINC000261745293 530192257 /nfs/dbraw/zinc/19/22/57/530192257.db2.gz KTMTXAGJBARZCW-AWEZNQCLSA-N 0 3 376.404 0.981 20 30 GCEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000409494859 530229469 /nfs/dbraw/zinc/22/94/69/530229469.db2.gz RYYLGSZOCWASFT-GJZGRUSLSA-N 0 3 375.539 0.395 20 30 GCEDHN COCCN(CCC#N)S(=O)(=O)N1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000409508591 530229675 /nfs/dbraw/zinc/22/96/75/530229675.db2.gz SEXYEDPDJLMROP-HUUCEWRRSA-N 0 3 376.548 0.605 20 30 GCEDHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000551038930 530251611 /nfs/dbraw/zinc/25/16/11/530251611.db2.gz IKTRHZDSEBKIFE-UHFFFAOYSA-N 0 3 383.246 0.690 20 30 GCEDHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288854769 530261709 /nfs/dbraw/zinc/26/17/09/530261709.db2.gz QAXUIOKSMRAAFY-HNNXBMFYSA-N 0 3 383.246 0.688 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000588288962 530342347 /nfs/dbraw/zinc/34/23/47/530342347.db2.gz PZMZITRGHKFFLP-VXGBXAGGSA-N 0 3 385.467 0.929 20 30 GCEDHN C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCC[C@@H](C)C1 ZINC000328658672 530517241 /nfs/dbraw/zinc/51/72/41/530517241.db2.gz RLZJGBUZSQJVLH-HUUCEWRRSA-N 0 3 392.591 0.989 20 30 GCEDHN C=CCN1CC[C@@H](N(C)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1=O ZINC000296208174 530568665 /nfs/dbraw/zinc/56/86/65/530568665.db2.gz WKPVHBXLLZWQAC-GHMZBOCLSA-N 0 3 386.392 0.919 20 30 GCEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)C(C)C ZINC000297002544 530568921 /nfs/dbraw/zinc/56/89/21/530568921.db2.gz GWYQEHDXRXYHST-OAHLLOKOSA-N 0 3 375.539 0.380 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CCSC1 ZINC000329282881 530609775 /nfs/dbraw/zinc/60/97/75/530609775.db2.gz NDGUGHVNGCIWSC-OAHLLOKOSA-N 0 3 378.564 0.599 20 30 GCEDHN CC[C@@H](C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000520428311 530612543 /nfs/dbraw/zinc/61/25/43/530612543.db2.gz QKBZRLILFGCJRN-CYBMUJFWSA-N 0 3 388.515 0.497 20 30 GCEDHN CCS(=O)(=O)NC1CCN(C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000330061776 530625423 /nfs/dbraw/zinc/62/54/23/530625423.db2.gz AHFWGDPMLSLOJA-HNNXBMFYSA-N 0 3 378.564 0.741 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CCSC1 ZINC000330145755 530628049 /nfs/dbraw/zinc/62/80/49/530628049.db2.gz LFGKBSLYZONEQP-HNNXBMFYSA-N 0 3 378.564 0.694 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)cc1 ZINC000580674342 530618139 /nfs/dbraw/zinc/61/81/39/530618139.db2.gz ZGPRMRGQLWSWRY-COPLHBTASA-N 0 3 385.467 0.927 20 30 GCEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329814377 530621474 /nfs/dbraw/zinc/62/14/74/530621474.db2.gz UJQKVZHCCUCPSL-TZMCWYRMSA-N 0 3 376.548 0.351 20 30 GCEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329814376 530621500 /nfs/dbraw/zinc/62/15/00/530621500.db2.gz UJQKVZHCCUCPSL-OCCSQVGLSA-N 0 3 376.548 0.351 20 30 GCEDHN CCN(CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(C)C ZINC000580843694 530751225 /nfs/dbraw/zinc/75/12/25/530751225.db2.gz GOLBIGWQVXFFNH-UHFFFAOYSA-N 0 3 388.515 0.497 20 30 GCEDHN CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)ccn1 ZINC000349504703 530883676 /nfs/dbraw/zinc/88/36/76/530883676.db2.gz QXDLAPWKQKYLKW-UHFFFAOYSA-N 0 3 387.487 0.065 20 30 GCEDHN CN(C)c1cc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)cc[nH+]1 ZINC000349504703 530883678 /nfs/dbraw/zinc/88/36/78/530883678.db2.gz QXDLAPWKQKYLKW-UHFFFAOYSA-N 0 3 387.487 0.065 20 30 GCEDHN C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000349474511 530892417 /nfs/dbraw/zinc/89/24/17/530892417.db2.gz JTSFKJFZNURVQZ-KFWWJZLASA-N 0 3 392.547 0.048 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)c1 ZINC000270449557 531005312 /nfs/dbraw/zinc/00/53/12/531005312.db2.gz JAPUNCYCOWQAFJ-HOTGVXAUSA-N 0 3 381.523 0.716 20 30 GCEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000269870086 531005460 /nfs/dbraw/zinc/00/54/60/531005460.db2.gz YKCYSFCVQMTQHF-CQSZACIVSA-N 0 3 387.527 0.832 20 30 GCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000267053390 531004686 /nfs/dbraw/zinc/00/46/86/531004686.db2.gz AGTAZRNNRMCUBC-QGZVFWFLSA-N 0 3 381.523 0.765 20 30 GCEDHN C#CCN1CCC(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735374415 598931513 /nfs/dbraw/zinc/93/15/13/598931513.db2.gz INSSXHRXMRNZOB-UHFFFAOYSA-N 0 3 391.439 0.461 20 30 GCEDHN C=CC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823909466 607518824 /nfs/dbraw/zinc/51/88/24/607518824.db2.gz FNNWGKDKCRWFCO-UHFFFAOYSA-N 0 3 382.428 0.862 20 30 GCEDHN C=CC[N@H+](CCc1cn(CC(=O)OC)nn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823909466 607518827 /nfs/dbraw/zinc/51/88/27/607518827.db2.gz FNNWGKDKCRWFCO-UHFFFAOYSA-N 0 3 382.428 0.862 20 30 GCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826077173 608021917 /nfs/dbraw/zinc/02/19/17/608021917.db2.gz CGVNCGHMTZTRTP-UHFFFAOYSA-N 0 3 381.400 0.631 20 30 GCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826077173 608021918 /nfs/dbraw/zinc/02/19/18/608021918.db2.gz CGVNCGHMTZTRTP-UHFFFAOYSA-N 0 3 381.400 0.631 20 30 GCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825937969 608036450 /nfs/dbraw/zinc/03/64/50/608036450.db2.gz LSAGGWZHSPUZQT-ZDUSSCGKSA-N 0 3 397.443 0.348 20 30 GCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825937969 608036451 /nfs/dbraw/zinc/03/64/51/608036451.db2.gz LSAGGWZHSPUZQT-ZDUSSCGKSA-N 0 3 397.443 0.348 20 30 GCEDHN CC(C)NC(=O)C(C#N)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000727234238 638742274 /nfs/dbraw/zinc/74/22/74/638742274.db2.gz ZTVWTWVYXNOWQS-QMMMGPOBSA-N 0 3 395.217 0.126 20 30 GCEDHN N#CC(C(=O)COc1ccc(Cl)c(F)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000815946815 641837613 /nfs/dbraw/zinc/83/76/13/641837613.db2.gz GHPGBPZXFWGZDH-NSHDSACASA-N 0 3 388.804 0.824 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(C)CC2)c1 ZINC000106157504 1192351965 /nfs/dbraw/zinc/35/19/65/1192351965.db2.gz AUPIQHLPFIHNGH-UHFFFAOYSA-N 0 3 392.525 0.356 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000279143626 1192472134 /nfs/dbraw/zinc/47/21/34/1192472134.db2.gz DJJFLUDYTWFBSA-UHFFFAOYSA-N 0 3 389.481 0.748 20 30 GCEDHN CN(C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1)C1(C#N)CCCCC1 ZINC000162811424 1192511375 /nfs/dbraw/zinc/51/13/75/1192511375.db2.gz YWQYRDXHUZIINB-QGZVFWFLSA-N 0 3 375.517 0.910 20 30 GCEDHN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3CCN(CC)CC3)c2)C1=O ZINC000274492879 1184076453 /nfs/dbraw/zinc/07/64/53/1184076453.db2.gz RONLPCXXXJNZPE-UHFFFAOYSA-N 0 3 399.451 0.744 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC000969512531 1184333349 /nfs/dbraw/zinc/33/33/49/1184333349.db2.gz OKGFNOQYKGBYJC-YVSFHVDLSA-N 0 3 379.501 0.530 20 30 GCEDHN Cc1ncsc1CN(C)C[C@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000275625414 1184833302 /nfs/dbraw/zinc/83/33/02/1184833302.db2.gz JLFBULBSKKOWAE-CYBMUJFWSA-N 0 3 388.497 0.679 20 30 GCEDHN C=CCNC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001670496727 1184988824 /nfs/dbraw/zinc/98/88/24/1184988824.db2.gz VZZTXUMUOLKVFP-LJIGWXMPSA-N 0 3 378.473 0.298 20 30 GCEDHN CN1CCN(CCCCNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000580686669 1185305879 /nfs/dbraw/zinc/30/58/79/1185305879.db2.gz BWXJRUJLGZILDG-UHFFFAOYSA-N 0 3 385.516 0.812 20 30 GCEDHN C[C@]1(C2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)NC(=O)NC1=O ZINC000610648609 1186093216 /nfs/dbraw/zinc/09/32/16/1186093216.db2.gz YODVALQOHOCHGF-OXQOHEQNSA-N 0 3 386.452 0.802 20 30 GCEDHN Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001707916642 1186274792 /nfs/dbraw/zinc/27/47/92/1186274792.db2.gz KWUDRJVGDUJTLS-JKSUJKDBSA-N 0 3 375.477 0.258 20 30 GCEDHN COCC(C)(C)NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000551712743 1186436950 /nfs/dbraw/zinc/43/69/50/1186436950.db2.gz INHLEHAGDTVITA-UHFFFAOYSA-N 0 3 394.497 0.406 20 30 GCEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000287875627 1186512974 /nfs/dbraw/zinc/51/29/74/1186512974.db2.gz MUWLFKTXRDRNHP-QGZVFWFLSA-N 0 3 384.484 0.592 20 30 GCEDHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@H](C)C1 ZINC001708084785 1186537201 /nfs/dbraw/zinc/53/72/01/1186537201.db2.gz FOYKLKBEQYDJOE-HOTGVXAUSA-N 0 3 389.504 0.877 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 ZINC000264097141 1186581063 /nfs/dbraw/zinc/58/10/63/1186581063.db2.gz BNCBWOTVYKWFTP-UHFFFAOYSA-N 0 3 389.431 0.648 20 30 GCEDHN CCOC(=O)CON=C(C(=O)NC[C@H](C)Cn1ccnc1C)c1ccn[nH]1 ZINC000277953004 1186719361 /nfs/dbraw/zinc/71/93/61/1186719361.db2.gz HFOHYVUMYRXYNX-DOTVFMQRSA-N 0 3 376.417 0.651 20 30 GCEDHN CC(C)[C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000329198930 1186874763 /nfs/dbraw/zinc/87/47/63/1186874763.db2.gz UVBDITOVQTVGCH-SFHVURJKSA-N 0 3 395.548 0.497 20 30 GCEDHN N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000162159747 1187032113 /nfs/dbraw/zinc/03/21/13/1187032113.db2.gz CJGQQUPQGXVQGY-UHFFFAOYSA-N 0 3 394.472 0.767 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@H]1O ZINC001023958380 1187192891 /nfs/dbraw/zinc/19/28/91/1187192891.db2.gz LMUZKBFXHWKPIZ-TVFCKZIOSA-N 0 3 393.528 0.920 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@H]2O)CC1 ZINC001024132000 1187261187 /nfs/dbraw/zinc/26/11/87/1187261187.db2.gz PAYYIBYLWGKEHO-NCXUSEDFSA-N 0 3 375.513 0.702 20 30 GCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000658678166 1187409277 /nfs/dbraw/zinc/40/92/77/1187409277.db2.gz VNZBVXPJGMHDIF-SJORKVTESA-N 0 3 376.501 0.566 20 30 GCEDHN C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000548945724 1187540112 /nfs/dbraw/zinc/54/01/12/1187540112.db2.gz OJCGSUAXTGZVLJ-UHFFFAOYSA-N 0 3 384.488 0.609 20 30 GCEDHN COC(=O)c1cn([C@H]2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)nn1 ZINC000612828361 1187599349 /nfs/dbraw/zinc/59/93/49/1187599349.db2.gz WKTZCHBBXDDQQV-JKSUJKDBSA-N 0 3 385.424 0.817 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)CCNCC2(N3CCOCC3)CCOCC2)nc1 ZINC000580185402 1187675387 /nfs/dbraw/zinc/67/53/87/1187675387.db2.gz IFTKSNKYKVXDCQ-UHFFFAOYSA-N 0 3 394.497 0.198 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001025001490 1187743890 /nfs/dbraw/zinc/74/38/90/1187743890.db2.gz RPAXLPBZISBCAA-VQHPVUNQSA-N 0 3 379.501 0.530 20 30 GCEDHN CCOC(=O)c1c(NC(=O)NC[C@@H]2CNCCO2)c(C#N)cn1CCOC ZINC000415502478 1188094213 /nfs/dbraw/zinc/09/42/13/1188094213.db2.gz XBBLFQXFPVASBM-ZDUSSCGKSA-N 0 3 379.417 0.293 20 30 GCEDHN CC(C)Nc1nc(NCCO)nc(N2CCC(Oc3cccc(C#N)c3)CC2)n1 ZINC000377981364 1189397743 /nfs/dbraw/zinc/39/77/43/1189397743.db2.gz CYOZQPAQETYQQS-UHFFFAOYSA-N 0 3 397.483 0.859 20 30 GCEDHN C#CCN(C(=O)C(=O)NCc1c(C(F)(F)F)cnn1C)C1CCN(C)CC1 ZINC000931056303 1189719121 /nfs/dbraw/zinc/71/91/21/1189719121.db2.gz ADQYNXHCOKPUAE-UHFFFAOYSA-N 0 3 385.390 0.611 20 30 GCEDHN C=CCc1cc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)cc(OC)c1OC ZINC000419353358 1193848945 /nfs/dbraw/zinc/84/89/45/1193848945.db2.gz CBKOWWDRWVHIGU-HNNXBMFYSA-N 0 3 377.441 0.153 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000729046674 1193903643 /nfs/dbraw/zinc/90/36/43/1193903643.db2.gz ULJMSRAIDSIOOY-UHFFFAOYSA-N 0 3 387.488 0.561 20 30 GCEDHN CCC(=O)N[C@@H](C)C(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729071094 1193904035 /nfs/dbraw/zinc/90/40/35/1193904035.db2.gz WPWVRHYFTSRCSE-UWVGGRQHSA-N 0 3 390.352 0.928 20 30 GCEDHN CCS(=O)(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)NCCCOC(C)C)C1 ZINC000729067380 1193904115 /nfs/dbraw/zinc/90/41/15/1193904115.db2.gz FNVJRUJNONDIAS-LSDHHAIUSA-N 0 3 387.502 0.688 20 30 GCEDHN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2(N(C)C)CC2)cc1 ZINC000419796912 1194105059 /nfs/dbraw/zinc/10/50/59/1194105059.db2.gz QKDGALBYNHROHE-UHFFFAOYSA-N 0 3 394.497 0.642 20 30 GCEDHN N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H](N)c3ccccc3)CC2)nc1 ZINC000419923222 1194139277 /nfs/dbraw/zinc/13/92/77/1194139277.db2.gz GDVTXYBOLXBSLW-KRWDZBQOSA-N 0 3 378.436 0.418 20 30 GCEDHN C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419911561 1194142873 /nfs/dbraw/zinc/14/28/73/1194142873.db2.gz JTIDQCGFKNGVDY-HOCLYGCPSA-N 0 3 393.451 0.202 20 30 GCEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)C(C)C ZINC000421742875 1194361821 /nfs/dbraw/zinc/36/18/21/1194361821.db2.gz UBVGEUGMRYABAK-IAGOWNOFSA-N 0 3 381.517 0.800 20 30 GCEDHN C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103893 1194386609 /nfs/dbraw/zinc/38/66/09/1194386609.db2.gz OIBFUQZNEQCZGX-VQIMIIECSA-N 0 3 386.496 0.925 20 30 GCEDHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](N)CCCC#N)CC2)cc1 ZINC000424081222 1194801345 /nfs/dbraw/zinc/80/13/45/1194801345.db2.gz UUEILZAGRNGMSE-QGZVFWFLSA-N 0 3 392.481 0.743 20 30 GCEDHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1=O ZINC000425312881 1194907136 /nfs/dbraw/zinc/90/71/36/1194907136.db2.gz HOCQFJPLNWQZGC-KRWDZBQOSA-N 0 3 387.484 0.533 20 30 GCEDHN N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000515005546 1194936962 /nfs/dbraw/zinc/93/69/62/1194936962.db2.gz VAUQZDLBRMKPPQ-MRXNPFEDSA-N 0 3 380.452 0.926 20 30 GCEDHN N#Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000516180444 1195030508 /nfs/dbraw/zinc/03/05/08/1195030508.db2.gz UQXPURIHGOPPRV-WMZOPIPTSA-N 0 3 393.447 0.891 20 30 GCEDHN CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)C1CC1 ZINC000516195404 1195030566 /nfs/dbraw/zinc/03/05/66/1195030566.db2.gz WEWQRAHHONFADR-MSOLQXFVSA-N 0 3 378.498 0.956 20 30 GCEDHN N#Cc1ccc(-n2ccc(NC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)n2)c(F)c1 ZINC000516195033 1195030694 /nfs/dbraw/zinc/03/06/94/1195030694.db2.gz IBFZQYXKTYDDCQ-OCCSQVGLSA-N 0 3 383.387 0.659 20 30 GCEDHN CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C1CCN(C)CC1 ZINC000516831651 1195102416 /nfs/dbraw/zinc/10/24/16/1195102416.db2.gz LNOPVJRBEJXSOM-UHFFFAOYSA-N 0 3 396.516 0.734 20 30 GCEDHN CN(CC(=O)N(C)[C@H]1CN2CCC1CC2)S(=O)(=O)c1ccc(C#N)cc1 ZINC000517698431 1195208782 /nfs/dbraw/zinc/20/87/82/1195208782.db2.gz YLGQMXCCAZJVFY-KRWDZBQOSA-N 0 3 376.482 0.731 20 30 GCEDHN C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C1CCN(C)CC1 ZINC000517991007 1195235539 /nfs/dbraw/zinc/23/55/39/1195235539.db2.gz VOBCODKBDRNGED-UHFFFAOYSA-N 0 3 398.488 0.575 20 30 GCEDHN C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000519554733 1195439369 /nfs/dbraw/zinc/43/93/69/1195439369.db2.gz YQNGQRIFDBIZDC-ZDUSSCGKSA-N 0 3 392.481 0.863 20 30 GCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)C1=O ZINC000520259354 1195610994 /nfs/dbraw/zinc/61/09/94/1195610994.db2.gz DCKCKQJYWLYXQA-ZWKOTPCHSA-N 0 3 386.496 0.521 20 30 GCEDHN C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000331135770 1195720907 /nfs/dbraw/zinc/72/09/07/1195720907.db2.gz PZJUUYLCYBVGAO-NEPJUHHUSA-N 0 3 393.410 0.206 20 30 GCEDHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000331230282 1195722321 /nfs/dbraw/zinc/72/23/21/1195722321.db2.gz PTCSOUJWFNHAIM-OAHLLOKOSA-N 0 3 383.537 0.230 20 30 GCEDHN CNS(=O)(=O)c1cccc(NC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000331294020 1195727904 /nfs/dbraw/zinc/72/79/04/1195727904.db2.gz LYFKDNDEIPHPQL-UHFFFAOYSA-N 0 3 383.518 0.947 20 30 GCEDHN N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)C2=O)cc1 ZINC000574823128 1195815786 /nfs/dbraw/zinc/81/57/86/1195815786.db2.gz ISQHCWXAWGVFQR-BBWFWOEESA-N 0 3 396.451 0.007 20 30 GCEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1=O ZINC000330120245 1196254063 /nfs/dbraw/zinc/25/40/63/1196254063.db2.gz GFXSSCVPSJQOFW-FPCVCCKLSA-N 0 3 377.489 0.148 20 30 GCEDHN CC(C)CN1CCO[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000330123981 1196254435 /nfs/dbraw/zinc/25/44/35/1196254435.db2.gz AYWAXBMFEZDCDG-QZTJIDSGSA-N 0 3 395.548 0.496 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCOCC3)C2)CC1 ZINC000330222614 1196260352 /nfs/dbraw/zinc/26/03/52/1196260352.db2.gz MOSDOWBSQMJANO-IAGOWNOFSA-N 0 3 394.516 0.867 20 30 GCEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000330257594 1196261861 /nfs/dbraw/zinc/26/18/61/1196261861.db2.gz LQRGODTVIQUFGO-GJZGRUSLSA-N 0 3 388.534 0.510 20 30 GCEDHN C=CCN1CC[C@H](N(C)CCOCCN(C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281321465 1196289431 /nfs/dbraw/zinc/28/94/31/1196289431.db2.gz LEWHEVXQAZTOJB-ROUUACIJSA-N 0 3 378.517 0.440 20 30 GCEDHN COc1cc(C#N)ccc1OCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487498275 1196469504 /nfs/dbraw/zinc/46/95/04/1196469504.db2.gz FBGVONYKVGEMRU-UHFFFAOYSA-N 0 3 386.452 0.712 20 30 GCEDHN C=CCN(C)CCN(CC)CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 ZINC000429712818 1196692544 /nfs/dbraw/zinc/69/25/44/1196692544.db2.gz CHATXLPUDJQNDA-INIZCTEOSA-N 0 3 397.545 0.929 20 30 GCEDHN Cn1cc(C(N)=O)cc1C(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000447239236 1196701624 /nfs/dbraw/zinc/70/16/24/1196701624.db2.gz ROXPWUXFCNZYSL-LBPRGKRZSA-N 0 3 376.380 0.547 20 30 GCEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447903149 1196755856 /nfs/dbraw/zinc/75/58/56/1196755856.db2.gz GSDQGIFMQOPFLH-XHSDSOJGSA-N 0 3 378.498 0.586 20 30 GCEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000528491239 1196865085 /nfs/dbraw/zinc/86/50/85/1196865085.db2.gz PUSUJGKZQVRKPH-HNNXBMFYSA-N 0 3 384.440 0.513 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000451681558 1197010088 /nfs/dbraw/zinc/01/00/88/1197010088.db2.gz OQHRPKMHFKCAHN-NXOAAHMSSA-N 0 3 386.514 0.504 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC2)o1 ZINC000451690951 1197010567 /nfs/dbraw/zinc/01/05/67/1197010567.db2.gz ARRFPPYNIKGFRP-BRWVUGGUSA-N 0 3 387.484 0.986 20 30 GCEDHN C#Cc1cccc(NC(=O)NC(=O)CN(C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC001168133853 1197029037 /nfs/dbraw/zinc/02/90/37/1197029037.db2.gz GLFLJKYXMBQNSI-UHFFFAOYSA-N 0 3 392.481 0.672 20 30 GCEDHN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC000452382251 1197054878 /nfs/dbraw/zinc/05/48/78/1197054878.db2.gz LXGBJNQXOOEHRH-ZBFHGGJFSA-N 0 3 394.497 0.188 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(C)n2)CC1 ZINC000453636063 1197115172 /nfs/dbraw/zinc/11/51/72/1197115172.db2.gz MGBZJONRHQTYAN-UHFFFAOYSA-N 0 3 386.456 0.213 20 30 GCEDHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(C[C@@H]3CNc4c(C#N)cnn4C3)C2)no1 ZINC000532530778 1197324973 /nfs/dbraw/zinc/32/49/73/1197324973.db2.gz NYVIWCUBEWOEDM-GOEBONIOSA-N 0 3 398.471 0.865 20 30 GCEDHN Cc1cc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)n(CCC#N)n1 ZINC000533457131 1197452280 /nfs/dbraw/zinc/45/22/80/1197452280.db2.gz AJNSNQQXTHNYQI-OAHLLOKOSA-N 0 3 376.461 0.613 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000554248779 1199048289 /nfs/dbraw/zinc/04/82/89/1199048289.db2.gz VLQYNYOAPHVKSO-GOSISDBHSA-N 0 3 394.479 0.845 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672355182 1199216794 /nfs/dbraw/zinc/21/67/94/1199216794.db2.gz RVWJNAXZDFJRKE-MRXNPFEDSA-N 0 3 399.495 0.247 20 30 GCEDHN Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000114739792 1199422841 /nfs/dbraw/zinc/42/28/41/1199422841.db2.gz VYSBRMQECBVLKD-UHFFFAOYSA-N 0 3 376.482 0.795 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccc(C)n2)CC1 ZINC001003365190 1199509303 /nfs/dbraw/zinc/50/93/03/1199509303.db2.gz IIRAJYZUYQVPPD-KURKYZTESA-N 0 3 381.480 0.992 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C)ncn2)CC1 ZINC001003362863 1199510745 /nfs/dbraw/zinc/51/07/45/1199510745.db2.gz GXWWOLZEPNKXHP-LMMKCTJWSA-N 0 3 381.480 0.992 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnc(C)cn2)CC1 ZINC001003362665 1199510981 /nfs/dbraw/zinc/51/09/81/1199510981.db2.gz DFFXEXXYDCQDIJ-LMMKCTJWSA-N 0 3 381.480 0.992 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2nccnc2N)CC1 ZINC001003363087 1199511014 /nfs/dbraw/zinc/51/10/14/1199511014.db2.gz KRAWLJNIZZKKLK-OAGGEKHMSA-N 0 3 382.468 0.266 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000164708250 1200165712 /nfs/dbraw/zinc/16/57/12/1200165712.db2.gz CWVCSBLOZUPRAA-KRWDZBQOSA-N 0 3 394.472 0.766 20 30 GCEDHN C=CCCCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129263016 1200594004 /nfs/dbraw/zinc/59/40/04/1200594004.db2.gz YKGCZNXRUDDYQE-LTIDMASMSA-N 0 3 390.488 0.399 20 30 GCEDHN C[NH2+]CCCc1[nH]nc([N-]C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1C#N ZINC000536305790 1200727819 /nfs/dbraw/zinc/72/78/19/1200727819.db2.gz YDRJFQYXFXKMSY-UHFFFAOYSA-N 0 3 394.457 0.837 20 30 GCEDHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460585484 1200899682 /nfs/dbraw/zinc/89/96/82/1200899682.db2.gz UKQWIAIGJMAGEF-HNNXBMFYSA-N 0 3 381.440 0.986 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923274333 1200919136 /nfs/dbraw/zinc/91/91/36/1200919136.db2.gz LNQPMNIMYDZLPF-IMJJTQAJSA-N 0 3 376.482 0.920 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000546607919 1200971352 /nfs/dbraw/zinc/97/13/52/1200971352.db2.gz GOSKJXMRRHPDDK-OAHLLOKOSA-N 0 3 381.440 0.796 20 30 GCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCN(C[C@H]3CCCO3)CC2)CC1 ZINC000611371174 1201233354 /nfs/dbraw/zinc/23/33/54/1201233354.db2.gz YMKRENWOYVMFRM-UXHICEINSA-N 0 3 391.560 0.865 20 30 GCEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000611530860 1201244321 /nfs/dbraw/zinc/24/43/21/1201244321.db2.gz SQEONYNFVMSZQK-LJQANCHMSA-N 0 3 389.496 0.651 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1C 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HEOUZNZLBXMDLK-MSOLQXFVSA-N 0 3 379.482 0.415 20 30 GCEDHN N#C[C@@H]1COCCN1CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000742167388 1201790343 /nfs/dbraw/zinc/79/03/43/1201790343.db2.gz FHQRZCNAANTAJL-YLJYHZDGSA-N 0 3 383.452 0.755 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 ZINC000742289987 1201794945 /nfs/dbraw/zinc/79/49/45/1201794945.db2.gz CUEPXECIOABDLL-UHFFFAOYSA-N 0 3 382.461 0.872 20 30 GCEDHN COCCN(C)CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742619191 1201802943 /nfs/dbraw/zinc/80/29/43/1201802943.db2.gz PTMIMXKZODURJH-CYBMUJFWSA-N 0 3 382.486 0.198 20 30 GCEDHN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCN1CCN(CC)CC1 ZINC000743884011 1201825442 /nfs/dbraw/zinc/82/54/42/1201825442.db2.gz OLHHYTDENQJZDK-UHFFFAOYSA-N 0 3 376.432 0.530 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000766866058 1201958375 /nfs/dbraw/zinc/95/83/75/1201958375.db2.gz ATKLLNPIZHEOPO-MRXNPFEDSA-N 0 3 385.472 0.313 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 ZINC000766889594 1201960362 /nfs/dbraw/zinc/96/03/62/1201960362.db2.gz SPGOJQAJTXOLQI-INIZCTEOSA-N 0 3 385.472 0.313 20 30 GCEDHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)C(C#N)C(=O)NC(C)C)C1=O ZINC000771577096 1202147433 /nfs/dbraw/zinc/14/74/33/1202147433.db2.gz AORDMIPSNRYUCB-BUXKBTBVSA-N 0 3 386.408 0.696 20 30 GCEDHN CN(C)[C@]1(CNC(=O)C(=O)NCCNc2ncccc2C#N)CCSC1 ZINC000788246799 1205417515 /nfs/dbraw/zinc/41/75/15/1205417515.db2.gz STEVIAKMMDJWDZ-KRWDZBQOSA-N 0 3 376.486 0.035 20 30 GCEDHN CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H](Oc3ccc(C#N)cn3)C1)C2=O ZINC000793606091 1205500933 /nfs/dbraw/zinc/50/09/33/1205500933.db2.gz HHNMYPXNTCIAGL-OAHLLOKOSA-N 0 3 384.440 0.380 20 30 GCEDHN C#CCNc1nc(N2CCN(CC)[C@H](C)C2)nc(N2CCN(CC)[C@H](C)C2)n1 ZINC000804574072 1205518303 /nfs/dbraw/zinc/51/83/03/1205518303.db2.gz KAVWEZMPWZQYRN-IAGOWNOFSA-N 0 3 386.548 0.399 20 30 GCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@@H]1n1ccnn1 ZINC001129930341 1205525643 /nfs/dbraw/zinc/52/56/43/1205525643.db2.gz DPTGVBORLNKDOB-NTDBWNAOSA-N 0 3 375.473 0.781 20 30 GCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C[C@@H]1n1ccnn1 ZINC001130014920 1205528394 /nfs/dbraw/zinc/52/83/94/1205528394.db2.gz HHKVTZSNHBNOLX-MLHJIOFPSA-N 0 3 385.472 0.359 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2OCC[C@H]2C(C)C)[n-]1 ZINC001130212774 1205536706 /nfs/dbraw/zinc/53/67/06/1205536706.db2.gz CMDKBXAPXVHBRY-JKQORVJESA-N 0 3 375.473 0.577 20 30 GCEDHN C=CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccncc1 ZINC000805806612 1205544573 /nfs/dbraw/zinc/54/45/73/1205544573.db2.gz RWOBKEYIWLOABP-MSOLQXFVSA-N 0 3 399.495 0.580 20 30 GCEDHN C=CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccncc1 ZINC000805806613 1205544614 /nfs/dbraw/zinc/54/46/14/1205544614.db2.gz RWOBKEYIWLOABP-QZTJIDSGSA-N 0 3 399.495 0.580 20 30 GCEDHN C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)ccc1F ZINC000808157894 1205600675 /nfs/dbraw/zinc/60/06/75/1205600675.db2.gz RACTYSHUFHJGTH-CABCVRRESA-N 0 3 397.472 0.571 20 30 GCEDHN COCCN(C)CCN1C[C@@H](NC(=O)C#Cc2ccc3c(c2)OCO3)CC1=O ZINC000808269359 1205604739 /nfs/dbraw/zinc/60/47/39/1205604739.db2.gz IUCXHUDQYFHNAO-INIZCTEOSA-N 0 3 387.436 0.062 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000808900574 1205613338 /nfs/dbraw/zinc/61/33/38/1205613338.db2.gz UCVKINOCRUQJRM-UFYCRDLUSA-N 0 3 399.491 0.691 20 30 GCEDHN C[C@@H]1CC[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3NCC(=O)NCC#N)CC2)O1 ZINC001131567365 1205618445 /nfs/dbraw/zinc/61/84/45/1205618445.db2.gz HPCADPYDWDVXFX-IIVZCXTMSA-N 0 3 378.473 0.179 20 30 GCEDHN C#C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000809305546 1205621425 /nfs/dbraw/zinc/62/14/25/1205621425.db2.gz FKCVTHTVACCEFV-RTBURBONSA-N 0 3 382.464 0.745 20 30 GCEDHN C#C[C@@H](NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000809306611 1205621496 /nfs/dbraw/zinc/62/14/96/1205621496.db2.gz SPESMQMIPUMMOG-UXHICEINSA-N 0 3 398.507 0.844 20 30 GCEDHN NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCNC(=O)C1N=CC=CC1=O)CCC2 ZINC000810225564 1205635201 /nfs/dbraw/zinc/63/52/01/1205635201.db2.gz HLIOWMAGDWHWEH-DVEDPGPFSA-N 0 3 390.465 0.827 20 30 GCEDHN C#CCN1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000747621781 1205640526 /nfs/dbraw/zinc/64/05/26/1205640526.db2.gz WDWVUYGXIHWYOQ-UHFFFAOYSA-N 0 3 391.493 0.991 20 30 GCEDHN Cn1cc(C(=O)NC[C@@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cn1 ZINC001175202162 1205735651 /nfs/dbraw/zinc/73/56/51/1205735651.db2.gz CPSLHCFUFQEUBU-IRXDYDNUSA-N 0 3 375.473 0.686 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001187951355 1205972111 /nfs/dbraw/zinc/97/21/11/1205972111.db2.gz BTNHLJWSTSZFEV-MANSERQUSA-N 0 3 379.501 0.653 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573284871 946760554 /nfs/dbraw/zinc/76/05/54/946760554.db2.gz AAXODWTWMLEBQT-WMZOPIPTSA-N 0 3 381.484 0.949 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573284871 946760557 /nfs/dbraw/zinc/76/05/57/946760557.db2.gz AAXODWTWMLEBQT-WMZOPIPTSA-N 0 3 381.484 0.949 20 30 GCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573286137 946796676 /nfs/dbraw/zinc/79/66/76/946796676.db2.gz UQWCMRXPZSZECL-PBFPGSCMSA-N 0 3 386.431 0.981 20 30 GCEDHN C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573286137 946796682 /nfs/dbraw/zinc/79/66/82/946796682.db2.gz UQWCMRXPZSZECL-PBFPGSCMSA-N 0 3 386.431 0.981 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001573287808 946846465 /nfs/dbraw/zinc/84/64/65/946846465.db2.gz LDIYXWCMQPVANX-KRWDZBQOSA-N 0 3 376.420 0.729 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001573287808 946846473 /nfs/dbraw/zinc/84/64/73/946846473.db2.gz LDIYXWCMQPVANX-KRWDZBQOSA-N 0 3 376.420 0.729 20 30 GCEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561826 946966305 /nfs/dbraw/zinc/96/63/05/946966305.db2.gz NRLHQOXMYTYUJC-WCQYABFASA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561826 946966316 /nfs/dbraw/zinc/96/63/16/946966316.db2.gz NRLHQOXMYTYUJC-WCQYABFASA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573564878 946999149 /nfs/dbraw/zinc/99/91/49/946999149.db2.gz MMYBZKKNJROBSD-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573564878 946999154 /nfs/dbraw/zinc/99/91/54/946999154.db2.gz MMYBZKKNJROBSD-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573564878 946999159 /nfs/dbraw/zinc/99/91/59/946999159.db2.gz MMYBZKKNJROBSD-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573564878 946999165 /nfs/dbraw/zinc/99/91/65/946999165.db2.gz MMYBZKKNJROBSD-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573564914 947000324 /nfs/dbraw/zinc/00/03/24/947000324.db2.gz MVHYVNDRVUXJRQ-LBPRGKRZSA-N 0 3 387.419 0.609 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)nn1 ZINC001573352081 947626196 /nfs/dbraw/zinc/62/61/96/947626196.db2.gz ZMPOAMAPOBJMMB-NSHDSACASA-N 0 3 385.407 0.691 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)nn1 ZINC001573352081 947626201 /nfs/dbraw/zinc/62/62/01/947626201.db2.gz ZMPOAMAPOBJMMB-NSHDSACASA-N 0 3 385.407 0.691 20 30 GCEDHN COCCN(CCC#N)S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000409501113 530229703 /nfs/dbraw/zinc/22/97/03/530229703.db2.gz MAFWEGTZUCMHIG-UHFFFAOYSA-N 0 3 375.539 0.051 20 30 GCEDHN CN1CCC(O)(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000287401249 530237267 /nfs/dbraw/zinc/23/72/67/530237267.db2.gz ABWODKURNQMZMX-UHFFFAOYSA-N 0 3 395.257 0.832 20 30 GCEDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cc(Br)ccc1C#N ZINC000550435709 530248097 /nfs/dbraw/zinc/24/80/97/530248097.db2.gz RZWIDKJBKAPFKE-CYBMUJFWSA-N 0 3 376.276 0.912 20 30 GCEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000584183484 530360090 /nfs/dbraw/zinc/36/00/90/530360090.db2.gz JXDIILGVYDTPHV-DGCLKSJQSA-N 0 3 399.270 0.253 20 30 GCEDHN CN(C)[C@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCSC1 ZINC000290401463 530364669 /nfs/dbraw/zinc/36/46/69/530364669.db2.gz OSKULBZAOFUAQI-INIZCTEOSA-N 0 3 382.511 0.390 20 30 GCEDHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000291498361 530492850 /nfs/dbraw/zinc/49/28/50/530492850.db2.gz RVDDXSZGVTVLLT-LSDHHAIUSA-N 0 3 382.511 0.341 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000328691315 530517575 /nfs/dbraw/zinc/51/75/75/530517575.db2.gz REXCMPMTMPWDSX-OAHLLOKOSA-N 0 3 378.564 0.599 20 30 GCEDHN CC[C@@H]1CCCCN1CCNC(=O)N1CCC(NS(=O)(=O)NC)CC1 ZINC000331337501 530546406 /nfs/dbraw/zinc/54/64/06/530546406.db2.gz JESGITFXKAXGLR-OAHLLOKOSA-N 0 3 375.539 0.683 20 30 GCEDHN CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CCN(C)C1 ZINC000566488181 530530675 /nfs/dbraw/zinc/53/06/75/530530675.db2.gz NJAWJCZKEPTLAR-ZDUSSCGKSA-N 0 3 386.499 0.061 20 30 GCEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)C(C)C ZINC000297029201 530569109 /nfs/dbraw/zinc/56/91/09/530569109.db2.gz ITQSGMLDTWFYQF-HNNXBMFYSA-N 0 3 376.523 0.289 20 30 GCEDHN CN(C[C@H]1CCCN(C)C1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329323913 530610434 /nfs/dbraw/zinc/61/04/34/530610434.db2.gz HTIHWEWRVHZPJR-AWEZNQCLSA-N 0 3 378.564 0.553 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000329975096 530623397 /nfs/dbraw/zinc/62/33/97/530623397.db2.gz ZNUFCHUABWIZRD-OAHLLOKOSA-N 0 3 378.564 0.694 20 30 GCEDHN CN(C)[C@]1(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCSC1 ZINC000330057593 530624990 /nfs/dbraw/zinc/62/49/90/530624990.db2.gz XSXSSMCLDVNYCT-WWGRRREGSA-N 0 3 389.543 0.416 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCSC1 ZINC000330138890 530627270 /nfs/dbraw/zinc/62/72/70/530627270.db2.gz IOCXDOPDOKXFOD-HIFRSBDPSA-N 0 3 378.564 0.599 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CCSC1 ZINC000330145756 530627484 /nfs/dbraw/zinc/62/74/84/530627484.db2.gz LFGKBSLYZONEQP-OAHLLOKOSA-N 0 3 378.564 0.694 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000349463936 530640631 /nfs/dbraw/zinc/64/06/31/530640631.db2.gz CACGKFVVMFHIGR-ZNMIVQPWSA-N 0 3 392.547 0.096 20 30 GCEDHN C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349477654 530647326 /nfs/dbraw/zinc/64/73/26/530647326.db2.gz JBFYWDZJXAHOIL-CABCVRRESA-N 0 3 392.547 0.050 20 30 GCEDHN C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349477656 530647619 /nfs/dbraw/zinc/64/76/19/530647619.db2.gz JBFYWDZJXAHOIL-HUUCEWRRSA-N 0 3 392.547 0.050 20 30 GCEDHN CN1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000556066171 530930266 /nfs/dbraw/zinc/93/02/66/530930266.db2.gz YOMAVOUOIOIHSO-HNNXBMFYSA-N 0 3 381.230 0.442 20 30 GCEDHN Nc1c(-c2nnn[n-]2)c(CCCNC2=[NH+]CCCN2)nn1-c1ccc(F)cc1 ZINC000737769124 598537901 /nfs/dbraw/zinc/53/79/01/598537901.db2.gz FNOUATMRSSZTRA-UHFFFAOYSA-N 0 3 384.423 0.645 20 30 GCEDHN C#CCNC(=O)C1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)CC1 ZINC000823850337 607922170 /nfs/dbraw/zinc/92/21/70/607922170.db2.gz NURITRCRTJDFQO-UHFFFAOYSA-N 0 3 382.424 0.615 20 30 GCEDHN N#CC(C(=O)COc1ccc(F)cc1Cl)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908898 639815060 /nfs/dbraw/zinc/81/50/60/639815060.db2.gz UFCKFFIBQCDWJP-LLVKDONJSA-N 0 3 388.804 0.824 20 30 GCEDHN Cc1ccc(Cl)c(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909737 639815137 /nfs/dbraw/zinc/81/51/37/639815137.db2.gz FZGXRTLREACDLU-GFCCVEGCSA-N 0 3 384.841 0.993 20 30 GCEDHN Cc1ccc(Cl)c(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909738 639815187 /nfs/dbraw/zinc/81/51/87/639815187.db2.gz FZGXRTLREACDLU-LBPRGKRZSA-N 0 3 384.841 0.993 20 30 GCEDHN C=C(Cl)C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000876550921 641566592 /nfs/dbraw/zinc/56/65/92/641566592.db2.gz HOAYGQQKGBQEFH-OAHLLOKOSA-N 0 3 387.889 0.998 20 30 GCEDHN C=C(Cl)C[C@H](N)C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000876752901 641569539 /nfs/dbraw/zinc/56/95/39/641569539.db2.gz CQHMEFBFPXNGMZ-ZDUSSCGKSA-N 0 3 386.905 0.713 20 30 GCEDHN C=C(Br)CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000804261664 641632640 /nfs/dbraw/zinc/63/26/40/641632640.db2.gz SMVSILPPLHPECC-LBPRGKRZSA-N 0 3 389.294 0.070 20 30 GCEDHN C#C[C@@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccnc(N(C)C)c1 ZINC000848960434 642581390 /nfs/dbraw/zinc/58/13/90/642581390.db2.gz AXIAZKQINAPJHX-CYBMUJFWSA-N 0 3 388.515 0.563 20 30 GCEDHN CN1CCC(CNS(=O)(=O)c2ccc(F)c(C#N)c2)(N2CCOCC2)CC1 ZINC000569213087 1192368871 /nfs/dbraw/zinc/36/88/71/1192368871.db2.gz JMQSHTLELOZRRU-UHFFFAOYSA-N 0 3 396.488 0.772 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC000981629449 1192453939 /nfs/dbraw/zinc/45/39/39/1192453939.db2.gz DNQHJQLBZHSTNJ-DKKFBQAASA-N 0 3 391.512 0.537 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC000969512609 1184333560 /nfs/dbraw/zinc/33/35/60/1184333560.db2.gz RPAXLPBZISBCAA-NCOADZHNSA-N 0 3 379.501 0.530 20 30 GCEDHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC3(CC#N)CC3)ccc2oc1=O ZINC000430373586 1184623618 /nfs/dbraw/zinc/62/36/18/1184623618.db2.gz FPHUMHCCQPZGBK-UHFFFAOYSA-N 0 3 385.424 0.905 20 30 GCEDHN CN(C)Cc1cccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c1 ZINC000275613986 1184821804 /nfs/dbraw/zinc/82/18/04/1184821804.db2.gz IPNDOYACEUQULK-UHFFFAOYSA-N 0 3 387.484 0.761 20 30 GCEDHN COCCN(CCN(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609189204 1184884333 /nfs/dbraw/zinc/88/43/33/1184884333.db2.gz LPJHUVXDQIOSGZ-UHFFFAOYSA-N 0 3 382.486 0.215 20 30 GCEDHN C=CCc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(OC)c1OC ZINC000580785811 1185360782 /nfs/dbraw/zinc/36/07/82/1185360782.db2.gz PBCRCWVHSYCICI-JKSUJKDBSA-N 0 3 388.468 0.886 20 30 GCEDHN C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N(C)CCCc1[nH]nc(N)c1C#N ZINC000121470828 1185901021 /nfs/dbraw/zinc/90/10/21/1185901021.db2.gz QIWBGEUKOYJVQK-QMMMGPOBSA-N 0 3 375.355 0.505 20 30 GCEDHN C[C@@]1(C2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)NC(=O)NC1=O ZINC000610648607 1186093150 /nfs/dbraw/zinc/09/31/50/1186093150.db2.gz YODVALQOHOCHGF-JXFKEZNVSA-N 0 3 386.452 0.802 20 30 GCEDHN C[C@@]1(C2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)NC(=O)NC1=O ZINC000610648610 1186093229 /nfs/dbraw/zinc/09/32/29/1186093229.db2.gz YODVALQOHOCHGF-UZLBHIALSA-N 0 3 386.452 0.802 20 30 GCEDHN COc1cccc(/C=c2\sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)n1 ZINC000276932507 1186159598 /nfs/dbraw/zinc/15/95/98/1186159598.db2.gz RFZVPDXJXNDXPG-YBEGLDIGSA-N 0 3 381.461 0.607 20 30 GCEDHN COC1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000610811545 1186229317 /nfs/dbraw/zinc/22/93/17/1186229317.db2.gz UABZNUAEETXSSC-CQSZACIVSA-N 0 3 394.497 0.452 20 30 GCEDHN Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001707916639 1186275128 /nfs/dbraw/zinc/27/51/28/1186275128.db2.gz KWUDRJVGDUJTLS-CVEARBPZSA-N 0 3 375.477 0.258 20 30 GCEDHN Cn1c(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(C#N)c(=O)n(C)c1=O ZINC000277283635 1186317543 /nfs/dbraw/zinc/31/75/43/1186317543.db2.gz ZADDLMDTUPSQHV-INIZCTEOSA-N 0 3 383.452 0.659 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000582072065 1186396960 /nfs/dbraw/zinc/39/69/60/1186396960.db2.gz LNQPMNIMYDZLPF-CWRNSKLLSA-N 0 3 376.482 0.920 20 30 GCEDHN CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 ZINC001708084786 1186537323 /nfs/dbraw/zinc/53/73/23/1186537323.db2.gz FOYKLKBEQYDJOE-HZPDHXFCSA-N 0 3 389.504 0.877 20 30 GCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000152939749 1186588910 /nfs/dbraw/zinc/58/89/10/1186588910.db2.gz BYVXDZLWMAYBPJ-UHFFFAOYSA-N 0 3 384.488 0.996 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000582731312 1186630668 /nfs/dbraw/zinc/63/06/68/1186630668.db2.gz AHHBFOPYEVDZOG-AWEZNQCLSA-N 0 3 383.456 0.606 20 30 GCEDHN C#CCOCCNC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000785157005 1186726722 /nfs/dbraw/zinc/72/67/22/1186726722.db2.gz LMENJHXGLHWWCP-UHFFFAOYSA-N 0 3 375.494 0.982 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000248151186 1186804125 /nfs/dbraw/zinc/80/41/25/1186804125.db2.gz QUQPPQJZZWSQFZ-KCQAQPDRSA-N 0 3 376.482 0.966 20 30 GCEDHN CN1CCC(CNS(=O)(=O)c2ccc(C#N)c(F)c2)(N2CCOCC2)CC1 ZINC000583553767 1186885102 /nfs/dbraw/zinc/88/51/02/1186885102.db2.gz UOOFACVUISWXMF-UHFFFAOYSA-N 0 3 396.488 0.772 20 30 GCEDHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000329326804 1186914920 /nfs/dbraw/zinc/91/49/20/1186914920.db2.gz WVTTWQBWLPJSTR-CQSZACIVSA-N 0 3 397.501 0.748 20 30 GCEDHN CN1CCN(C)[C@H](CNc2nc(NC[C@H]3CN(C)CCN3C)ccc2C#N)C1 ZINC000278381447 1186921774 /nfs/dbraw/zinc/92/17/74/1186921774.db2.gz LONKIPPECJUEQH-ZWKOTPCHSA-N 0 3 386.548 0.269 20 30 GCEDHN CN1CCN(C)[C@H](CNc2ccc(C#N)c(NC[C@H]3CN(C)CCN3C)n2)C1 ZINC000278381441 1186922090 /nfs/dbraw/zinc/92/20/90/1186922090.db2.gz LONKIPPECJUEQH-MSOLQXFVSA-N 0 3 386.548 0.269 20 30 GCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000584044377 1186989118 /nfs/dbraw/zinc/98/91/18/1186989118.db2.gz WHMCKGKPHBOWCR-GOSISDBHSA-N 0 3 379.482 0.337 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccco3)C[C@H]2O)CC1 ZINC001024131359 1187260934 /nfs/dbraw/zinc/26/09/34/1187260934.db2.gz HGSCGQVZPIKLLF-BRSBDYLESA-N 0 3 385.464 0.416 20 30 GCEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000658535289 1187336955 /nfs/dbraw/zinc/33/69/55/1187336955.db2.gz ICSLUMGNXVGCGQ-KRWDZBQOSA-N 0 3 378.517 0.814 20 30 GCEDHN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1NCCc2ccccc21 ZINC000375990233 1187529545 /nfs/dbraw/zinc/52/95/45/1187529545.db2.gz KMZKOKIGHRCTGO-INIZCTEOSA-N 0 3 384.461 0.728 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000613102951 1187663606 /nfs/dbraw/zinc/66/36/06/1187663606.db2.gz JSDSYIXUHSQIIE-INIZCTEOSA-N 0 3 393.451 0.986 20 30 GCEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1sccc1C#N ZINC000293124881 1187915118 /nfs/dbraw/zinc/91/51/18/1187915118.db2.gz QNDSHQMGGLXKBF-CYBMUJFWSA-N 0 3 377.470 0.617 20 30 GCEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377604415 1188087132 /nfs/dbraw/zinc/08/71/32/1188087132.db2.gz RNHXBYWZLKPSSD-YJBOKZPZSA-N 0 3 387.459 0.732 20 30 GCEDHN COCCCN(C)CCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000377952529 1189384644 /nfs/dbraw/zinc/38/46/44/1189384644.db2.gz VFZOZCCPCSLFAM-UHFFFAOYSA-N 0 3 385.428 0.162 20 30 GCEDHN C=CCn1c(-c2ncccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000417452186 1189669699 /nfs/dbraw/zinc/66/96/99/1189669699.db2.gz CQHJFYLMZNBTPS-UHFFFAOYSA-N 0 3 382.472 0.666 20 30 GCEDHN C=C(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000909330477 1189807417 /nfs/dbraw/zinc/80/74/17/1189807417.db2.gz DPWBLJILSJACOI-AWEZNQCLSA-N 0 3 386.460 0.647 20 30 GCEDHN C=C(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000909330460 1189807534 /nfs/dbraw/zinc/80/75/34/1189807534.db2.gz HYZUKPKEPTWGJX-UHFFFAOYSA-N 0 3 386.460 0.649 20 30 GCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC000664016922 1193756087 /nfs/dbraw/zinc/75/60/87/1193756087.db2.gz SRMDQGPRUGIUCS-UHFFFAOYSA-N 0 3 396.517 0.466 20 30 GCEDHN C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262828727 1193956754 /nfs/dbraw/zinc/95/67/54/1193956754.db2.gz QZQRUZDTJKAFQY-UHFFFAOYSA-N 0 3 399.451 0.748 20 30 GCEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419911559 1194142855 /nfs/dbraw/zinc/14/28/55/1194142855.db2.gz JTIDQCGFKNGVDY-GDBMZVCRSA-N 0 3 393.451 0.202 20 30 GCEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000420037137 1194165405 /nfs/dbraw/zinc/16/54/05/1194165405.db2.gz LSKBHVSBIHKSDF-CGTJXYLNSA-N 0 3 399.495 0.452 20 30 GCEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000420044471 1194167435 /nfs/dbraw/zinc/16/74/35/1194167435.db2.gz SZUMUHCNVWVLBJ-WBVHZDCISA-N 0 3 399.495 0.826 20 30 GCEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420043350 1194167636 /nfs/dbraw/zinc/16/76/36/1194167636.db2.gz RTKUCMLGZLRNTK-ZBFHGGJFSA-N 0 3 385.468 0.436 20 30 GCEDHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000420048359 1194168854 /nfs/dbraw/zinc/16/88/54/1194168854.db2.gz XDUISSSZGJWWJO-QAPCUYQASA-N 0 3 399.495 0.432 20 30 GCEDHN C#CCN1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000983056089 1194350833 /nfs/dbraw/zinc/35/08/33/1194350833.db2.gz JSCRPOZENRTHOR-AZQPHWPRSA-N 0 3 385.508 0.720 20 30 GCEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)C(C)C ZINC000421742877 1194362087 /nfs/dbraw/zinc/36/20/87/1194362087.db2.gz UBVGEUGMRYABAK-IRXDYDNUSA-N 0 3 381.517 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C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@@H]2CN(C)C)C1=O ZINC000436727277 1195031815 /nfs/dbraw/zinc/03/18/15/1195031815.db2.gz YKHSJGKBJRVEBX-OAHLLOKOSA-N 0 3 384.436 0.873 20 30 GCEDHN C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCN(C)C2CC2)cc1 ZINC000519554720 1195439333 /nfs/dbraw/zinc/43/93/33/1195439333.db2.gz YQNGQRIFDBIZDC-CYBMUJFWSA-N 0 3 392.481 0.863 20 30 GCEDHN CCc1c(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000328671339 1195659281 /nfs/dbraw/zinc/65/92/81/1195659281.db2.gz HESMPGLUGGGHKA-XHDPSFHLSA-N 0 3 385.468 0.982 20 30 GCEDHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C)CN1CCN(C)CC1 ZINC000328893610 1195674794 /nfs/dbraw/zinc/67/47/94/1195674794.db2.gz VCHQYNRRQKOJTK-RKVPGOIHSA-N 0 3 376.505 0.780 20 30 GCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CC3CCOCC3)CC2)CC1 ZINC000180662310 1195769628 /nfs/dbraw/zinc/76/96/28/1195769628.db2.gz XHZYVGODACFVIX-FQEVSTJZSA-N 0 3 391.560 0.723 20 30 GCEDHN C=CCN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000520693522 1195824819 /nfs/dbraw/zinc/82/48/19/1195824819.db2.gz BDAHEJOOBFYGTQ-UHFFFAOYSA-N 0 3 376.482 0.945 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC001075804998 1195855989 /nfs/dbraw/zinc/85/59/89/1195855989.db2.gz JSYNBRRMGJSERK-HZMVEIRTSA-N 0 3 390.484 0.442 20 30 GCEDHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000441921172 1195931928 /nfs/dbraw/zinc/93/19/28/1195931928.db2.gz FNCNMJZUWVGCKN-UHFFFAOYSA-N 0 3 384.415 1.374 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCCC(=O)NC)cc2)CC1 ZINC000442274549 1195969982 /nfs/dbraw/zinc/96/99/82/1195969982.db2.gz RFSWBSDVIWXFII-UHFFFAOYSA-N 0 3 388.468 0.907 20 30 GCEDHN CCOC(=O)c1c(NC(=O)C(=O)NCCN2CC[C@H](C)C2)c(C#N)cn1CC ZINC000521992138 1196032921 /nfs/dbraw/zinc/03/29/21/1196032921.db2.gz HZELWKNISXSTEG-ZDUSSCGKSA-N 0 3 389.456 0.953 20 30 GCEDHN CNC(=O)Cn1cc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000329137551 1196167329 /nfs/dbraw/zinc/16/73/29/1196167329.db2.gz HQOILFNVFXIPRG-CQSZACIVSA-N 0 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CC(C)c1nnc2n1C[C@@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)CC2 ZINC000329337323 1196186903 /nfs/dbraw/zinc/18/69/03/1196186903.db2.gz MLHYEJHKQSMLLA-HNNXBMFYSA-N 0 3 391.520 0.773 20 30 GCEDHN CS(=O)(=O)N1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000329694423 1196222503 /nfs/dbraw/zinc/22/25/03/1196222503.db2.gz XAPINLLWAGHVGI-UHFFFAOYSA-N 0 3 388.534 0.369 20 30 GCEDHN COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCN(C3CCOCC3)CC1)CC2 ZINC000329770197 1196230376 /nfs/dbraw/zinc/23/03/76/1196230376.db2.gz INHMNAKEXKZBPI-AWEZNQCLSA-N 0 3 378.477 0.450 20 30 GCEDHN COCc1nc2n(n1)C[C@H](NC(=O)N1CCC[C@@H](CN3CCOCC3)C1)CC2 ZINC000329851516 1196234632 /nfs/dbraw/zinc/23/46/32/1196234632.db2.gz TVECCOCNTWFECO-JKSUJKDBSA-N 0 3 392.504 0.698 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000330074096 1196250416 /nfs/dbraw/zinc/25/04/16/1196250416.db2.gz CQDUPAQERXLHOO-SJLPKXTDSA-N 0 3 399.495 0.944 20 30 GCEDHN Cc1nnc2n1C[C@H](CNC(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CC2 ZINC000330113610 1196253977 /nfs/dbraw/zinc/25/39/77/1196253977.db2.gz DCEKEIXEMJSGSV-JKSUJKDBSA-N 0 3 389.504 0.301 20 30 GCEDHN C[C@H](NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)N1CCCCC1 ZINC000330127283 1196254855 /nfs/dbraw/zinc/25/48/55/1196254855.db2.gz MTNDVQGZTIHIOS-IRXDYDNUSA-N 0 3 393.532 0.582 20 30 GCEDHN CC(=O)N[C@@H]1CCCN(C(=O)CN2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000330139291 1196255874 /nfs/dbraw/zinc/25/58/74/1196255874.db2.gz WDNIYWKZMGJGQB-SJORKVTESA-N 0 3 379.505 0.192 20 30 GCEDHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000439639318 1196256824 /nfs/dbraw/zinc/25/68/24/1196256824.db2.gz YJMSPPHVTAYRCF-UHFFFAOYSA-N 0 3 382.848 0.549 20 30 GCEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000330249949 1196261704 /nfs/dbraw/zinc/26/17/04/1196261704.db2.gz GNSTUZAVBIHJFI-GOEBONIOSA-N 0 3 388.534 0.510 20 30 GCEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000330257593 1196261828 /nfs/dbraw/zinc/26/18/28/1196261828.db2.gz LQRGODTVIQUFGO-CABCVRRESA-N 0 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C=CCOc1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)c(F)c1 ZINC001211998154 1197465211 /nfs/dbraw/zinc/46/52/11/1197465211.db2.gz FHPGLIKADBYXAZ-IINYFYTJSA-N 0 3 391.403 0.690 20 30 GCEDHN C=CCN1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000272415781 1197561652 /nfs/dbraw/zinc/56/16/52/1197561652.db2.gz JKAMHOAKUAHMPX-MAUKXSAKSA-N 0 3 395.525 0.789 20 30 GCEDHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000273409311 1198983697 /nfs/dbraw/zinc/98/36/97/1198983697.db2.gz XUKGCHPHGSTUNG-UHFFFAOYSA-N 0 3 392.456 0.606 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]2(F)CCOC2)CC1 ZINC001003363203 1199510948 /nfs/dbraw/zinc/51/09/48/1199510948.db2.gz NSOGALIQHAZPDL-PDOICOKGSA-N 0 3 377.460 0.708 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)[C@@H]3CC[C@H](C)C3)CC2)o1 ZINC000329808622 1199849458 /nfs/dbraw/zinc/84/94/58/1199849458.db2.gz BVOKSNNMVMPBNB-GOEBONIOSA-N 0 3 375.473 0.986 20 30 GCEDHN C=C(C)CCN1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129112232 1200465972 /nfs/dbraw/zinc/46/59/72/1200465972.db2.gz AFGVNTDZUZDCOK-NCOADZHNSA-N 0 3 390.488 0.399 20 30 GCEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000582192367 1200675442 /nfs/dbraw/zinc/67/54/42/1200675442.db2.gz HONHCNMAHACNQJ-BXUZGUMPSA-N 0 3 383.387 0.659 20 30 GCEDHN CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)n1 ZINC000540268818 1200776363 /nfs/dbraw/zinc/77/63/63/1200776363.db2.gz CTUZHULVUTXGPJ-HNNXBMFYSA-N 0 3 376.461 0.843 20 30 GCEDHN CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)n1 ZINC000463969277 1200780378 /nfs/dbraw/zinc/78/03/78/1200780378.db2.gz JDLJQEOJGKTGHM-QGZVFWFLSA-N 0 3 396.451 1.479 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCN1CC[C@H](C)C1 ZINC000545180108 1200968738 /nfs/dbraw/zinc/96/87/38/1200968738.db2.gz NKUYDVLBHJVZJU-ZDUSSCGKSA-N 0 3 381.440 0.844 20 30 GCEDHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N ZINC000603697404 1201082013 /nfs/dbraw/zinc/08/20/13/1201082013.db2.gz 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GCEDHN CC#CCN1CCC2(CN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247268 1201249826 /nfs/dbraw/zinc/24/98/26/1201249826.db2.gz VDOQQFLMTHAAIN-FCGDIQPGSA-N 0 3 375.513 0.668 20 30 GCEDHN C#CCN1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079260576 1201250570 /nfs/dbraw/zinc/25/05/70/1201250570.db2.gz CLXVGBAGQKBYAR-XWTMOSNGSA-N 0 3 389.496 0.195 20 30 GCEDHN CNC(=O)C(C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000729889839 1201417434 /nfs/dbraw/zinc/41/74/34/1201417434.db2.gz VUDGWAUMGNDZKN-HNNXBMFYSA-N 0 3 379.438 0.551 20 30 GCEDHN CC(=O)c1cccc(O[C@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909589 1201567693 /nfs/dbraw/zinc/56/76/93/1201567693.db2.gz DEYDZKYMYFTISA-CJNGLKHVSA-N 0 3 392.433 0.622 20 30 GCEDHN Cc1cc(C)c(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)c1 ZINC000732909587 1201567766 /nfs/dbraw/zinc/56/77/66/1201567766.db2.gz DBFCEPVDNHNZNB-OAHLLOKOSA-N 0 3 378.450 0.957 20 30 GCEDHN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909845 1201569009 /nfs/dbraw/zinc/56/90/09/1201569009.db2.gz GTGXYVSWYZWNQH-PWSUYJOCSA-N 0 3 386.376 0.698 20 30 GCEDHN N#CC(C(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910830 1201569313 /nfs/dbraw/zinc/56/93/13/1201569313.db2.gz STCSVDUZBLBAAS-ZDUSSCGKSA-N 0 3 397.434 0.653 20 30 GCEDHN N#CC(C(=O)CCCOCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909968 1201569468 /nfs/dbraw/zinc/56/94/68/1201569468.db2.gz KDWFANMEDRWVEB-INIZCTEOSA-N 0 3 378.450 0.949 20 30 GCEDHN N#CC(C(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)NC1CCCC1 ZINC000766265350 1201762016 /nfs/dbraw/zinc/76/20/16/1201762016.db2.gz UIYNPJUKZPJOSC-MRXNPFEDSA-N 0 3 398.467 0.673 20 30 GCEDHN COCC[N@H+](C)CCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742537732 1201799475 /nfs/dbraw/zinc/79/94/75/1201799475.db2.gz ONONQPUBSASXBL-CQSZACIVSA-N 0 3 396.513 0.588 20 30 GCEDHN COCC[N@@H+](C)CCCNC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742537732 1201799480 /nfs/dbraw/zinc/79/94/80/1201799480.db2.gz ONONQPUBSASXBL-CQSZACIVSA-N 0 3 396.513 0.588 20 30 GCEDHN C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000743885199 1201825704 /nfs/dbraw/zinc/82/57/04/1201825704.db2.gz UOYXVKLMUFTXGT-HNNXBMFYSA-N 0 3 390.459 0.918 20 30 GCEDHN C=CCNC(=O)C(C#N)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000744029964 1201833195 /nfs/dbraw/zinc/83/31/95/1201833195.db2.gz XWWHYADYUGSELF-CQSZACIVSA-N 0 3 388.449 0.859 20 30 GCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000745814093 1201891470 /nfs/dbraw/zinc/89/14/70/1201891470.db2.gz VUJYVEOVKJQRDN-UPTRSRDDSA-N 0 3 379.461 0.265 20 30 GCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000745814095 1201891661 /nfs/dbraw/zinc/89/16/61/1201891661.db2.gz VUJYVEOVKJQRDN-VUAZUDAXSA-N 0 3 379.461 0.265 20 30 GCEDHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000746344430 1201911861 /nfs/dbraw/zinc/91/18/61/1201911861.db2.gz LHGICMICBAMBLB-OAHLLOKOSA-N 0 3 390.509 0.915 20 30 GCEDHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000746344430 1201911863 /nfs/dbraw/zinc/91/18/63/1201911863.db2.gz LHGICMICBAMBLB-OAHLLOKOSA-N 0 3 390.509 0.915 20 30 GCEDHN C#CCNc1nc(N2CCN(C(C)C)CC2)nc(N2CCN(C(C)C)CC2)n1 ZINC000804342004 1201957817 /nfs/dbraw/zinc/95/78/17/1201957817.db2.gz DKDHXYVBTNIHIC-UHFFFAOYSA-N 0 3 386.548 0.399 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000767036959 1201965019 /nfs/dbraw/zinc/96/50/19/1201965019.db2.gz BVVKIEFTYDDQSV-SFHVURJKSA-N 0 3 394.479 0.658 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000767036957 1201965049 /nfs/dbraw/zinc/96/50/49/1201965049.db2.gz BVVKIEFTYDDQSV-GOSISDBHSA-N 0 3 394.479 0.658 20 30 GCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COCC(F)(F)F ZINC001109270474 1202010617 /nfs/dbraw/zinc/01/06/17/1202010617.db2.gz ININVPQESWHUAA-KBXIAJHMSA-N 0 3 378.391 0.688 20 30 GCEDHN 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CCOC(=O)CON=C(C(=O)N1CC[C@@H](Oc2ccncc2)C1)c1cc[nH]n1 ZINC000790152699 1205457798 /nfs/dbraw/zinc/45/77/98/1205457798.db2.gz HFNRVAYAPIKGKH-CQSZACIVSA-N 0 3 387.396 0.768 20 30 GCEDHN CCOC(=O)CON=C(C(=O)NC[C@@H]1N(C)CCCC1(C)C)c1cc[nH]n1 ZINC000791144828 1205473981 /nfs/dbraw/zinc/47/39/81/1205473981.db2.gz FTKLRDIZAUIMMB-AWEZNQCLSA-N 0 3 379.461 0.930 20 30 GCEDHN C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCCCC1 ZINC000793715481 1205503261 /nfs/dbraw/zinc/50/32/61/1205503261.db2.gz YYYAOLKOEBOITC-ZDUSSCGKSA-N 0 3 375.477 0.245 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129855027 1205521260 /nfs/dbraw/zinc/52/12/60/1205521260.db2.gz FIMPQQMKVDLMPU-BDXSIMOUSA-N 0 3 393.488 0.264 20 30 GCEDHN C#CCNc1nc(N2CCN(CC)C[C@H]2C)nc(N2CCN(CC)C[C@H]2C)n1 ZINC000804793951 1205525896 /nfs/dbraw/zinc/52/58/96/1205525896.db2.gz ADXTYPIQNLGVKO-IAGOWNOFSA-N 0 3 386.548 0.399 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000804892338 1205527653 /nfs/dbraw/zinc/52/76/53/1205527653.db2.gz QKCTVDCKCUYRIL-ZDUSSCGKSA-N 0 3 390.406 0.375 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOCC(F)F)[C@@H](n2ccnn2)C1 ZINC001130009536 1205529370 /nfs/dbraw/zinc/52/93/70/1205529370.db2.gz URQCYICAILCYJW-KBXIAJHMSA-N 0 3 385.415 0.492 20 30 GCEDHN C#CCCCNC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000806912779 1205570090 /nfs/dbraw/zinc/57/00/90/1205570090.db2.gz LDJZRDOUIRBWLD-LJQANCHMSA-N 0 3 397.523 0.972 20 30 GCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3OCC[C@H]3C(C)C)n[n-]2)O1 ZINC001130783227 1205570191 /nfs/dbraw/zinc/57/01/91/1205570191.db2.gz RAFUCAVWKWYNGC-MPTYRVRUSA-N 0 3 375.473 0.925 20 30 GCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@H]3OCC[C@H]3C(C)C)n2)O1 ZINC001130783227 1205570193 /nfs/dbraw/zinc/57/01/93/1205570193.db2.gz RAFUCAVWKWYNGC-MPTYRVRUSA-N 0 3 375.473 0.925 20 30 GCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3C3CCOCC3)n[n-]2)O1 ZINC001130792671 1205571246 /nfs/dbraw/zinc/57/12/46/1205571246.db2.gz QYSFNADZRSLCGP-MWDXBVQZSA-N 0 3 387.484 0.927 20 30 GCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2n[n-]c(CNC(=O)[C@@H]3C[C@H]3C3CCOCC3)n2)O1 ZINC001130792671 1205571247 /nfs/dbraw/zinc/57/12/47/1205571247.db2.gz QYSFNADZRSLCGP-MWDXBVQZSA-N 0 3 387.484 0.927 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCO1 ZINC000807767940 1205589903 /nfs/dbraw/zinc/58/99/03/1205589903.db2.gz XWECJEJPDROIAN-PMACEKPBSA-N 0 3 399.491 0.557 20 30 GCEDHN C#CCN1CCC(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000808148415 1205600447 /nfs/dbraw/zinc/60/04/47/1205600447.db2.gz XBQQRDNVQFDWEB-FQEVSTJZSA-N 0 3 384.436 0.839 20 30 GCEDHN CN(C)C[C@H](CO)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000808173346 1205602182 /nfs/dbraw/zinc/60/21/82/1205602182.db2.gz GMMXJKGVLNSLKV-CQSZACIVSA-N 0 3 396.513 0.324 20 30 GCEDHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C=NOC)cc2)CC1=O ZINC000808269317 1205604586 /nfs/dbraw/zinc/60/45/86/1205604586.db2.gz IMTJRXYRDMOPTI-KRWDZBQOSA-N 0 3 376.457 0.576 20 30 GCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001131567390 1205618500 /nfs/dbraw/zinc/61/85/00/1205618500.db2.gz IYZONJOBFZPACL-XSYGEPLQSA-N 0 3 389.496 0.313 20 30 GCEDHN CCOC(=O)CON=C(C(=O)N(CCOC)C1CCN(C)CC1)c1ccn[nH]1 ZINC001177259058 1205764106 /nfs/dbraw/zinc/76/41/06/1205764106.db2.gz ZETQKZCMTAKWJG-FXBPSFAMSA-N 0 3 395.460 0.263 20 30 GCEDHN CN(C)[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)Cc1ccccc1 ZINC000774923745 1205928718 /nfs/dbraw/zinc/92/87/18/1205928718.db2.gz NWKPCHAOZXALKM-GOSISDBHSA-N 0 3 394.479 0.770 20 30 GCEDHN C#CCN1CCN(C(=O)CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000774969168 1205934165 /nfs/dbraw/zinc/93/41/65/1205934165.db2.gz LCVXTOUATAUFHT-KRWDZBQOSA-N 0 3 398.507 0.772 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573284915 946762748 /nfs/dbraw/zinc/76/27/48/946762748.db2.gz AMEQEHSILVXBLR-DYVFJYSZSA-N 0 3 385.447 0.698 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573288068 946855069 /nfs/dbraw/zinc/85/50/69/946855069.db2.gz MKSGSVZCVUPNGJ-SFHVURJKSA-N 0 3 376.420 0.729 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573288068 946855078 /nfs/dbraw/zinc/85/50/78/946855078.db2.gz MKSGSVZCVUPNGJ-SFHVURJKSA-N 0 3 376.420 0.729 20 30 GCEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561824 946967284 /nfs/dbraw/zinc/96/72/84/946967284.db2.gz NRLHQOXMYTYUJC-DGCLKSJQSA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561824 946967292 /nfs/dbraw/zinc/96/72/92/946967292.db2.gz NRLHQOXMYTYUJC-DGCLKSJQSA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573565197 947002590 /nfs/dbraw/zinc/00/25/90/947002590.db2.gz ONPKKFWZPZIFFW-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573565197 947002603 /nfs/dbraw/zinc/00/26/03/947002603.db2.gz ONPKKFWZPZIFFW-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573310108 947218465 /nfs/dbraw/zinc/21/84/65/947218465.db2.gz UBDXJQSLSCXDID-LIRRHRJNSA-N 0 3 386.456 0.893 20 30 GCEDHN C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573310108 947218474 /nfs/dbraw/zinc/21/84/74/947218474.db2.gz UBDXJQSLSCXDID-LIRRHRJNSA-N 0 3 386.456 0.893 20 30 GCEDHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000283655673 530207656 /nfs/dbraw/zinc/20/76/56/530207656.db2.gz YUCIDTOKFOBMOJ-ZDUSSCGKSA-N 0 3 376.276 0.912 20 30 GCEDHN C=CCN1CCC(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000561569966 530281032 /nfs/dbraw/zinc/28/10/32/530281032.db2.gz XAAWMJWURPTFSB-GFCCVEGCSA-N 0 3 386.440 0.758 20 30 GCEDHN CN(CCC#N)C[C@@H](O)CNCCNC(=O)c1ccc(Br)cc1 ZINC000591728000 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1200677149 /nfs/dbraw/zinc/67/71/49/1200677149.db2.gz ORIAWGCVTSMCQA-MRXNPFEDSA-N 0 3 380.452 1.451 20 30 GCEDHN CN(CC#CCN1C(=O)c2ccccc2C1=O)CCCc1[nH]nc(N)c1C#N ZINC000599336087 1201096071 /nfs/dbraw/zinc/09/60/71/1201096071.db2.gz FOMZHSZDCCTFLT-UHFFFAOYSA-N 0 3 376.420 1.028 20 30 GCEDHN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000562905534 1201098370 /nfs/dbraw/zinc/09/83/70/1201098370.db2.gz RQMCEXRAEWQKMR-HNNXBMFYSA-N 0 3 389.504 0.491 20 30 GCEDHN C=CCN1CC[C@H](NCC2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC000946926270 1201163167 /nfs/dbraw/zinc/16/31/67/1201163167.db2.gz ZVBVNYIJQKOECY-UFYUIRFASA-N 0 3 389.496 0.140 20 30 GCEDHN C=CCN1CCC2(CN(C(=O)[C@H]3CC[C@@H](C(=O)N(C)C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079260517 1201249544 /nfs/dbraw/zinc/24/95/44/1201249544.db2.gz ACVVMXHVTUEGFQ-XWTMOSNGSA-N 0 3 391.512 0.748 20 30 GCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1C ZINC001080589929 1201277223 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0 3 378.406 0.234 20 30 GCEDHN N#CC(C(=O)COCCOc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909032 1201568650 /nfs/dbraw/zinc/56/86/50/1201568650.db2.gz WMRIHANQOPQVGC-HNNXBMFYSA-N 0 3 380.422 0.048 20 30 GCEDHN COc1ccc(OCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732909990 1201569341 /nfs/dbraw/zinc/56/93/41/1201569341.db2.gz IRJVJFAWMFWPRK-INIZCTEOSA-N 0 3 394.449 0.820 20 30 GCEDHN COc1ccc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732910221 1201569458 /nfs/dbraw/zinc/56/94/58/1201569458.db2.gz LSICCZMLQLXLRO-MRXNPFEDSA-N 0 3 378.450 0.984 20 30 GCEDHN N#Cc1ccc(OCCCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000734836882 1201663967 /nfs/dbraw/zinc/66/39/67/1201663967.db2.gz HEOUZNZLBXMDLK-ROUUACIJSA-N 0 3 379.482 0.415 20 30 GCEDHN CN(CC(=O)C(C#N)C(=O)N1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739144336 1201741014 /nfs/dbraw/zinc/74/10/14/1201741014.db2.gz RRWVJEAPVDZUEW-AWEZNQCLSA-N 0 3 394.409 0.547 20 30 GCEDHN COCCN1CC[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000742655016 1201805239 /nfs/dbraw/zinc/80/52/39/1201805239.db2.gz ZHWGTUNUVZUOIB-KBPBESRZSA-N 0 3 394.497 0.341 20 30 GCEDHN C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000743885200 1201825642 /nfs/dbraw/zinc/82/56/42/1201825642.db2.gz UOYXVKLMUFTXGT-OAHLLOKOSA-N 0 3 390.459 0.918 20 30 GCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC000745814094 1201891340 /nfs/dbraw/zinc/89/13/40/1201891340.db2.gz VUJYVEOVKJQRDN-UVTIVQHFSA-N 0 3 379.461 0.265 20 30 GCEDHN C#CCNC(=O)C1CCN(C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000745863209 1201891911 /nfs/dbraw/zinc/89/19/11/1201891911.db2.gz SRHPHIQQAOQFIY-KRWDZBQOSA-N 0 3 377.533 0.431 20 30 GCEDHN COc1ccc(C(=Nc2ccc(C(=O)NC3CCN(C)CC3)nn2)NO)nc1 ZINC001169600628 1201952354 /nfs/dbraw/zinc/95/23/54/1201952354.db2.gz WFQFGZJWZXAKED-UHFFFAOYSA-N 0 3 385.428 0.761 20 30 GCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC1CCOCC1 ZINC001109272397 1202010429 /nfs/dbraw/zinc/01/04/29/1202010429.db2.gz HXWNJUGIKOKJCG-FPAYPSAMSA-N 0 3 380.485 0.304 20 30 GCEDHN C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001109403783 1202038789 /nfs/dbraw/zinc/03/87/89/1202038789.db2.gz YNGNSQZZGGZESF-ILXRZTDVSA-N 0 3 377.489 0.204 20 30 GCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(F)cc1OCC#N ZINC000770800506 1202113825 /nfs/dbraw/zinc/11/38/25/1202113825.db2.gz LLNZJTQVBHBCHB-AWEZNQCLSA-N 0 3 391.447 0.809 20 30 GCEDHN CN1CCN(c2ccc(C=NNC(=S)NCCN3CCOCC3)cc2)CC1 ZINC000771555955 1202148687 /nfs/dbraw/zinc/14/86/87/1202148687.db2.gz RQNUOFHVJSIUKZ-UHFFFAOYSA-N 0 3 390.557 0.569 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)C(=O)NCCNc2ncccc2C#N)CCSC1 ZINC000788246804 1205417298 /nfs/dbraw/zinc/41/72/98/1205417298.db2.gz STEVIAKMMDJWDZ-QGZVFWFLSA-N 0 3 376.486 0.035 20 30 GCEDHN COCCCNC(=O)C(C#N)C(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC000796740012 1205489176 /nfs/dbraw/zinc/48/91/76/1205489176.db2.gz IVDBZPMEAXIPPR-LLVKDONJSA-N 0 3 381.335 0.866 20 30 GCEDHN C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCCCC1 ZINC000793715480 1205503053 /nfs/dbraw/zinc/50/30/53/1205503053.db2.gz YYYAOLKOEBOITC-CYBMUJFWSA-N 0 3 375.477 0.245 20 30 GCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23C[C@H]2CCC3)[n-]1 ZINC001130227909 1205538545 /nfs/dbraw/zinc/53/85/45/1205538545.db2.gz VBAYWKVNBIHQKV-NARAOEGZSA-N 0 3 387.484 0.723 20 30 GCEDHN C=CC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccncc1 ZINC000805813049 1205544641 /nfs/dbraw/zinc/54/46/41/1205544641.db2.gz CLMPKSXZTYLGJF-GOSISDBHSA-N 0 3 399.495 0.582 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCC1(C)OCCO1 ZINC000806374328 1205556132 /nfs/dbraw/zinc/55/61/32/1205556132.db2.gz YHFTZMSZWGCCLO-UHFFFAOYSA-N 0 3 388.468 0.718 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCc1ccnn1C ZINC000808014194 1205596351 /nfs/dbraw/zinc/59/63/51/1205596351.db2.gz GBMBFAHBDFBJKU-UHFFFAOYSA-N 0 3 382.468 0.541 20 30 GCEDHN C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)CN2CCCC2)ccc1F ZINC000808223040 1205602858 /nfs/dbraw/zinc/60/28/58/1205602858.db2.gz ZHMPPYXCBZHQKZ-AWEZNQCLSA-N 0 3 385.461 0.477 20 30 GCEDHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C=NOC)cc2)CC1=O ZINC000808269321 1205604704 /nfs/dbraw/zinc/60/47/04/1205604704.db2.gz IMTJRXYRDMOPTI-QGZVFWFLSA-N 0 3 376.457 0.576 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC)CC1 ZINC001131500477 1205613361 /nfs/dbraw/zinc/61/33/61/1205613361.db2.gz XSQYCDNYFRPCGD-VXNCWWDNSA-N 0 3 379.501 0.699 20 30 GCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001131533508 1205616800 /nfs/dbraw/zinc/61/68/00/1205616800.db2.gz IVSNAHUCXVKIBC-XSYGEPLQSA-N 0 3 391.512 0.537 20 30 GCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001131567156 1205618543 /nfs/dbraw/zinc/61/85/43/1205618543.db2.gz BVUNNMWVAVATMG-MYZZLAAOSA-N 0 3 377.485 0.289 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NC)CC1 ZINC001131578257 1205618922 /nfs/dbraw/zinc/61/89/22/1205618922.db2.gz NKSHOGFJTIUDMC-NBMJBFSESA-N 0 3 379.501 0.699 20 30 GCEDHN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC000810366382 1205635974 /nfs/dbraw/zinc/63/59/74/1205635974.db2.gz JXIJOZGNPUEUQD-ZIAGYGMSSA-N 0 3 395.423 0.057 20 30 GCEDHN C#CCNC(=O)C1CCN(CCOc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000747820398 1205668686 /nfs/dbraw/zinc/66/86/86/1205668686.db2.gz SXVZSDIUIFINNE-UHFFFAOYSA-N 0 3 393.509 0.777 20 30 GCEDHN CON(C)C(=O)C1CCN(CC#CCN2CCC(C(=O)N(C)OC)CC2)CC1 ZINC000812873363 1205669584 /nfs/dbraw/zinc/66/95/84/1205669584.db2.gz YZBJFPUROKODJM-UHFFFAOYSA-N 0 3 394.516 0.453 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000815082785 1205698022 /nfs/dbraw/zinc/69/80/22/1205698022.db2.gz FHOMVVQYTQEZFX-UHFFFAOYSA-N 0 3 399.538 0.705 20 30 GCEDHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172303946 1205715663 /nfs/dbraw/zinc/71/56/63/1205715663.db2.gz GPWBJQQEOZKUFH-AJNGGQMLSA-N 0 3 388.468 0.650 20 30 GCEDHN CC(C)C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(=O)NCC(N)=O ZINC001172975294 1205718301 /nfs/dbraw/zinc/71/83/01/1205718301.db2.gz BWESZKLSPKXLIX-KKUMJFAQSA-N 0 3 395.504 0.884 20 30 GCEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC3(CC2)NC(=O)NC3=O)C[C@H]1C#N ZINC001172992256 1205718481 /nfs/dbraw/zinc/71/84/81/1205718481.db2.gz UNOCEJRFPTZJGS-STQMWFEESA-N 0 3 377.445 0.952 20 30 GCEDHN COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)CCN1C(=O)c1ccccc1 ZINC001173495797 1205721535 /nfs/dbraw/zinc/72/15/35/1205721535.db2.gz NCXLGGMYDWKXCU-XZDPQHSOSA-N 0 3 375.425 0.659 20 30 GCEDHN Cn1cc(C(=O)NC[C@H]2CCCN2C[C@@H](O)CC2(C#N)CCOCC2)cn1 ZINC001175202165 1205735664 /nfs/dbraw/zinc/73/56/64/1205735664.db2.gz CPSLHCFUFQEUBU-SJORKVTESA-N 0 3 375.473 0.686 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)CC1 ZINC001177565022 1205771776 /nfs/dbraw/zinc/77/17/76/1205771776.db2.gz BWNMWTRIDLIPIL-OAQYLSRUSA-N 0 3 396.535 0.833 20 30 GCEDHN C=CCN1CCC[C@H]1CNC(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179224449 1205806456 /nfs/dbraw/zinc/80/64/56/1205806456.db2.gz KEIGXTBKIRIUBX-GOEBONIOSA-N 0 3 392.500 0.879 20 30 GCEDHN CC(C)N1CCN(CCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 ZINC001179649826 1205812684 /nfs/dbraw/zinc/81/26/84/1205812684.db2.gz AXHKKIFZSAFPDC-FUHWJXTLSA-N 0 3 382.530 0.189 20 30 GCEDHN Cn1nccc1CC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000774055521 1205860821 /nfs/dbraw/zinc/86/08/21/1205860821.db2.gz PPKZWSQTBWFJNK-NSHDSACASA-N 0 3 385.336 0.990 20 30 GCEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)N[C@H](C#N)C(N)=O)CC2)C1 ZINC001183162387 1205888957 /nfs/dbraw/zinc/88/89/57/1205888957.db2.gz OXOZYZLXVPOMTO-ZIAGYGMSSA-N 0 3 379.461 0.201 20 30 GCEDHN C=C(C)CN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001184483825 1205911128 /nfs/dbraw/zinc/91/11/28/1205911128.db2.gz VNYMEBFFGMYEKL-MJQMVNBJSA-N 0 3 379.501 0.653 20 30 GCEDHN CN(C)[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000774917695 1205928205 /nfs/dbraw/zinc/92/82/05/1205928205.db2.gz HGFFMQZABMOPHG-SFHVURJKSA-N 0 3 394.479 0.770 20 30 GCEDHN C#CC[NH+]1CCC(C(=O)N(C)CCCNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001573281972 946682323 /nfs/dbraw/zinc/68/23/23/946682323.db2.gz DNIDURCQNISRGV-UHFFFAOYSA-N 0 3 383.460 0.262 20 30 GCEDHN C#CC[NH+]1CCC(C(=O)NCC2(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573282244 946688029 /nfs/dbraw/zinc/68/80/29/946688029.db2.gz HFUOUUOVEMAXSH-UHFFFAOYSA-N 0 3 381.444 0.063 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001573284862 946760224 /nfs/dbraw/zinc/76/02/24/946760224.db2.gz AAXODWTWMLEBQT-AEFFLSMTSA-N 0 3 381.484 0.949 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001573284862 946760232 /nfs/dbraw/zinc/76/02/32/946760232.db2.gz AAXODWTWMLEBQT-AEFFLSMTSA-N 0 3 381.484 0.949 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NCCN(c1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573285700 946785605 /nfs/dbraw/zinc/78/56/05/946785605.db2.gz LKZLFNPMCWTFBJ-KRWDZBQOSA-N 0 3 380.456 0.444 20 30 GCEDHN C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)C1 ZINC001573286003 946791638 /nfs/dbraw/zinc/79/16/38/946791638.db2.gz RFYOSGFLQULHRK-WBVHZDCISA-N 0 3 383.456 0.817 20 30 GCEDHN C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)C1 ZINC001573286003 946791650 /nfs/dbraw/zinc/79/16/50/946791650.db2.gz RFYOSGFLQULHRK-WBVHZDCISA-N 0 3 383.456 0.817 20 30 GCEDHN C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573285974 946792125 /nfs/dbraw/zinc/79/21/25/946792125.db2.gz QJXAOSDLKHPGFK-TZMCWYRMSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573285974 946792131 /nfs/dbraw/zinc/79/21/31/946792131.db2.gz QJXAOSDLKHPGFK-TZMCWYRMSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573286156 946797702 /nfs/dbraw/zinc/79/77/02/946797702.db2.gz VBJCZIDKXBLTRG-HNNXBMFYSA-N 0 3 387.513 0.964 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001573288067 946856419 /nfs/dbraw/zinc/85/64/19/946856419.db2.gz MKSGSVZCVUPNGJ-GOSISDBHSA-N 0 3 376.420 0.729 20 30 GCEDHN C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001573288067 946856433 /nfs/dbraw/zinc/85/64/33/946856433.db2.gz MKSGSVZCVUPNGJ-GOSISDBHSA-N 0 3 376.420 0.729 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567680 947052794 /nfs/dbraw/zinc/05/27/94/947052794.db2.gz QVAVODNLIMNKJE-KPZWWZAWSA-N 0 3 387.419 0.609 20 30 GCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573300357 947109466 /nfs/dbraw/zinc/10/94/66/947109466.db2.gz OVIIDFALGUKWMY-GUYCJALGSA-N 0 3 385.472 0.932 20 30 GCEDHN C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCO1 ZINC001573348579 947586873 /nfs/dbraw/zinc/58/68/73/947586873.db2.gz SCOVUMCSURAPDC-CQSZACIVSA-N 0 3 375.433 0.218 20 30 GCEDHN C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCO1 ZINC001573348579 947586880 /nfs/dbraw/zinc/58/68/80/947586880.db2.gz SCOVUMCSURAPDC-CQSZACIVSA-N 0 3 375.433 0.218 20 30 GCEDHN CN(CCC#N)C[C@@H](O)CNCCNC(=O)c1cccc(Br)c1 ZINC000571396456 530117901 /nfs/dbraw/zinc/11/79/01/530117901.db2.gz DPDOGNDCRZULPU-HNNXBMFYSA-N 0 3 383.290 0.975 20 30 GCEDHN N#Cc1cccc(CS(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261606494 530190006 /nfs/dbraw/zinc/19/00/06/530190006.db2.gz ARHNEKHMXVIYRS-CQSZACIVSA-N 0 3 376.404 0.814 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1Br ZINC000583154450 530334246 /nfs/dbraw/zinc/33/42/46/530334246.db2.gz BMKYIOPBFFTCBP-MFKMUULPSA-N 0 3 399.270 0.253 20 30 GCEDHN CN(CCC#N)C[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000591767210 530410770 /nfs/dbraw/zinc/41/07/70/530410770.db2.gz ZMJCFGQTJRJFMM-CABCVRRESA-N 0 3 386.543 0.697 20 30 GCEDHN C=CCN1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000593527212 530422190 /nfs/dbraw/zinc/42/21/90/530422190.db2.gz HVOQTGSIWZZMGC-UHFFFAOYSA-N 0 3 376.548 0.315 20 30 GCEDHN C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N ZINC000594638796 530433385 /nfs/dbraw/zinc/43/33/85/530433385.db2.gz OTTGZDWQUKJJPN-KBPBESRZSA-N 0 3 392.547 0.096 20 30 GCEDHN C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N ZINC000594638799 530433429 /nfs/dbraw/zinc/43/34/29/530433429.db2.gz OTTGZDWQUKJJPN-KGLIPLIRSA-N 0 3 392.547 0.096 20 30 GCEDHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1N(C)C ZINC000291498359 530492981 /nfs/dbraw/zinc/49/29/81/530492981.db2.gz RVDDXSZGVTVLLT-HUUCEWRRSA-N 0 3 382.511 0.341 20 30 GCEDHN CNC(=O)NC(=O)CCN1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000330693103 530523496 /nfs/dbraw/zinc/52/34/96/530523496.db2.gz CDAXAEWTSSJDLO-UHFFFAOYSA-N 0 3 388.412 0.325 20 30 GCEDHN C=CCC[C@@H](CO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000518979248 530584117 /nfs/dbraw/zinc/58/41/17/530584117.db2.gz DQSTYNQHUPZCSX-AWEZNQCLSA-N 0 3 390.527 0.627 20 30 GCEDHN C=CCC[C@H](CO)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000518979249 530584277 /nfs/dbraw/zinc/58/42/77/530584277.db2.gz DQSTYNQHUPZCSX-CQSZACIVSA-N 0 3 390.527 0.627 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000349463921 530640790 /nfs/dbraw/zinc/64/07/90/530640790.db2.gz CACGKFVVMFHIGR-KKUMJFAQSA-N 0 3 392.547 0.096 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000349463930 530640832 /nfs/dbraw/zinc/64/08/32/530640832.db2.gz CACGKFVVMFHIGR-RRFJBIMHSA-N 0 3 392.547 0.096 20 30 GCEDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329864277 530622139 /nfs/dbraw/zinc/62/21/39/530622139.db2.gz ZOVNPEOESFDZEY-CQSZACIVSA-N 0 3 392.591 0.941 20 30 GCEDHN C=C[C@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000349592188 531074225 /nfs/dbraw/zinc/07/42/25/531074225.db2.gz NEFHFMCTOVQJAN-ZDUSSCGKSA-N 0 3 388.515 0.552 20 30 GCEDHN COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000737026024 598819216 /nfs/dbraw/zinc/81/92/16/598819216.db2.gz UQQCLHAOGPCCTF-UHFFFAOYSA-N 0 3 387.444 0.948 20 30 GCEDHN COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000737026024 598819218 /nfs/dbraw/zinc/81/92/18/598819218.db2.gz UQQCLHAOGPCCTF-UHFFFAOYSA-N 0 3 387.444 0.948 20 30 GCEDHN C#CC[NH+]1CCC(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000819701780 606830860 /nfs/dbraw/zinc/83/08/60/606830860.db2.gz MQKZYACQODVADI-AWEZNQCLSA-N 0 3 395.471 0.039 20 30 GCEDHN C#CCN(C)CCCNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O ZINC000895057731 638720007 /nfs/dbraw/zinc/72/00/07/638720007.db2.gz XGVOGUXMWZNOTL-ZDUSSCGKSA-N 0 3 394.273 0.962 20 30 GCEDHN C#CCN(C(=S)NCc1ccc(S(N)(=O)=O)cc1)C1CCN(C)CC1 ZINC000899613594 639265141 /nfs/dbraw/zinc/26/51/41/639265141.db2.gz HOBIQKCPRCFMGQ-UHFFFAOYSA-N 0 3 380.539 0.738 20 30 GCEDHN CN(CCO)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 ZINC000899740541 639273527 /nfs/dbraw/zinc/27/35/27/639273527.db2.gz MCGRHEDIPJUINK-UHFFFAOYSA-N 0 3 381.274 0.797 20 30 GCEDHN N#CC(C(=O)COc1ccc(F)cc1Cl)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908906 639815058 /nfs/dbraw/zinc/81/50/58/639815058.db2.gz UFCKFFIBQCDWJP-NSHDSACASA-N 0 3 388.804 0.824 20 30 GCEDHN C#CCN(C(=O)CSc1nnnn1CC(F)(F)F)C1CCN(C)CC1 ZINC000886582223 641844604 /nfs/dbraw/zinc/84/46/04/641844604.db2.gz KLGJWJXVURFDSZ-UHFFFAOYSA-N 0 3 376.408 0.884 20 30 GCEDHN N#Cc1ccc(NC(=O)C(=O)N2CCNCCNCC2)cc1Br ZINC000927883027 641938883 /nfs/dbraw/zinc/93/88/83/641938883.db2.gz LDFVSAIDIBLUTP-UHFFFAOYSA-N 0 3 380.246 0.281 20 30 GCEDHN C#CCCNS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2ccncc21 ZINC000848966191 642605734 /nfs/dbraw/zinc/60/57/34/642605734.db2.gz GLDRGDXFCGGWEZ-UHFFFAOYSA-N 0 3 386.499 0.000 20 30 GCEDHN C#CCNS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)nc2c1CCCC2 ZINC000848967375 642611586 /nfs/dbraw/zinc/61/15/86/642611586.db2.gz ZODVXWFYJRVNTC-UHFFFAOYSA-N 0 3 385.511 0.375 20 30 GCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1c1ccccc1 ZINC001211675481 1192200196 /nfs/dbraw/zinc/20/01/96/1192200196.db2.gz SCUDSYFVJVTFLT-FUMNGEBKSA-N 0 3 383.492 0.945 20 30 GCEDHN CCOC(=O)CON=C(C(=O)N1C[C@@H](N(C)C)[C@@H](SC)C1)c1ccn[nH]1 ZINC000278876399 1192319416 /nfs/dbraw/zinc/31/94/16/1192319416.db2.gz YDDQAQZVTCKVEZ-IIZPDRCKSA-N 0 3 383.474 0.198 20 30 GCEDHN N#CCN1CCC(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000585717613 1192396567 /nfs/dbraw/zinc/39/65/67/1192396567.db2.gz MYDVFVLLFRYIHM-UHFFFAOYSA-N 0 3 383.496 0.655 20 30 GCEDHN C#CCN1CCC(C(=O)NC[C@H]2CC[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)C2)CC1 ZINC000981544318 1192442243 /nfs/dbraw/zinc/44/22/43/1192442243.db2.gz HZRFFVVNDUJEOG-DKKFBQAASA-N 0 3 391.512 0.537 20 30 GCEDHN C#CCn1ccc(CN(CC)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000279347512 1192527947 /nfs/dbraw/zinc/52/79/47/1192527947.db2.gz CILIJJYXKDWHFP-GOSISDBHSA-N 0 3 388.516 0.991 20 30 GCEDHN C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000784925287 1184223555 /nfs/dbraw/zinc/22/35/55/1184223555.db2.gz XGWMSXKEISEKCQ-UHFFFAOYSA-N 0 3 394.475 0.808 20 30 GCEDHN C#CCN1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000154268872 1184363648 /nfs/dbraw/zinc/36/36/48/1184363648.db2.gz SBIASBQRWAZHRC-UHFFFAOYSA-N 0 3 398.511 0.307 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000246904455 1184518130 /nfs/dbraw/zinc/51/81/30/1184518130.db2.gz MLTUXWNQAQJHMV-MOPGFXCFSA-N 0 3 381.480 0.902 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275475561 1184683268 /nfs/dbraw/zinc/68/32/68/1184683268.db2.gz OQVRVUSHEZGANK-UHFFFAOYSA-N 0 3 395.467 0.943 20 30 GCEDHN C=C(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000580660607 1185300334 /nfs/dbraw/zinc/30/03/34/1185300334.db2.gz RYYBTQYDFIHRBL-WQVCFCJDSA-N 0 3 392.406 0.469 20 30 GCEDHN C=CCc1cc(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(OC)c1OC ZINC000580785810 1185361128 /nfs/dbraw/zinc/36/11/28/1185361128.db2.gz PBCRCWVHSYCICI-HZPDHXFCSA-N 0 3 388.468 0.886 20 30 GCEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)N(C)C)CC1 ZINC000891476708 1185884568 /nfs/dbraw/zinc/88/45/68/1185884568.db2.gz UPDMDUNJMLAZSJ-QGZVFWFLSA-N 0 3 393.513 0.084 20 30 GCEDHN CN(C(=O)NCCn1cnc(C#N)n1)C1CCN(CCc2ccccn2)CC1 ZINC000510624099 1186040205 /nfs/dbraw/zinc/04/02/05/1186040205.db2.gz WWZKSFAKGKNPFM-UHFFFAOYSA-N 0 3 382.472 0.893 20 30 GCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@@H]2CCCN3CCO)CC1 ZINC000934261665 1186388682 /nfs/dbraw/zinc/38/86/82/1186388682.db2.gz FQKVGIVDTSREHF-FHWLQOOXSA-N 0 3 377.533 0.210 20 30 GCEDHN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1C#N ZINC000277798198 1186613804 /nfs/dbraw/zinc/61/38/04/1186613804.db2.gz GXWVNCGRTMJWOS-KRWDZBQOSA-N 0 3 376.482 0.794 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000248151189 1186803693 /nfs/dbraw/zinc/80/36/93/1186803693.db2.gz QUQPPQJZZWSQFZ-YDHLFZDLSA-N 0 3 376.482 0.966 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCCc3cn(CCOC)nc32)CC1 ZINC000583620570 1186902073 /nfs/dbraw/zinc/90/20/73/1186902073.db2.gz LORHOJSLRFFGJL-KRWDZBQOSA-N 0 3 389.500 0.790 20 30 GCEDHN CN1CCN(C)[C@H](CNc2ccc(C#N)c(NC[C@@H]3CN(C)CCN3C)n2)C1 ZINC000278381443 1186921911 /nfs/dbraw/zinc/92/19/11/1186921911.db2.gz LONKIPPECJUEQH-QZTJIDSGSA-N 0 3 386.548 0.269 20 30 GCEDHN CNC(=O)CN1CCC(NC(=O)N2CCN(CC3CCOCC3)CC2)CC1 ZINC000329691317 1187006696 /nfs/dbraw/zinc/00/66/96/1187006696.db2.gz WHDAGTPFPZRTQF-UHFFFAOYSA-N 0 3 381.521 0.995 20 30 GCEDHN CC(C)NS(=O)(=O)NCCNCc1cn(CCC#N)nc1-c1ccncc1 ZINC000278735858 1187038963 /nfs/dbraw/zinc/03/89/63/1187038963.db2.gz UZYWFTLPXHXSQJ-UHFFFAOYSA-N 0 3 391.501 0.781 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@H]2O)CC1 ZINC001024130005 1187259050 /nfs/dbraw/zinc/25/90/50/1187259050.db2.gz ALDJJBQGZUNKGT-QQXMDYFESA-N 0 3 385.508 0.622 20 30 GCEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000658537445 1187337758 /nfs/dbraw/zinc/33/77/58/1187337758.db2.gz WKQMZLFHOMSZAO-KRWDZBQOSA-N 0 3 376.501 0.568 20 30 GCEDHN COC(=O)c1cn([C@H]2CCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)nn1 ZINC000612828359 1187599385 /nfs/dbraw/zinc/59/93/85/1187599385.db2.gz WKTZCHBBXDDQQV-HOTGVXAUSA-N 0 3 385.424 0.817 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000613102958 1187663771 /nfs/dbraw/zinc/66/37/71/1187663771.db2.gz JSDSYIXUHSQIIE-MRXNPFEDSA-N 0 3 393.451 0.986 20 30 GCEDHN CN(CCC#N)C[C@H](O)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000414122443 1187725546 /nfs/dbraw/zinc/72/55/46/1187725546.db2.gz ARICHSJIOSSWDP-RXVVDRJESA-N 0 3 399.495 0.779 20 30 GCEDHN C=C[C@H](CO)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000658916449 1187781860 /nfs/dbraw/zinc/78/18/60/1187781860.db2.gz PLRDBQBMBFAMTN-WBVHZDCISA-N 0 3 388.468 0.454 20 30 GCEDHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1 ZINC000376394935 1187812550 /nfs/dbraw/zinc/81/25/50/1187812550.db2.gz ITOVCPBDROXXBS-INIZCTEOSA-N 0 3 383.456 0.389 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)c(F)c2)CC1 ZINC000290334350 1188130022 /nfs/dbraw/zinc/13/00/22/1188130022.db2.gz WWARRUAPLUCIAB-UHFFFAOYSA-N 0 3 389.431 0.648 20 30 GCEDHN CCCc1c(NC(=O)C(=O)NC[C@@H]2CNCCO2)cnn1-c1cccc(C#N)c1 ZINC000415861146 1189384797 /nfs/dbraw/zinc/38/47/97/1189384797.db2.gz IEYAFFDMOZNUIS-INIZCTEOSA-N 0 3 396.451 0.740 20 30 GCEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000481099504 1189430776 /nfs/dbraw/zinc/43/07/76/1189430776.db2.gz FUODATGLMPLPTG-IRXDYDNUSA-N 0 3 398.511 0.838 20 30 GCEDHN CC#CC[C@H](CO)NCc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000641768557 1189649002 /nfs/dbraw/zinc/64/90/02/1189649002.db2.gz CAZTYYNMKJPWCW-QGZVFWFLSA-N 0 3 376.453 0.797 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1C(F)(F)F ZINC000566496484 1189695928 /nfs/dbraw/zinc/69/59/28/1189695928.db2.gz RTILWCANKQZMCN-GWCFXTLKSA-N 0 3 388.371 0.510 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1C(F)(F)F ZINC000566496485 1189696206 /nfs/dbraw/zinc/69/62/06/1189696206.db2.gz RTILWCANKQZMCN-GXFFZTMASA-N 0 3 388.371 0.510 20 30 GCEDHN 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/nfs/dbraw/zinc/05/77/10/1197057710.db2.gz JPPSJNRTEIPCPN-MRXNPFEDSA-N 0 3 394.497 0.142 20 30 GCEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000453641392 1197116348 /nfs/dbraw/zinc/11/63/48/1197116348.db2.gz VCNIHNLKVRWPFN-UHFFFAOYSA-N 0 3 383.452 0.572 20 30 GCEDHN CN1CC[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C[C@@H]21 ZINC000453918101 1197157270 /nfs/dbraw/zinc/15/72/70/1197157270.db2.gz NHDNESHJHBJVOJ-CJNGLKHVSA-N 0 3 382.399 0.984 20 30 GCEDHN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)C1=O ZINC000428554164 1197275125 /nfs/dbraw/zinc/27/51/25/1197275125.db2.gz RBUYYQCGVMSWIC-HNNXBMFYSA-N 0 3 386.408 0.169 20 30 GCEDHN CCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@@H]3CNc4c(C#N)cnn4C3)C2)no1 ZINC000532530779 1197324722 /nfs/dbraw/zinc/32/47/22/1197324722.db2.gz NYVIWCUBEWOEDM-HOCLYGCPSA-N 0 3 398.471 0.865 20 30 GCEDHN CN(C(=O)c1ccc(NC(=O)Cn2cnc(C#N)n2)cc1)[C@H]1CCCN(C)C1 ZINC000532865698 1197417266 /nfs/dbraw/zinc/41/72/66/1197417266.db2.gz 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C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923275267 1200918970 /nfs/dbraw/zinc/91/89/70/1200918970.db2.gz YSDSXACDWUWBII-IMJJTQAJSA-N 0 3 376.482 0.920 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000441913688 1200966537 /nfs/dbraw/zinc/96/65/37/1200966537.db2.gz WUVQDUUCVYKKRK-UHFFFAOYSA-N 0 3 381.440 0.939 20 30 GCEDHN C=C(C)CCN1C[C@H]2OCCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)[C@H]2C1 ZINC001083151240 1201392451 /nfs/dbraw/zinc/39/24/51/1201392451.db2.gz PSGSYTHOBDWQIK-FUMNGEBKSA-N 0 3 393.528 0.744 20 30 GCEDHN C#CCNC(=O)C1CCN(C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000731531313 1201487311 /nfs/dbraw/zinc/48/73/11/1201487311.db2.gz PIUKXOIMOSKLLX-KRWDZBQOSA-N 0 3 384.436 0.326 20 30 GCEDHN CC#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C[C@@H]21 ZINC001084995158 1201531250 /nfs/dbraw/zinc/53/12/50/1201531250.db2.gz NPTTYMZHWQDTTD-ZRNYENFQSA-N 0 3 375.513 0.812 20 30 GCEDHN CC(=O)c1cccc(O[C@@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909588 1201567875 /nfs/dbraw/zinc/56/78/75/1201567875.db2.gz DEYDZKYMYFTISA-BBRMVZONSA-N 0 3 392.433 0.622 20 30 GCEDHN COc1cccc(CO[C@@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732910816 1201569368 /nfs/dbraw/zinc/56/93/68/1201569368.db2.gz SONQNUSICTZMQY-BBRMVZONSA-N 0 3 394.449 0.566 20 30 GCEDHN COc1cccc(CO[C@@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732910819 1201569494 /nfs/dbraw/zinc/56/94/94/1201569494.db2.gz SONQNUSICTZMQY-XJKSGUPXSA-N 0 3 394.449 0.566 20 30 GCEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000739153508 1201740997 /nfs/dbraw/zinc/74/09/97/1201740997.db2.gz CWLGGDFDBBVXOQ-CYBMUJFWSA-N 0 3 391.387 0.902 20 30 GCEDHN COCCN1CC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000742655017 1201805335 /nfs/dbraw/zinc/80/53/35/1201805335.db2.gz ZHWGTUNUVZUOIB-KGLIPLIRSA-N 0 3 394.497 0.341 20 30 GCEDHN C=CCSCC(=O)N1CCn2c(nnc2C(=O)NC2CCN(C)CC2)C1 ZINC001273422121 1201844182 /nfs/dbraw/zinc/84/41/82/1201844182.db2.gz DQDGFLGXBUUTGF-UHFFFAOYSA-N 0 3 378.502 0.364 20 30 GCEDHN COC(=O)CC1(NCCC(=O)Nc2ccccc2C#N)CCS(=O)(=O)CC1 ZINC001169482320 1201948816 /nfs/dbraw/zinc/94/88/16/1201948816.db2.gz IXFNCMOAMOCGLG-UHFFFAOYSA-N 0 3 393.465 0.987 20 30 GCEDHN C[C@H](CC(=O)N[C@@H]1CCN(C2CC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742582252 1201995085 /nfs/dbraw/zinc/99/50/85/1201995085.db2.gz FCUOXFKXVKJMNV-CHWSQXEVSA-N 0 3 376.482 0.857 20 30 GCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N(C)C)C2 ZINC001109402109 1202038479 /nfs/dbraw/zinc/03/84/79/1202038479.db2.gz IEPLTJJHJBEKHG-DFEOGRTESA-N 0 3 375.517 0.810 20 30 GCEDHN C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)N(C)C)C2 ZINC001109401588 1202038632 /nfs/dbraw/zinc/03/86/32/1202038632.db2.gz ADJUEYUXGOAQLT-AESZEHBQSA-N 0 3 377.489 0.060 20 30 GCEDHN C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)N(C)CC)C2 ZINC001109466349 1202056802 /nfs/dbraw/zinc/05/68/02/1202056802.db2.gz WUJNYMIYIIMDDC-ILXRZTDVSA-N 0 3 379.505 0.450 20 30 GCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@@H]1n1ccnn1 ZINC001129939493 1205525224 /nfs/dbraw/zinc/52/52/24/1205525224.db2.gz GWTJESXEEWGAIY-IECFSIQFSA-N 0 3 375.473 0.637 20 30 GCEDHN C#CCNc1nc(N2CCN(CC)C[C@@H]2C)nc(N2CCN(CC)C[C@@H]2C)n1 ZINC000804793952 1205525944 /nfs/dbraw/zinc/52/59/44/1205525944.db2.gz ADXTYPIQNLGVKO-IRXDYDNUSA-N 0 3 386.548 0.399 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)CC1 ZINC000804890686 1205527593 /nfs/dbraw/zinc/52/75/93/1205527593.db2.gz VUHXEEXESPJAPJ-UHFFFAOYSA-N 0 3 393.557 0.779 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2ccnn2C)[n-]1 ZINC001130229738 1205538939 /nfs/dbraw/zinc/53/89/39/1205538939.db2.gz CLWMHTWLJHOTCW-NHIYQJMISA-N 0 3 383.456 0.053 20 30 GCEDHN O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000747343314 1205562820 /nfs/dbraw/zinc/56/28/20/1205562820.db2.gz QTAFRPXFERWTII-ZIAGYGMSSA-N 0 3 392.481 0.095 20 30 GCEDHN C#CCCCNC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000806912777 1205570006 /nfs/dbraw/zinc/57/00/06/1205570006.db2.gz LDJZRDOUIRBWLD-IBGZPJMESA-N 0 3 397.523 0.972 20 30 GCEDHN C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)n[n-]2)O1 ZINC001130809269 1205572502 /nfs/dbraw/zinc/57/25/02/1205572502.db2.gz OXUBJIJSWOCHSA-DSJMHWKBSA-N 0 3 383.456 0.401 20 30 GCEDHN C#C[C@@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCCO1 ZINC000807767941 1205590021 /nfs/dbraw/zinc/59/00/21/1205590021.db2.gz XWECJEJPDROIAN-UXHICEINSA-N 0 3 399.491 0.557 20 30 GCEDHN CC[C@@H]1CCO[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC#N)CC1 ZINC001131515553 1205615080 /nfs/dbraw/zinc/61/50/80/1205615080.db2.gz RJBFVFVTJWGOEJ-JZGRTCEGSA-N 0 3 392.500 0.427 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000809305545 1205621453 /nfs/dbraw/zinc/62/14/53/1205621453.db2.gz FKCVTHTVACCEFV-RBUKOAKNSA-N 0 3 382.464 0.745 20 30 GCEDHN COc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1C#N ZINC000809504262 1205626423 /nfs/dbraw/zinc/62/64/23/1205626423.db2.gz SBFUODHFOJLDIN-KRWDZBQOSA-N 0 3 388.468 0.752 20 30 GCEDHN Cc1nc(C#N)c(N2CCC(C(=O)NCCN(C)CCOCCO)CC2)o1 ZINC001175821752 1205741877 /nfs/dbraw/zinc/74/18/77/1205741877.db2.gz FZZMVHKVNBFOPM-UHFFFAOYSA-N 0 3 379.461 0.128 20 30 GCEDHN CCOC(=O)CO/N=C(\C(=O)NCCc1c[nH]c2ccncc12)c1cc[nH]n1 ZINC001177265903 1205765936 /nfs/dbraw/zinc/76/59/36/1205765936.db2.gz FRBPBTYVGSMWSM-ULJHMMPZSA-N 0 3 384.396 0.929 20 30 GCEDHN CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN1C1CCOCC1)c1cc[nH]n1 ZINC001178942682 1205797276 /nfs/dbraw/zinc/79/72/76/1205797276.db2.gz YBSYNOUBVPRKPU-AWEZNQCLSA-N 0 3 393.444 0.063 20 30 GCEDHN COC(=O)CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CCOCC1 ZINC000774639611 1205894014 /nfs/dbraw/zinc/89/40/14/1205894014.db2.gz LGKDIWBMBBLBBC-SFHVURJKSA-N 0 3 394.516 0.723 20 30 GCEDHN C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573282466 946693522 /nfs/dbraw/zinc/69/35/22/946693522.db2.gz JFTBFZDOMLTUDZ-QWHCGFSZSA-N 0 3 383.460 0.307 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573284965 946762309 /nfs/dbraw/zinc/76/23/09/946762309.db2.gz BGAZGVLZMNWIHA-AWEZNQCLSA-N 0 3 385.497 0.764 20 30 GCEDHN C#CCOCCC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573287173 946829344 /nfs/dbraw/zinc/82/93/44/946829344.db2.gz MATNYBCBAPRLKZ-INIZCTEOSA-N 0 3 384.440 0.606 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567730 947054520 /nfs/dbraw/zinc/05/45/20/947054520.db2.gz RNOFOOSIEWZKJP-GXTWGEPZSA-N 0 3 387.419 0.873 20 30 GCEDHN C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573584587 947225873 /nfs/dbraw/zinc/22/58/73/947225873.db2.gz YUSYRLBCVCDIQP-AWEZNQCLSA-N 0 3 382.472 0.697 20 30 GCEDHN C=CCn1cc(C(=O)NCCC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)nn1 ZINC001573350253 947594017 /nfs/dbraw/zinc/59/40/17/947594017.db2.gz AYZZLURKVCBJHE-UHFFFAOYSA-N 0 3 385.407 0.693 20 30 GCEDHN O=C(NCCS(=O)(=O)N1CCSCC1)NC1CCN(C2CC2)CC1 ZINC000328640384 530148748 /nfs/dbraw/zinc/14/87/48/530148748.db2.gz CNCUHGLUFXNXMV-UHFFFAOYSA-N 0 3 376.548 0.495 20 30 GCEDHN CCCCN(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000566479589 530277174 /nfs/dbraw/zinc/27/71/74/530277174.db2.gz QYLASISDIIOGPD-UHFFFAOYSA-N 0 3 388.515 0.499 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1Br ZINC000583154451 530334365 /nfs/dbraw/zinc/33/43/65/530334365.db2.gz BMKYIOPBFFTCBP-ZWNOBZJWSA-N 0 3 399.270 0.253 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000588288961 530342393 /nfs/dbraw/zinc/34/23/93/530342393.db2.gz PZMZITRGHKFFLP-RYUDHWBXSA-N 0 3 385.467 0.929 20 30 GCEDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNC[C@@H](O)CN(C)CCC#N ZINC000563010137 530349962 /nfs/dbraw/zinc/34/99/62/530349962.db2.gz GAHXRDQXJDNMRO-OAHLLOKOSA-N 0 3 388.921 0.723 20 30 GCEDHN C[C@@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)NCCN(C)C ZINC000583450005 530353516 /nfs/dbraw/zinc/35/35/16/530353516.db2.gz CKXIJCLHQSKGCC-LLVKDONJSA-N 0 3 397.273 0.882 20 30 GCEDHN CS(=O)(=O)N1CCC(CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000566792248 530397532 /nfs/dbraw/zinc/39/75/32/530397532.db2.gz ONGRDBGANFWMFB-UHFFFAOYSA-N 0 3 385.511 0.593 20 30 GCEDHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000291498357 530492868 /nfs/dbraw/zinc/49/28/68/530492868.db2.gz RVDDXSZGVTVLLT-GJZGRUSLSA-N 0 3 382.511 0.341 20 30 GCEDHN N#Cc1ccc(OC[C@H](O)CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000570564520 530501595 /nfs/dbraw/zinc/50/15/95/530501595.db2.gz SRAPXMOLSZEYFG-CQSZACIVSA-N 0 3 381.479 0.928 20 30 GCEDHN CCS(=O)(=O)N1CCC(NC(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000328813636 530517979 /nfs/dbraw/zinc/51/79/79/530517979.db2.gz NKJMFUMVOPFSHU-OAHLLOKOSA-N 0 3 378.564 0.741 20 30 GCEDHN CCS(=O)(=O)N1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)CC1 ZINC000328948340 530518732 /nfs/dbraw/zinc/51/87/32/530518732.db2.gz BTXCHWYDTPENKA-GJZGRUSLSA-N 0 3 376.523 0.365 20 30 GCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000330898768 530532842 /nfs/dbraw/zinc/53/28/42/530532842.db2.gz NDPRGRRRUZAHCP-HNNXBMFYSA-N 0 3 376.523 0.367 20 30 GCEDHN C#CC[N@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[n-]1 ZINC000293870013 530567100 /nfs/dbraw/zinc/56/71/00/530567100.db2.gz BUZKLXAZPHFZTP-UHFFFAOYSA-N 0 3 384.527 0.437 20 30 GCEDHN C#CC[N@@H+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[n-]1 ZINC000293870013 530567103 /nfs/dbraw/zinc/56/71/03/530567103.db2.gz BUZKLXAZPHFZTP-UHFFFAOYSA-N 0 3 384.527 0.437 20 30 GCEDHN C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000293870013 530567104 /nfs/dbraw/zinc/56/71/04/530567104.db2.gz BUZKLXAZPHFZTP-UHFFFAOYSA-N 0 3 384.527 0.437 20 30 GCEDHN C=CCN1CC[C@@H](N(C)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1=O ZINC000296208179 530568694 /nfs/dbraw/zinc/56/86/94/530568694.db2.gz WKPVHBXLLZWQAC-MNOVXSKESA-N 0 3 386.392 0.919 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCSC1 ZINC000329231645 530608770 /nfs/dbraw/zinc/60/87/70/530608770.db2.gz KUAPZKASTLKSAB-CJNGLKHVSA-N 0 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385.468 0.631 20 30 GCEDHN CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 ZINC000276927055 1186156834 /nfs/dbraw/zinc/15/68/34/1186156834.db2.gz SJIAYKRSNCPMDE-QZTJIDSGSA-N 0 3 385.468 0.631 20 30 GCEDHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000277334234 1186338902 /nfs/dbraw/zinc/33/89/02/1186338902.db2.gz WSNICRQDXFYWKR-QZTJIDSGSA-N 0 3 385.468 0.679 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000582731313 1186630427 /nfs/dbraw/zinc/63/04/27/1186630427.db2.gz AHHBFOPYEVDZOG-CQSZACIVSA-N 0 3 383.456 0.606 20 30 GCEDHN Cc1nc2c(n1CCO)CC[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C2 ZINC000583263329 1186810320 /nfs/dbraw/zinc/81/03/20/1186810320.db2.gz DUKXKBFVKXFQMQ-HNNXBMFYSA-N 0 3 389.481 0.371 20 30 GCEDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000572948962 1186820706 /nfs/dbraw/zinc/82/07/06/1186820706.db2.gz ZGBKPDVYMCOJNC-KRWDZBQOSA-N 0 3 398.511 0.838 20 30 GCEDHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000329326803 1186914835 /nfs/dbraw/zinc/91/48/35/1186914835.db2.gz WVTTWQBWLPJSTR-AWEZNQCLSA-N 0 3 397.501 0.748 20 30 GCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001023913135 1187168795 /nfs/dbraw/zinc/16/87/95/1187168795.db2.gz BWFXJGPXWPCXFX-FAJBIJEISA-N 0 3 379.501 0.530 20 30 GCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC000650862153 1187194237 /nfs/dbraw/zinc/19/42/37/1187194237.db2.gz OLUUCEFEOKABJE-HXUWFJFHSA-N 0 3 384.436 0.744 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@H]2O)CC1 ZINC001024131585 1187261177 /nfs/dbraw/zinc/26/11/77/1187261177.db2.gz LAAQZCQRWVJEQD-BRSBDYLESA-N 0 3 375.513 0.702 20 30 GCEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN([C@H](C)CO)CC1 ZINC000364939533 1187473735 /nfs/dbraw/zinc/47/37/35/1187473735.db2.gz XXYFEHZFDYSZCV-HUUCEWRRSA-N 0 3 394.497 0.140 20 30 GCEDHN 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N#CC(C(=O)CCCNC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909064 1201568618 /nfs/dbraw/zinc/56/86/18/1201568618.db2.gz XMGUTNVWZHLMKS-HNNXBMFYSA-N 0 3 391.449 0.162 20 30 GCEDHN CCCOc1ccc(OCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732910823 1201569273 /nfs/dbraw/zinc/56/92/73/1201569273.db2.gz SQINKHGUAGYHEU-INIZCTEOSA-N 0 3 394.449 0.820 20 30 GCEDHN COc1ccc(OCCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000732909991 1201569565 /nfs/dbraw/zinc/56/95/65/1201569565.db2.gz IRJVJFAWMFWPRK-MRXNPFEDSA-N 0 3 394.449 0.820 20 30 GCEDHN C=CCN1CCC(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000741218211 1201763755 /nfs/dbraw/zinc/76/37/55/1201763755.db2.gz LQORLESZSZTUIS-UHFFFAOYSA-N 0 3 380.489 0.832 20 30 GCEDHN N#C[C@H]1COCCN1CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000742167385 1201790239 /nfs/dbraw/zinc/79/02/39/1201790239.db2.gz FHQRZCNAANTAJL-PXNSSMCTSA-N 0 3 383.452 0.755 20 30 GCEDHN C[C@H](CC(=O)NC[C@@H](C1CC1)[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742561741 1201799677 /nfs/dbraw/zinc/79/96/77/1201799677.db2.gz VPWKGVFJMJNCGO-DOMZBBRYSA-N 0 3 378.498 0.960 20 30 GCEDHN C[C@H](CC(=O)N1CC[C@@H](C[NH+](C)C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742678536 1201805090 /nfs/dbraw/zinc/80/50/90/1201805090.db2.gz QMNDHWOFJPMWEQ-KGLIPLIRSA-N 0 3 378.498 0.914 20 30 GCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC[C@H]1C)C2 ZINC001109718382 1202109620 /nfs/dbraw/zinc/10/96/20/1202109620.db2.gz FRHCUINJJHPJET-BDXSIMOUSA-N 0 3 375.517 0.954 20 30 GCEDHN C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CCN(C(C)(C)C)C1)C2 ZINC001109719384 1202111551 /nfs/dbraw/zinc/11/15/51/1202111551.db2.gz HEFFEZGNZKBQLB-NARAOEGZSA-N 0 3 378.492 0.670 20 30 GCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787758142 1205400428 /nfs/dbraw/zinc/40/04/28/1205400428.db2.gz HWXUEPDKNJKOTL-INIZCTEOSA-N 0 3 388.472 0.051 20 30 GCEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787758163 1205400492 /nfs/dbraw/zinc/40/04/92/1205400492.db2.gz HWXUEPDKNJKOTL-MRXNPFEDSA-N 0 3 388.472 0.051 20 30 GCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000787758675 1205400717 /nfs/dbraw/zinc/40/07/17/1205400717.db2.gz ITAAOTTWFIPZDS-KRWDZBQOSA-N 0 3 384.484 0.958 20 30 GCEDHN C#CCNc1nc(N2CCN(CC)[C@@H](C)C2)nc(N2CCN(CC)[C@@H](C)C2)n1 ZINC000804574075 1205518286 /nfs/dbraw/zinc/51/82/86/1205518286.db2.gz KAVWEZMPWZQYRN-IRXDYDNUSA-N 0 3 386.548 0.399 20 30 GCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2OCC[C@H]2CC)[n-]1 ZINC001130220554 1205536660 /nfs/dbraw/zinc/53/66/60/1205536660.db2.gz DDQUSRFDKBBEDJ-AESZEHBQSA-N 0 3 375.473 0.721 20 30 GCEDHN C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccncc1 ZINC000805806614 1205544627 /nfs/dbraw/zinc/54/46/27/1205544627.db2.gz RWOBKEYIWLOABP-ROUUACIJSA-N 0 3 399.495 0.580 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCCO1 ZINC000807767942 1205589986 /nfs/dbraw/zinc/58/99/86/1205589986.db2.gz XWECJEJPDROIAN-VQTJNVASSA-N 0 3 399.491 0.557 20 30 GCEDHN C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)CN2CCCC2)ccc1F ZINC000808223043 1205602816 /nfs/dbraw/zinc/60/28/16/1205602816.db2.gz ZHMPPYXCBZHQKZ-CQSZACIVSA-N 0 3 385.461 0.477 20 30 GCEDHN C#CCN1CCN(C(=O)CN(C)[C@@H](C)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000808776353 1205612117 /nfs/dbraw/zinc/61/21/17/1205612117.db2.gz UEVDYZPBTGRSFG-KRWDZBQOSA-N 0 3 398.573 0.146 20 30 GCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001131503253 1205613407 /nfs/dbraw/zinc/61/34/07/1205613407.db2.gz UPBVZTJEGIEIEF-WQDJSCAQSA-N 0 3 377.485 0.311 20 30 GCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001131567133 1205618369 /nfs/dbraw/zinc/61/83/69/1205618369.db2.gz BHTDLQIBFXSKPB-JZGRTCEGSA-N 0 3 379.501 0.699 20 30 GCEDHN N#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001131570094 1205618556 /nfs/dbraw/zinc/61/85/56/1205618556.db2.gz AVTMMYBFEIMQCC-RXYDEIHYSA-N 0 3 390.484 0.179 20 30 GCEDHN C#C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1)[C@H]1CCCO1 ZINC000809308249 1205621679 /nfs/dbraw/zinc/62/16/79/1205621679.db2.gz GWJSCSVDIQYQGL-RTBURBONSA-N 0 3 387.480 0.882 20 30 GCEDHN COc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1C#N ZINC000809504265 1205626507 /nfs/dbraw/zinc/62/65/07/1205626507.db2.gz SBFUODHFOJLDIN-QGZVFWFLSA-N 0 3 388.468 0.752 20 30 GCEDHN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC000810366380 1205635958 /nfs/dbraw/zinc/63/59/58/1205635958.db2.gz JXIJOZGNPUEUQD-UONOGXRCSA-N 0 3 395.423 0.057 20 30 GCEDHN C[C@@H](Cc1ccc(C#N)cc1)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172307148 1205715595 /nfs/dbraw/zinc/71/55/95/1205715595.db2.gz BYHCCGXCJYHPLJ-LIRRHRJNSA-N 0 3 380.448 0.997 20 30 GCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]1C ZINC001179178870 1205803402 /nfs/dbraw/zinc/80/34/02/1205803402.db2.gz CINITUDCGKTHPZ-XSOIWRAYSA-N 0 3 376.457 0.001 20 30 GCEDHN COC(=O)CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CCOCC1 ZINC000774639604 1205893916 /nfs/dbraw/zinc/89/39/16/1205893916.db2.gz LGKDIWBMBBLBBC-GOSISDBHSA-N 0 3 394.516 0.723 20 30 GCEDHN CCOC(=O)C(C#N)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC ZINC001187091580 1205955206 /nfs/dbraw/zinc/95/52/06/1205955206.db2.gz ZTVSYSLPGASOOB-UPJWGTAASA-N 0 3 397.428 0.604 20 30 GCEDHN C=CCOCCN1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1 ZINC001189109975 1205995471 /nfs/dbraw/zinc/99/54/71/1205995471.db2.gz HKAYZJHJCHXCKV-MANSERQUSA-N 0 3 391.512 0.892 20 30 GCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573285809 946790097 /nfs/dbraw/zinc/79/00/97/946790097.db2.gz OAPBEJPEBZRRBW-UONOGXRCSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573285809 946790106 /nfs/dbraw/zinc/79/01/06/946790106.db2.gz OAPBEJPEBZRRBW-UONOGXRCSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573286230 946798965 /nfs/dbraw/zinc/79/89/65/946798965.db2.gz WSFCPJDGTBOKJR-QAPCUYQASA-N 0 3 381.484 0.949 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573286230 946798969 /nfs/dbraw/zinc/79/89/69/946798969.db2.gz WSFCPJDGTBOKJR-QAPCUYQASA-N 0 3 381.484 0.949 20 30 GCEDHN C#Cc1cncc(C(=O)N(CCO)CC[NH2+]Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001573291179 946915856 /nfs/dbraw/zinc/91/58/56/946915856.db2.gz YCNRUYHLQLZINX-UHFFFAOYSA-N 0 3 391.435 0.467 20 30 GCEDHN C#Cc1cncc(C(=O)N(CCO)CC[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001573291179 946915864 /nfs/dbraw/zinc/91/58/64/946915864.db2.gz YCNRUYHLQLZINX-UHFFFAOYSA-N 0 3 391.435 0.467 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573564879 946999078 /nfs/dbraw/zinc/99/90/78/946999078.db2.gz MMYBZKKNJROBSD-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573564879 946999087 /nfs/dbraw/zinc/99/90/87/946999087.db2.gz MMYBZKKNJROBSD-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573564879 946999095 /nfs/dbraw/zinc/99/90/95/946999095.db2.gz MMYBZKKNJROBSD-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573564879 946999100 /nfs/dbraw/zinc/99/91/00/946999100.db2.gz MMYBZKKNJROBSD-CQSZACIVSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC001573564911 946999759 /nfs/dbraw/zinc/99/97/59/946999759.db2.gz MVHYVNDRVUXJRQ-GFCCVEGCSA-N 0 3 387.419 0.609 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567733 947054346 /nfs/dbraw/zinc/05/43/46/947054346.db2.gz RNOFOOSIEWZKJP-TZMCWYRMSA-N 0 3 387.419 0.873 20 30 GCEDHN C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573300356 947109535 /nfs/dbraw/zinc/10/95/35/947109535.db2.gz OVIIDFALGUKWMY-DYVFJYSZSA-N 0 3 385.472 0.932 20 30 GCEDHN C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOCC1 ZINC001573577097 947162322 /nfs/dbraw/zinc/16/23/22/947162322.db2.gz MBAGTZRKZAETPY-LBPRGKRZSA-N 0 3 387.419 0.920 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573334760 947464572 /nfs/dbraw/zinc/46/45/72/947464572.db2.gz HYGWNAMTGDEOME-ZDUSSCGKSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573334760 947464576 /nfs/dbraw/zinc/46/45/76/947464576.db2.gz HYGWNAMTGDEOME-ZDUSSCGKSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCN(CC=C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573340869 947521777 /nfs/dbraw/zinc/52/17/77/947521777.db2.gz BXTUWRGDCCCCMC-OKILXGFUSA-N 0 3 384.444 0.246 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573351945 947623767 /nfs/dbraw/zinc/62/37/67/947623767.db2.gz XYYOGAZBKPTQDW-ZENOOKHLSA-N 0 3 390.419 0.164 20 30 GCEDHN CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573359000 947677064 /nfs/dbraw/zinc/67/70/64/947677064.db2.gz TZBDHYPGITWJFO-PBHICJAKSA-N 0 3 383.456 0.817 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1 ZINC000287144461 530406321 /nfs/dbraw/zinc/40/63/21/530406321.db2.gz LVMMVPWSDRBNSA-NSHDSACASA-N 0 3 388.471 0.433 20 30 GCEDHN C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)NCCN(C)C ZINC000571461917 530507253 /nfs/dbraw/zinc/50/72/53/530507253.db2.gz VVSVZYAQBZGHRE-NSHDSACASA-N 0 3 397.273 0.882 20 30 GCEDHN COCCN1CCC(NC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000328695082 530517516 /nfs/dbraw/zinc/51/75/16/530517516.db2.gz SUPCFQPZLJJELW-UHFFFAOYSA-N 0 3 376.523 0.272 20 30 GCEDHN CC[C@H]1CCCCN1CCNC(=O)N1CCC(NS(=O)(=O)NC)CC1 ZINC000331337500 530546259 /nfs/dbraw/zinc/54/62/59/530546259.db2.gz JESGITFXKAXGLR-HNNXBMFYSA-N 0 3 375.539 0.683 20 30 GCEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000330941592 530533385 /nfs/dbraw/zinc/53/33/85/530533385.db2.gz YSROCAHLTPYZSS-GJZGRUSLSA-N 0 3 376.523 0.367 20 30 GCEDHN C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC([N@H+](C)CCO)CC2)s1 ZINC000331109501 530538675 /nfs/dbraw/zinc/53/86/75/530538675.db2.gz IISUZWWZGUJZPB-UHFFFAOYSA-N 0 3 390.531 0.459 20 30 GCEDHN C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CCC([N@@H+](C)CCO)CC2)s1 ZINC000331109501 530538678 /nfs/dbraw/zinc/53/86/78/530538678.db2.gz IISUZWWZGUJZPB-UHFFFAOYSA-N 0 3 390.531 0.459 20 30 GCEDHN C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349477655 530647277 /nfs/dbraw/zinc/64/72/77/530647277.db2.gz JBFYWDZJXAHOIL-GJZGRUSLSA-N 0 3 392.547 0.050 20 30 GCEDHN C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349477657 530647528 /nfs/dbraw/zinc/64/75/28/530647528.db2.gz JBFYWDZJXAHOIL-LSDHHAIUSA-N 0 3 392.547 0.050 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000349487402 530652772 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CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000499778834 530942547 /nfs/dbraw/zinc/94/25/47/530942547.db2.gz GQMVOIKLDNOSMN-OAHLLOKOSA-N 0 3 381.230 0.442 20 30 GCEDHN C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)cc1 ZINC000270497566 531005594 /nfs/dbraw/zinc/00/55/94/531005594.db2.gz PFWOJNUXVKKQHP-CVEARBPZSA-N 0 3 381.523 0.716 20 30 GCEDHN C=CCS(=O)(=O)CCNC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000272802375 531007553 /nfs/dbraw/zinc/00/75/53/531007553.db2.gz BPLGEHUSZJZDPM-UHFFFAOYSA-N 0 3 390.531 0.370 20 30 GCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826077368 608019582 /nfs/dbraw/zinc/01/95/82/608019582.db2.gz FYNDEPIXJOEGLF-UHFFFAOYSA-N 0 3 380.416 0.664 20 30 GCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823877813 608035422 /nfs/dbraw/zinc/03/54/22/608035422.db2.gz GJDJIAYZUSYKCW-GFCCVEGCSA-N 0 3 375.481 0.850 20 30 GCEDHN C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000823877813 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/nfs/dbraw/zinc/47/47/17/1201474717.db2.gz LFWOUEZXLKDOEF-HZPDHXFCSA-N 0 3 392.481 0.390 20 30 GCEDHN C#CCNC(=O)C1CCN(C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000731531314 1201487337 /nfs/dbraw/zinc/48/73/37/1201487337.db2.gz PIUKXOIMOSKLLX-QGZVFWFLSA-N 0 3 384.436 0.326 20 30 GCEDHN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909007 1201568480 /nfs/dbraw/zinc/56/84/80/1201568480.db2.gz VKDSZMXPHFXVHL-DYVFJYSZSA-N 0 3 390.461 0.908 20 30 GCEDHN CN(CC(=O)C(C#N)C(=O)N1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000739144338 1201741113 /nfs/dbraw/zinc/74/11/13/1201741113.db2.gz RRWVJEAPVDZUEW-CQSZACIVSA-N 0 3 394.409 0.547 20 30 GCEDHN C=CCNC(=O)C(C#N)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 ZINC000744029962 1201833363 /nfs/dbraw/zinc/83/33/63/1201833363.db2.gz XWWHYADYUGSELF-AWEZNQCLSA-N 0 3 388.449 0.859 20 30 GCEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744033527 1201833972 /nfs/dbraw/zinc/83/39/72/1201833972.db2.gz SKIJWQMOWCEFPK-YPMHNXCESA-N 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COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)C(C#N)C(=O)NC2CC2)C1=O ZINC000771581336 1202147967 /nfs/dbraw/zinc/14/79/67/1202147967.db2.gz AGFPHJVYRKBFCG-CWTRNNRKSA-N 0 3 384.392 0.450 20 30 GCEDHN C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787634086 1205396199 /nfs/dbraw/zinc/39/61/99/1205396199.db2.gz CQTYFYTZQYLWOG-MCIONIFRSA-N 0 3 376.482 0.524 20 30 GCEDHN C[C@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787634086 1205396200 /nfs/dbraw/zinc/39/62/00/1205396200.db2.gz CQTYFYTZQYLWOG-MCIONIFRSA-N 0 3 376.482 0.524 20 30 GCEDHN Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)c1C#N ZINC000788103096 1205413223 /nfs/dbraw/zinc/41/32/23/1205413223.db2.gz OLWPKSLEQGNPLT-HOTGVXAUSA-N 0 3 387.488 0.295 20 30 GCEDHN CCOC(=O)CON=C(C(=O)NC[C@H]1N(C)CCCC1(C)C)c1cc[nH]n1 ZINC000791144830 1205473905 /nfs/dbraw/zinc/47/39/05/1205473905.db2.gz FTKLRDIZAUIMMB-CQSZACIVSA-N 0 3 379.461 0.930 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)NCc2cccnc2-n2ccnc2C)CC1 ZINC000793806949 1205506729 /nfs/dbraw/zinc/50/67/29/1205506729.db2.gz NWMJLBNRUXOSIQ-UHFFFAOYSA-N 0 3 382.468 0.959 20 30 GCEDHN C#CCNc1nc(N2C[C@@H](C)N(C)C[C@H]2C)nc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000804588735 1205518543 /nfs/dbraw/zinc/51/85/43/1205518543.db2.gz PRIDGQFKAPRVKL-WNKDZCFJSA-N 0 3 386.548 0.396 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NCCOCC(C)C)[C@@H](n2ccnn2)C1 ZINC001130009500 1205529453 /nfs/dbraw/zinc/52/94/53/1205529453.db2.gz RYVSFGWFNRMKMB-BDXSIMOUSA-N 0 3 377.489 0.883 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NCCOCCOC)[C@@H](n2ccnn2)C1 ZINC001130038256 1205530045 /nfs/dbraw/zinc/53/00/45/1205530045.db2.gz UXZXEVDXSJOBQD-MHORFTMASA-N 0 3 393.488 0.264 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[n-]1 ZINC001130212851 1205536955 /nfs/dbraw/zinc/53/69/55/1205536955.db2.gz HLADONFPKFXSFZ-YVSFHVDLSA-N 0 3 387.484 0.888 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[n-]1 ZINC001130240450 1205539145 /nfs/dbraw/zinc/53/91/45/1205539145.db2.gz OZZYZHBOTIEREO-JONQDZQNSA-N 0 3 383.456 0.053 20 30 GCEDHN COCC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[C@@H](C)O2)[n-]1 ZINC001130240723 1205539379 /nfs/dbraw/zinc/53/93/79/1205539379.db2.gz ZLTCBOKFQJZHGG-QXSJWSMHSA-N 0 3 391.472 0.100 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CC)[n-]1 ZINC001130242403 1205539567 /nfs/dbraw/zinc/53/95/67/1205539567.db2.gz VNBBTSLAACJGED-OVWQWFNUSA-N 0 3 387.484 0.888 20 30 GCEDHN CC[C@@H]1C[C@H]1C(=O)NCc1n[n-]c([C@H]2CC[C@@H](C[NH2+]CC#CCOC)O2)n1 ZINC001130804489 1205571466 /nfs/dbraw/zinc/57/14/66/1205571466.db2.gz GWINNLPEXJQTIY-QKPAOTATSA-N 0 3 375.473 0.927 20 30 GCEDHN CN(C)CCN1c2ccccc2C(=NNC(=S)NC[C@H]2CCCO2)C1=O ZINC000807948483 1205595117 /nfs/dbraw/zinc/59/51/17/1205595117.db2.gz JWGXUFFDNZYPDM-CYBMUJFWSA-N 0 3 375.498 0.942 20 30 GCEDHN C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)ccc1F ZINC000808157896 1205600737 /nfs/dbraw/zinc/60/07/37/1205600737.db2.gz RACTYSHUFHJGTH-HUUCEWRRSA-N 0 3 397.472 0.571 20 30 GCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001131570970 1205618752 /nfs/dbraw/zinc/61/87/52/1205618752.db2.gz VPOLTNLNEXKRPM-KLBVCGFUSA-N 0 3 391.512 0.842 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCCO1 ZINC000809306612 1205621473 /nfs/dbraw/zinc/62/14/73/1205621473.db2.gz SPESMQMIPUMMOG-VQTJNVASSA-N 0 3 398.507 0.844 20 30 GCEDHN Cn1cc(C(=O)NC[C@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cn1 ZINC001175202159 1205735612 /nfs/dbraw/zinc/73/56/12/1205735612.db2.gz CPSLHCFUFQEUBU-IAGOWNOFSA-N 0 3 375.473 0.686 20 30 GCEDHN CN(C)CCN1CCN(C)C2(CCN(C(=O)C#Cc3ccccn3)CC2)C1=O ZINC001177800704 1205777192 /nfs/dbraw/zinc/77/71/92/1205777192.db2.gz GAJHMFVKXICJLS-UHFFFAOYSA-N 0 3 383.496 0.130 20 30 GCEDHN C=CCN1CCC[C@H]1CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001178503147 1205788957 /nfs/dbraw/zinc/78/89/57/1205788957.db2.gz KDQVSYACAUHLTL-HNNXBMFYSA-N 0 3 380.489 0.832 20 30 GCEDHN COc1ncnc(N(C(=O)C(C)C#N)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001179894805 1205815448 /nfs/dbraw/zinc/81/54/48/1205815448.db2.gz NCTWDZYCHOEZPT-JTQLQIEISA-N 0 3 391.409 0.958 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573284921 946762922 /nfs/dbraw/zinc/76/29/22/946762922.db2.gz AMEQEHSILVXBLR-GUYCJALGSA-N 0 3 385.447 0.698 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573285807 946789074 /nfs/dbraw/zinc/78/90/74/946789074.db2.gz OAPBEJPEBZRRBW-KBPBESRZSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573285807 946789080 /nfs/dbraw/zinc/78/90/80/946789080.db2.gz OAPBEJPEBZRRBW-KBPBESRZSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573285810 946789406 /nfs/dbraw/zinc/78/94/06/946789406.db2.gz OAPBEJPEBZRRBW-ZIAGYGMSSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573285810 946789412 /nfs/dbraw/zinc/78/94/12/946789412.db2.gz OAPBEJPEBZRRBW-ZIAGYGMSSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001573285808 946789663 /nfs/dbraw/zinc/78/96/63/946789663.db2.gz OAPBEJPEBZRRBW-KGLIPLIRSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001573285808 946789671 /nfs/dbraw/zinc/78/96/71/946789671.db2.gz OAPBEJPEBZRRBW-KGLIPLIRSA-N 0 3 386.456 0.850 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573285990 946791326 /nfs/dbraw/zinc/79/13/26/946791326.db2.gz QXIFRYKSDQHXGB-KBPBESRZSA-N 0 3 386.431 0.982 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285990 946791332 /nfs/dbraw/zinc/79/13/32/946791332.db2.gz QXIFRYKSDQHXGB-KBPBESRZSA-N 0 3 386.431 0.982 20 30 GCEDHN C#Cc1ccc(C(=O)NCCNCc2cc(-c3nn[nH]n3)ccc2OC)cn1 ZINC001573286956 946822510 /nfs/dbraw/zinc/82/25/10/946822510.db2.gz CVJCDMJPMDYYPV-UHFFFAOYSA-N 0 3 377.408 0.771 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573568083 947064623 /nfs/dbraw/zinc/06/46/23/947064623.db2.gz XGZAVHMSLVUXQT-TZMCWYRMSA-N 0 3 387.419 0.873 20 30 GCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573300354 947108812 /nfs/dbraw/zinc/10/88/12/947108812.db2.gz OVIIDFALGUKWMY-CXAGYDPISA-N 0 3 385.472 0.932 20 30 GCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC001573310105 947218435 /nfs/dbraw/zinc/21/84/35/947218435.db2.gz UBDXJQSLSCXDID-AUUYWEPGSA-N 0 3 386.456 0.893 20 30 GCEDHN C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC001573310105 947218442 /nfs/dbraw/zinc/21/84/42/947218442.db2.gz UBDXJQSLSCXDID-AUUYWEPGSA-N 0 3 386.456 0.893 20 30 GCEDHN CC(C)N1CCCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000328660586 530153735 /nfs/dbraw/zinc/15/37/35/530153735.db2.gz VQCCOLPOPHQFAB-UHFFFAOYSA-N 0 3 378.564 0.695 20 30 GCEDHN COCCN(CCC#N)S(=O)(=O)N1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000409508589 530229638 /nfs/dbraw/zinc/22/96/38/530229638.db2.gz SEXYEDPDJLMROP-CABCVRRESA-N 0 3 376.548 0.605 20 30 GCEDHN N#Cc1ccc(OC[C@@H](O)CNCCNS(=O)(=O)c2cccs2)cc1 ZINC000570564519 530321295 /nfs/dbraw/zinc/32/12/95/530321295.db2.gz SRAPXMOLSZEYFG-AWEZNQCLSA-N 0 3 381.479 0.928 20 30 GCEDHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000582332091 530327500 /nfs/dbraw/zinc/32/75/00/530327500.db2.gz UBTOBRJHEPDZBG-HUUCEWRRSA-N 0 3 382.511 0.341 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCNS(C)(=O)=O)cc1 ZINC000287144458 530406340 /nfs/dbraw/zinc/40/63/40/530406340.db2.gz LVMMVPWSDRBNSA-LLVKDONJSA-N 0 3 388.471 0.433 20 30 GCEDHN CCS(=O)(=O)N1CCC(NC(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000328813630 530518056 /nfs/dbraw/zinc/51/80/56/530518056.db2.gz NKJMFUMVOPFSHU-HNNXBMFYSA-N 0 3 378.564 0.741 20 30 GCEDHN N#Cc1ccc(OC[C@H](O)CNCCS(=O)(=O)N2CCSCC2)cc1 ZINC000573477422 530524380 /nfs/dbraw/zinc/52/43/80/530524380.db2.gz GQTZKXHQYHDQBF-OAHLLOKOSA-N 0 3 385.511 0.266 20 30 GCEDHN N#CCNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 ZINC000563427996 530525568 /nfs/dbraw/zinc/52/55/68/530525568.db2.gz RDDQQNQEGFKXEQ-UHFFFAOYSA-N 0 3 386.499 0.253 20 30 GCEDHN CO[C@H]1C[C@@H](CN(C)C(=O)NCC2CCN(S(C)(=O)=O)CC2)N(C)C1 ZINC000329078068 530605484 /nfs/dbraw/zinc/60/54/84/530605484.db2.gz CTQCQXRXZJHDAL-GJZGRUSLSA-N 0 3 376.523 0.223 20 30 GCEDHN CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000520253978 530607284 /nfs/dbraw/zinc/60/72/84/530607284.db2.gz GRLWHSFMEOOJLP-CQSZACIVSA-N 0 3 392.547 0.098 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)CCSC1 ZINC000329229834 530608704 /nfs/dbraw/zinc/60/87/04/530608704.db2.gz JOWWMJCDWINRTE-HIFRSBDPSA-N 0 3 378.564 0.694 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CCSC1 ZINC000330088830 530626107 /nfs/dbraw/zinc/62/61/07/530626107.db2.gz VDAIJFLGYZXSMI-ZFWWWQNUSA-N 0 3 378.564 0.741 20 30 GCEDHN CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)Nc1ccnc(N(C)C)c1 ZINC000348335371 530626315 /nfs/dbraw/zinc/62/63/15/530626315.db2.gz BGIHKBUAUISEIB-UHFFFAOYSA-N 0 3 388.515 0.564 20 30 GCEDHN CC#CCN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc[nH+]c(N(C)C)c1 ZINC000348335371 530626317 /nfs/dbraw/zinc/62/63/17/530626317.db2.gz BGIHKBUAUISEIB-UHFFFAOYSA-N 0 3 388.515 0.564 20 30 GCEDHN C[C@@H]1C[C@@H](N(C)C(=O)NCCS(=O)(=O)N2CCSCC2)CCN1C ZINC000329803302 530621248 /nfs/dbraw/zinc/62/12/48/530621248.db2.gz LDYKPUWFWOUDCF-KGLIPLIRSA-N 0 3 378.564 0.694 20 30 GCEDHN C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000349518181 530669845 /nfs/dbraw/zinc/66/98/45/530669845.db2.gz GPFSOHLKXKMADZ-LSDHHAIUSA-N 0 3 392.547 0.050 20 30 GCEDHN CN(CCC#N)C[C@@H](O)CNCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000563952971 530687236 /nfs/dbraw/zinc/68/72/36/530687236.db2.gz BYCQZKYWNKIDFT-ZDUSSCGKSA-N 0 3 392.884 0.553 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000349623858 530723522 /nfs/dbraw/zinc/72/35/22/530723522.db2.gz TXKSAFMEFFATRJ-ZNMIVQPWSA-N 0 3 392.547 0.096 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CCN(C)C1 ZINC000582557298 530845557 /nfs/dbraw/zinc/84/55/57/530845557.db2.gz WMJHORYLGPGAQO-QWHCGFSZSA-N 0 3 386.499 0.107 20 30 GCEDHN N#Cc1ccc(CS(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000595111819 530893626 /nfs/dbraw/zinc/89/36/26/530893626.db2.gz QCFITTGZIFNONI-CQSZACIVSA-N 0 3 376.404 0.814 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000427942933 530896825 /nfs/dbraw/zinc/89/68/25/530896825.db2.gz AJFBITSVBKUBDD-ZDUSSCGKSA-N 0 3 380.367 0.812 20 30 GCEDHN CN1CC[C@@](O)(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000556066172 530930154 /nfs/dbraw/zinc/93/01/54/530930154.db2.gz YOMAVOUOIOIHSO-OAHLLOKOSA-N 0 3 381.230 0.442 20 30 GCEDHN N#Cc1ncn(CCNCCS(=O)(=O)c2cccc(Br)c2)n1 ZINC000575797875 530925890 /nfs/dbraw/zinc/92/58/90/530925890.db2.gz NQNWDJRIXIFWOG-UHFFFAOYSA-N 0 3 384.259 0.976 20 30 GCEDHN CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H]2CCN(C)C2)cc1 ZINC000571701333 530980162 /nfs/dbraw/zinc/98/01/62/530980162.db2.gz KFDDFGDMQNLNRE-CYBMUJFWSA-N 0 3 386.499 0.061 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](N(C)C)[C@@H](SC)C2)c1 ZINC000270449556 531005361 /nfs/dbraw/zinc/00/53/61/531005361.db2.gz JAPUNCYCOWQAFJ-CVEARBPZSA-N 0 3 381.523 0.716 20 30 GCEDHN [NH2+]=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000262687355 638569417 /nfs/dbraw/zinc/56/94/17/638569417.db2.gz YVUCKLQIFBHLKD-UHFFFAOYSA-N 0 3 381.285 0.919 20 30 GCEDHN C#CCN(C)CCCNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1 ZINC000818593041 641915689 /nfs/dbraw/zinc/91/56/89/641915689.db2.gz IZAOFBCIFFEOMM-UHFFFAOYSA-N 0 3 388.287 0.781 20 30 GCEDHN C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000418940132 1192697889 /nfs/dbraw/zinc/69/78/89/1192697889.db2.gz SQQALNANZHKOAJ-KRWDZBQOSA-N 0 3 398.467 0.782 20 30 GCEDHN N#Cc1ccccc1OC1CCC(NC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000419036577 1192735790 /nfs/dbraw/zinc/73/57/90/1192735790.db2.gz QKZMKFVLMCZCMC-OFLPRAFFSA-N 0 3 386.452 0.469 20 30 GCEDHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C[C@@H]21 ZINC000410595837 1192738270 /nfs/dbraw/zinc/73/82/70/1192738270.db2.gz YPVLLJJCFRILMB-QRVBRYPASA-N 0 3 381.480 0.385 20 30 GCEDHN C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000274535067 1184089853 /nfs/dbraw/zinc/08/98/53/1184089853.db2.gz QHCGTZLCUISBAY-HNNXBMFYSA-N 0 3 390.459 0.918 20 30 GCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000274617047 1184121349 /nfs/dbraw/zinc/12/13/49/1184121349.db2.gz VSNPBLKLSYGDHJ-QGZVFWFLSA-N 0 3 385.516 0.811 20 30 GCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)N2CCCC2)[C@@H](O)C1 ZINC000969509057 1184333044 /nfs/dbraw/zinc/33/30/44/1184333044.db2.gz UGZGCNUTNLDZGG-MHORFTMASA-N 0 3 393.528 0.920 20 30 GCEDHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000430270056 1184425741 /nfs/dbraw/zinc/42/57/41/1184425741.db2.gz QTERQWAPHGIWHQ-KXBFYZLASA-N 0 3 389.525 0.915 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000246904479 1184518017 /nfs/dbraw/zinc/51/80/17/1184518017.db2.gz MLTUXWNQAQJHMV-OALUTQOASA-N 0 3 381.480 0.902 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275531297 1184699257 /nfs/dbraw/zinc/69/92/57/1184699257.db2.gz YFWNPVJLBGNMAY-UHFFFAOYSA-N 0 3 394.435 0.581 20 30 GCEDHN C#CC1(F)CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000891168188 1185003086 /nfs/dbraw/zinc/00/30/86/1185003086.db2.gz WILDLGPSNOCJOZ-UHFFFAOYSA-N 0 3 386.427 0.506 20 30 GCEDHN C=CCc1cc(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(OC)c1OC ZINC000580785808 1185357506 /nfs/dbraw/zinc/35/75/06/1185357506.db2.gz PBCRCWVHSYCICI-CVEARBPZSA-N 0 3 388.468 0.886 20 30 GCEDHN CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](N)CCCC#N)c2)CC1 ZINC000581312742 1185585135 /nfs/dbraw/zinc/58/51/35/1185585135.db2.gz CQACVWNFEPCGFJ-INIZCTEOSA-N 0 3 379.486 0.582 20 30 GCEDHN NC(=NOCC(=O)NCC(F)(F)F)c1ccccc1CN1CCC(O)CC1 ZINC000104054363 1186341422 /nfs/dbraw/zinc/34/14/22/1186341422.db2.gz XABIPDVVBLNLFW-UHFFFAOYSA-N 0 3 388.390 0.959 20 30 GCEDHN CN(CCC#N)C[C@@H](O)CNCc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000582780728 1186668184 /nfs/dbraw/zinc/66/81/84/1186668184.db2.gz DJIYKPSJJQYDEP-IBGZPJMESA-N 0 3 394.541 0.908 20 30 GCEDHN C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000728531101 1186720197 /nfs/dbraw/zinc/72/01/97/1186720197.db2.gz BRRGUXABXSABQD-LJQANCHMSA-N 0 3 383.496 0.187 20 30 GCEDHN C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000728531100 1186720423 /nfs/dbraw/zinc/72/04/23/1186720423.db2.gz BRRGUXABXSABQD-IBGZPJMESA-N 0 3 383.496 0.187 20 30 GCEDHN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000248006839 1186780350 /nfs/dbraw/zinc/78/03/50/1186780350.db2.gz KXOITWNBAXIDPF-VNHYZAJKSA-N 0 3 376.482 0.966 20 30 GCEDHN C[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)CN1CCN(C)CC1 ZINC000329813426 1187064771 /nfs/dbraw/zinc/06/47/71/1187064771.db2.gz SUFNGHLQKNNPKO-IAGOWNOFSA-N 0 3 381.521 0.107 20 30 GCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000658678164 1187409380 /nfs/dbraw/zinc/40/93/80/1187409380.db2.gz VNZBVXPJGMHDIF-IAGOWNOFSA-N 0 3 376.501 0.566 20 30 GCEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000540968439 1187840316 /nfs/dbraw/zinc/84/03/16/1187840316.db2.gz RMPWSYAIMFCUCK-KBPBESRZSA-N 0 3 376.482 0.992 20 30 GCEDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892649813 1187878024 /nfs/dbraw/zinc/87/80/24/1187878024.db2.gz MWNRVYFBRJNJHL-QGZVFWFLSA-N 0 3 392.500 0.976 20 30 GCEDHN CN(C)C1(CNC(=O)C(=O)NC2CCN(CC#N)CC2)Cc2ccccc2C1 ZINC000588126188 1187923028 /nfs/dbraw/zinc/92/30/28/1187923028.db2.gz DAFBFTKVACKLJV-UHFFFAOYSA-N 0 3 383.496 0.306 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000377474694 1188032236 /nfs/dbraw/zinc/03/22/36/1188032236.db2.gz JCLKDKRQXSVTSG-JKSUJKDBSA-N 0 3 377.466 0.191 20 30 GCEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377604411 1188086758 /nfs/dbraw/zinc/08/67/58/1188086758.db2.gz RNHXBYWZLKPSSD-MAUKXSAKSA-N 0 3 387.459 0.732 20 30 GCEDHN N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc1 ZINC000728714954 1188145199 /nfs/dbraw/zinc/14/51/99/1188145199.db2.gz FANGAZWQZGACPQ-UHFFFAOYSA-N 0 3 385.472 0.315 20 30 GCEDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000481170524 1189571343 /nfs/dbraw/zinc/57/13/43/1189571343.db2.gz WKOYKSZENPGHBF-IRXDYDNUSA-N 0 3 398.511 0.838 20 30 GCEDHN N#CCc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000601336903 1189610001 /nfs/dbraw/zinc/61/00/01/1189610001.db2.gz PVPKJGULTYMDOX-UHFFFAOYSA-N 0 3 376.482 0.681 20 30 GCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364069625 1189640239 /nfs/dbraw/zinc/64/02/39/1189640239.db2.gz YJWFETYTPNFCSL-CVEARBPZSA-N 0 3 379.482 0.744 20 30 GCEDHN C=CCCCNCc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105289774 1189768246 /nfs/dbraw/zinc/76/82/46/1189768246.db2.gz IXHJKJJPBVMXMG-JCGIZDLHSA-N 0 3 375.473 0.769 20 30 GCEDHN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)C1=O ZINC000661008546 1189980143 /nfs/dbraw/zinc/98/01/43/1189980143.db2.gz ZKBLUJNZRZKUNL-RTBURBONSA-N 0 3 398.507 0.965 20 30 GCEDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433496311 1193883154 /nfs/dbraw/zinc/88/31/54/1193883154.db2.gz KGPNBZKGOBZWTI-INIZCTEOSA-N 0 3 389.431 0.695 20 30 GCEDHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000280708884 1194015401 /nfs/dbraw/zinc/01/54/01/1194015401.db2.gz JBFJKOGCWJVTRP-YLJYHZDGSA-N 0 3 387.459 0.732 20 30 GCEDHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000504061503 1194750371 /nfs/dbraw/zinc/75/03/71/1194750371.db2.gz VORYYDGMGGJXQU-GOSISDBHSA-N 0 3 385.468 0.906 20 30 GCEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000424058722 1194801045 /nfs/dbraw/zinc/80/10/45/1194801045.db2.gz ADVGSRZUIKKKAE-AWEZNQCLSA-N 0 3 386.424 0.819 20 30 GCEDHN N#CCCC[C@@H](N)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000424081513 1194801143 /nfs/dbraw/zinc/80/11/43/1194801143.db2.gz VHUZFRKCNOKSJQ-CQSZACIVSA-N 0 3 384.433 0.806 20 30 GCEDHN COc1ccc(NC(=O)[C@@H](N)CCCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000424079960 1194801236 /nfs/dbraw/zinc/80/12/36/1194801236.db2.gz RVGOQDVYNFLUAZ-AWEZNQCLSA-N 0 3 396.469 0.676 20 30 GCEDHN N#CCCC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000424083909 1194801892 /nfs/dbraw/zinc/80/18/92/1194801892.db2.gz XTCSQPIJJDWTJI-CYBMUJFWSA-N 0 3 395.441 0.449 20 30 GCEDHN CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@@H](N)CCCC#N)c2)n1 ZINC000424127542 1194803534 /nfs/dbraw/zinc/80/35/34/1194803534.db2.gz AZYSPDZGJXUAQS-AWEZNQCLSA-N 0 3 384.444 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ZINC000121920698 1195464827 /nfs/dbraw/zinc/46/48/27/1195464827.db2.gz ADFBMNLNXLQPPE-INIZCTEOSA-N 0 3 392.525 0.211 20 30 GCEDHN N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCCNCC3)CC2)c(Cl)c1 ZINC000520216943 1195607528 /nfs/dbraw/zinc/60/75/28/1195607528.db2.gz XFDHKGNPYBQGLZ-UHFFFAOYSA-N 0 3 375.860 0.682 20 30 GCEDHN CS[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H]1N(C)C ZINC000330660646 1195699191 /nfs/dbraw/zinc/69/91/91/1195699191.db2.gz QVGMGSMNCHANMP-CABCVRRESA-N 0 3 396.538 0.915 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NC(C)C)CC1 ZINC000330997217 1195717065 /nfs/dbraw/zinc/71/70/65/1195717065.db2.gz VDQQLIJGHMFCES-INIZCTEOSA-N 0 3 381.521 0.786 20 30 GCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CC3CCOCC3)CC2)CC1 ZINC000180662296 1195769328 /nfs/dbraw/zinc/76/93/28/1195769328.db2.gz XHZYVGODACFVIX-HXUWFJFHSA-N 0 3 391.560 0.723 20 30 GCEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000180648360 1195769535 /nfs/dbraw/zinc/76/95/35/1195769535.db2.gz AZYDEESQJGEKJY-UXHICEINSA-N 0 3 391.560 0.723 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000442303430 1195974986 /nfs/dbraw/zinc/97/49/86/1195974986.db2.gz XCMKDRRKPLNBMG-UHFFFAOYSA-N 0 3 383.445 0.934 20 30 GCEDHN CN(C)CCN1C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1=O ZINC000114179068 1196095949 /nfs/dbraw/zinc/09/59/49/1196095949.db2.gz YXTJSAZJVQVAIF-MRXNPFEDSA-N 0 3 387.459 0.756 20 30 GCEDHN N#Cc1cccc(-n2ccc(C(=O)NCCCCN3CCN(CCO)CC3)n2)c1 ZINC000467459878 1196103816 /nfs/dbraw/zinc/10/38/16/1196103816.db2.gz VATZFVQNFYNDDO-UHFFFAOYSA-N 0 3 396.495 0.864 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H]2CCN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001087970448 1196143272 /nfs/dbraw/zinc/14/32/72/1196143272.db2.gz XVHJEOYUOOHNST-TWMKSMIVSA-N 0 3 390.484 0.300 20 30 GCEDHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329795783 1196231805 /nfs/dbraw/zinc/23/18/05/1196231805.db2.gz DFEAVBURHOLCOH-MSOLQXFVSA-N 0 3 395.548 0.497 20 30 GCEDHN CC(C)N1CCO[C@H](CN2CCN(C([O-])=[NH+][C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864040 1196235025 /nfs/dbraw/zinc/23/50/25/1196235025.db2.gz SKAFCXYISWCLKQ-QZTJIDSGSA-N 0 3 390.532 0.908 20 30 GCEDHN CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864040 1196235028 /nfs/dbraw/zinc/23/50/28/1196235028.db2.gz SKAFCXYISWCLKQ-QZTJIDSGSA-N 0 3 390.532 0.908 20 30 GCEDHN COCc1noc(CN2CCN(C(=O)NC[C@@H]3CCc4nccn4C3)CC2)n1 ZINC000329902228 1196237528 /nfs/dbraw/zinc/23/75/28/1196237528.db2.gz PFWPZTOOLJZUGI-AWEZNQCLSA-N 0 3 389.460 0.707 20 30 GCEDHN Cc1noc(CN2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2)n1 ZINC000329986502 1196244313 /nfs/dbraw/zinc/24/43/13/1196244313.db2.gz RYEKBNNKFRJPAS-OAHLLOKOSA-N 0 3 379.509 0.436 20 30 GCEDHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)N1CCCC[C@@H]1C ZINC000330131793 1196255075 /nfs/dbraw/zinc/25/50/75/1196255075.db2.gz LEBSTBYFTOXHAL-ULQDDVLXSA-N 0 3 393.532 0.928 20 30 GCEDHN COCCOc1ncccc1NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000330136550 1196255447 /nfs/dbraw/zinc/25/54/47/1196255447.db2.gz UFNJKHAVEOKYHF-INIZCTEOSA-N 0 3 391.472 0.891 20 30 GCEDHN CNC(=O)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000330164568 1196257039 /nfs/dbraw/zinc/25/70/39/1196257039.db2.gz WCGCQTIYNCHGOD-KRWDZBQOSA-N 0 3 387.484 0.699 20 30 GCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CCN(c2cccnn2)CC1 ZINC000330264541 1196262413 /nfs/dbraw/zinc/26/24/13/1196262413.db2.gz YBMFNPCKYAVKLO-INIZCTEOSA-N 0 3 375.521 0.975 20 30 GCEDHN CC1=C(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)Cn2nnnc2N1C ZINC000280941182 1196267335 /nfs/dbraw/zinc/26/73/35/1196267335.db2.gz LJPGUTHQJYEVCU-UHFFFAOYSA-N 0 3 380.456 0.859 20 30 GCEDHN C=CCN1CC[C@@H](N(C)CCOCCN(C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281321461 1196289321 /nfs/dbraw/zinc/28/93/21/1196289321.db2.gz LEWHEVXQAZTOJB-HDICACEKSA-N 0 3 378.517 0.440 20 30 GCEDHN CN1CCN(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1(C)C ZINC000281915332 1196347174 /nfs/dbraw/zinc/34/71/74/1196347174.db2.gz JJIQPTSJYJHYQG-UHFFFAOYSA-N 0 3 389.504 0.590 20 30 GCEDHN N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000151968242 1196468988 /nfs/dbraw/zinc/46/89/88/1196468988.db2.gz RGCUAICHISSVDD-UHFFFAOYSA-N 0 3 380.445 0.626 20 30 GCEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447906001 1196756190 /nfs/dbraw/zinc/75/61/90/1196756190.db2.gz NSVBTJRGHKWIRF-QRVBRYPASA-N 0 3 390.459 0.664 20 30 GCEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447905999 1196756289 /nfs/dbraw/zinc/75/62/89/1196756289.db2.gz NSVBTJRGHKWIRF-IPMKNSEASA-N 0 3 390.459 0.664 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)CC2)o1 ZINC000451690952 1197010523 /nfs/dbraw/zinc/01/05/23/1197010523.db2.gz ARRFPPYNIKGFRP-IKGGRYGDSA-N 0 3 387.484 0.986 20 30 GCEDHN CCN1CCN(CC(C)(C)NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000451987390 1197029326 /nfs/dbraw/zinc/02/93/26/1197029326.db2.gz OKMFSLLNFHRNSM-UHFFFAOYSA-N 0 3 379.530 0.733 20 30 GCEDHN CN(CC(=O)NC[C@H]1CCCCN1CCO)S(=O)(=O)c1ccc(C#N)cc1 ZINC000452383548 1197055747 /nfs/dbraw/zinc/05/57/47/1197055747.db2.gz AUSHHRVHOQMXCX-MRXNPFEDSA-N 0 3 394.497 0.142 20 30 GCEDHN Cc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1S(=O)(=O)NCC#N ZINC000452773118 1197080687 /nfs/dbraw/zinc/08/06/87/1197080687.db2.gz BAIBUTHKKULZIR-INIZCTEOSA-N 0 3 394.497 0.374 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CC#N)c2)CC1 ZINC000453680945 1197122437 /nfs/dbraw/zinc/12/24/37/1197122437.db2.gz VZCDQIHWMVJAPT-KRWDZBQOSA-N 0 3 383.452 0.456 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)CC1 ZINC000173273877 1197176172 /nfs/dbraw/zinc/17/61/72/1197176172.db2.gz HDSKXCNFNIOKFR-UHFFFAOYSA-N 0 3 387.419 0.815 20 30 GCEDHN CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1=O ZINC000245468289 1197404629 /nfs/dbraw/zinc/40/46/29/1197404629.db2.gz SYZDJRXEHWQIHS-MOPGFXCFSA-N 0 3 383.496 0.633 20 30 GCEDHN C=CCOc1ccc(-c2noc([C@H](CC(N)=O)NC(=O)[C@H](C)N)n2)c(F)c1 ZINC001212022705 1197475141 /nfs/dbraw/zinc/47/51/41/1197475141.db2.gz BVUDYZDAUDKHDO-ZANVPECISA-N 0 3 377.376 0.820 20 30 GCEDHN C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1)C1=CCN(C)CC1 ZINC000542826536 1199067376 /nfs/dbraw/zinc/06/73/76/1199067376.db2.gz KNWLEJIQLJGXKX-CQSZACIVSA-N 0 3 376.482 0.945 20 30 GCEDHN C=C(C)CN1CCC(NC(=O)N2CCN(CC(=O)NCCOC)CC2)CC1 ZINC000465859856 1199138622 /nfs/dbraw/zinc/13/86/22/1199138622.db2.gz MNVFDAYSJWKGNR-UHFFFAOYSA-N 0 3 381.521 0.117 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(C)nn2)CC1 ZINC001003365654 1199514108 /nfs/dbraw/zinc/51/41/08/1199514108.db2.gz OQFKAYVQSDTHLE-QRQLOZEOSA-N 0 3 381.480 0.992 20 30 GCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000673513765 1199728355 /nfs/dbraw/zinc/72/83/55/1199728355.db2.gz FOOPMKQLJNIPNI-HZPDHXFCSA-N 0 3 379.482 0.432 20 30 GCEDHN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000624992314 1199881500 /nfs/dbraw/zinc/88/15/00/1199881500.db2.gz RTJNZWCKSMYUMA-UHFFFAOYSA-N 0 3 384.488 0.989 20 30 GCEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000126440705 1199912147 /nfs/dbraw/zinc/91/21/47/1199912147.db2.gz CHYKFHZXUHUDDQ-UHFFFAOYSA-N 0 3 381.436 0.786 20 30 GCEDHN CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NC[C@@H]2NCCc3ccccc32)n1 ZINC000415710959 1200677051 /nfs/dbraw/zinc/67/70/51/1200677051.db2.gz ORIAWGCVTSMCQA-INIZCTEOSA-N 0 3 380.452 1.451 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1 ZINC000546600396 1200969371 /nfs/dbraw/zinc/96/93/71/1200969371.db2.gz KCRHEJHCSOQWDV-CQSZACIVSA-N 0 3 381.440 0.986 20 30 GCEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000573943768 1201087740 /nfs/dbraw/zinc/08/77/40/1201087740.db2.gz NPVFBIMXIYHNQL-CYBMUJFWSA-N 0 3 375.477 0.245 20 30 GCEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000573943771 1201087787 /nfs/dbraw/zinc/08/77/87/1201087787.db2.gz NPVFBIMXIYHNQL-ZDUSSCGKSA-N 0 3 375.477 0.245 20 30 GCEDHN CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@H](N)CCCC#N)c2)n1 ZINC000424127546 1201091919 /nfs/dbraw/zinc/09/19/19/1201091919.db2.gz AZYSPDZGJXUAQS-CQSZACIVSA-N 0 3 384.444 1.058 20 30 GCEDHN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000562905560 1201098428 /nfs/dbraw/zinc/09/84/28/1201098428.db2.gz RQMCEXRAEWQKMR-OAHLLOKOSA-N 0 3 389.504 0.491 20 30 GCEDHN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594627625 1201099921 /nfs/dbraw/zinc/09/99/21/1201099921.db2.gz ZVOJOMIQHVZILN-JKSUJKDBSA-N 0 3 387.488 0.388 20 30 GCEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(O)(CN3CCOCC3)CC2)cc1 ZINC000611530859 1201244398 /nfs/dbraw/zinc/24/43/98/1201244398.db2.gz SQEONYNFVMSZQK-IBGZPJMESA-N 0 3 389.496 0.651 20 30 GCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[C@H](C(=O)N3CCCC3)O2)[C@H](OC)C1 ZINC001082131674 1201315853 /nfs/dbraw/zinc/31/58/53/1201315853.db2.gz SGAUPYYOXGDJCR-XMTFNYHQSA-N 0 3 379.501 0.938 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001082519407 1201336110 /nfs/dbraw/zinc/33/61/10/1201336110.db2.gz JYNORPHMGGWPFQ-DZUCGIPZSA-N 0 3 390.484 0.002 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CCN(CCN3C(=O)CCC3=O)[C@H]2C1 ZINC001085037831 1201556600 /nfs/dbraw/zinc/55/66/00/1201556600.db2.gz FYOIYTBTILWWBT-NCOADZHNSA-N 0 3 375.469 0.649 20 30 GCEDHN N#CC(C(=O)CCCOc1ccccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910108 1201569031 /nfs/dbraw/zinc/56/90/31/1201569031.db2.gz MGUPUGWJGJAIGK-CYBMUJFWSA-N 0 3 382.413 0.951 20 30 GCEDHN N#CC(C(=O)CCCOCc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909969 1201569128 /nfs/dbraw/zinc/56/91/28/1201569128.db2.gz KDWFANMEDRWVEB-MRXNPFEDSA-N 0 3 378.450 0.949 20 30 GCEDHN COc1cccc(COCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732910418 1201569412 /nfs/dbraw/zinc/56/94/12/1201569412.db2.gz POXHGYWZTDAARX-OAHLLOKOSA-N 0 3 380.422 0.178 20 30 GCEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C ZINC000739153511 1201741042 /nfs/dbraw/zinc/74/10/42/1201741042.db2.gz CWLGGDFDBBVXOQ-ZDUSSCGKSA-N 0 3 391.387 0.902 20 30 GCEDHN CC(C)(C)OC(=O)N1CCN(CC(=O)C(C#N)C(=O)NC2CCCC2)C(=O)C1 ZINC000741431664 1201779285 /nfs/dbraw/zinc/77/92/85/1201779285.db2.gz SILXTFCBRSBHSW-AWEZNQCLSA-N 0 3 392.456 0.833 20 30 GCEDHN COCCN(C)CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000742619192 1201803063 /nfs/dbraw/zinc/80/30/63/1201803063.db2.gz PTMIMXKZODURJH-ZDUSSCGKSA-N 0 3 382.486 0.198 20 30 GCEDHN C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000745863210 1201891940 /nfs/dbraw/zinc/89/19/40/1201891940.db2.gz SRHPHIQQAOQFIY-QGZVFWFLSA-N 0 3 377.533 0.431 20 30 GCEDHN C#CCNC(=O)CN1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000746214908 1201903830 /nfs/dbraw/zinc/90/38/30/1201903830.db2.gz GHZVJZKRNRWPJZ-UHFFFAOYSA-N 0 3 397.523 0.092 20 30 GCEDHN C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000766599295 1201932270 /nfs/dbraw/zinc/93/22/70/1201932270.db2.gz BMLTZIZKHZKXIS-GOSISDBHSA-N 0 3 398.463 0.402 20 30 GCEDHN C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COCc1ccco1 ZINC001109272616 1202010953 /nfs/dbraw/zinc/01/09/53/1202010953.db2.gz MXJWUJWCWNKJPF-NEPXVJNWSA-N 0 3 376.453 0.919 20 30 GCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(=O)n(CCOC)n1)C2 ZINC001109500083 1202066934 /nfs/dbraw/zinc/06/69/34/1202066934.db2.gz FWGNGTNYNLJONT-PVAVHDDUSA-N 0 3 376.457 0.427 20 30 GCEDHN C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCO[C@H]2CCOC2)nn1 ZINC001109814053 1202129107 /nfs/dbraw/zinc/12/91/07/1202129107.db2.gz JMUSELLFEDDOPJ-CVYDXHPNSA-N 0 3 375.473 0.995 20 30 GCEDHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCNc1ncccc1C#N ZINC000787787347 1205402947 /nfs/dbraw/zinc/40/29/47/1205402947.db2.gz IYQMMYOIQLLLSF-UHFFFAOYSA-N 0 3 384.440 0.665 20 30 GCEDHN Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)c1C#N ZINC000788103097 1205413024 /nfs/dbraw/zinc/41/30/24/1205413024.db2.gz OLWPKSLEQGNPLT-HZPDHXFCSA-N 0 3 387.488 0.295 20 30 GCEDHN COCCCNC(=O)C(C#N)C(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC000796740013 1205489768 /nfs/dbraw/zinc/48/97/68/1205489768.db2.gz IVDBZPMEAXIPPR-NSHDSACASA-N 0 3 381.335 0.866 20 30 GCEDHN N#CC(C(=O)C1CC(OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000747118240 1205498784 /nfs/dbraw/zinc/49/87/84/1205498784.db2.gz KGGSZEGGZBGHQE-JCYILVPMSA-N 0 3 390.461 0.948 20 30 GCEDHN C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCCC1 ZINC000793707981 1205504538 /nfs/dbraw/zinc/50/45/38/1205504538.db2.gz HFAIRFZIJGONHA-INIZCTEOSA-N 0 3 384.484 0.592 20 30 GCEDHN C[C@H](CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)N1CCCCC1 ZINC000793707982 1205504644 /nfs/dbraw/zinc/50/46/44/1205504644.db2.gz HFAIRFZIJGONHA-MRXNPFEDSA-N 0 3 384.484 0.592 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804755776 1205525382 /nfs/dbraw/zinc/52/53/82/1205525382.db2.gz DJEPNOZOLCLCIA-UHFFFAOYSA-N 0 3 380.489 0.736 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000804889878 1205527620 /nfs/dbraw/zinc/52/76/20/1205527620.db2.gz JCMJHGOYUBPDFA-ROUUACIJSA-N 0 3 389.500 0.601 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)CC1 ZINC000804889876 1205527651 /nfs/dbraw/zinc/52/76/51/1205527651.db2.gz JCMJHGOYUBPDFA-MSOLQXFVSA-N 0 3 389.500 0.601 20 30 GCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3C[C@H]3C3CC3)n[n-]2)O1 ZINC001130811670 1205573159 /nfs/dbraw/zinc/57/31/59/1205573159.db2.gz DEQOXKHZOHWYKW-MWDXBVQZSA-N 0 3 387.484 0.927 20 30 GCEDHN COCCN(C)CCN1C[C@H](NC(=O)C#Cc2ccc3c(c2)OCO3)CC1=O ZINC000808269360 1205604909 /nfs/dbraw/zinc/60/49/09/1205604909.db2.gz IUCXHUDQYFHNAO-MRXNPFEDSA-N 0 3 387.436 0.062 20 30 GCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C)O2)CC1 ZINC001131567424 1205618534 /nfs/dbraw/zinc/61/85/34/1205618534.db2.gz KZSQLBSVIZAQCH-MYZZLAAOSA-N 0 3 379.501 0.842 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NCC(=O)NCC)CC1 ZINC001131567348 1205618583 /nfs/dbraw/zinc/61/85/83/1205618583.db2.gz GSIBUBGLSPHXRE-VXNCWWDNSA-N 0 3 379.501 0.699 20 30 GCEDHN C#C[C@@H](NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@H]1CCCO1 ZINC000809306613 1205621444 /nfs/dbraw/zinc/62/14/44/1205621444.db2.gz SPESMQMIPUMMOG-WOJBJXKFSA-N 0 3 398.507 0.844 20 30 GCEDHN NS(=O)(=O)c1ccc2c(c1)[C@@H](NCCNC(=O)C1N=CC=CC1=O)CCC2 ZINC000810225565 1205635123 /nfs/dbraw/zinc/63/51/23/1205635123.db2.gz HLIOWMAGDWHWEH-HEWTWTGNSA-N 0 3 390.465 0.827 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 ZINC000815082719 1205697895 /nfs/dbraw/zinc/69/78/95/1205697895.db2.gz FCWKTPPQBRRHHA-UHFFFAOYSA-N 0 3 394.419 0.551 20 30 GCEDHN Cn1cc(C(=O)NC[C@@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)cn1 ZINC001175202157 1205735669 /nfs/dbraw/zinc/73/56/69/1205735669.db2.gz CPSLHCFUFQEUBU-DLBZAZTESA-N 0 3 375.473 0.686 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)CC1 ZINC001177565021 1205771733 /nfs/dbraw/zinc/77/17/33/1205771733.db2.gz BWNMWTRIDLIPIL-NRFANRHFSA-N 0 3 396.535 0.833 20 30 GCEDHN CN1CC[C@H](C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O ZINC000773982355 1205857750 /nfs/dbraw/zinc/85/77/50/1205857750.db2.gz GWSNXIXCLVKTJD-ZJUUUORDSA-N 0 3 388.336 0.492 20 30 GCEDHN Cn1nccc1CC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000774055519 1205860843 /nfs/dbraw/zinc/86/08/43/1205860843.db2.gz PPKZWSQTBWFJNK-LLVKDONJSA-N 0 3 385.336 0.990 20 30 GCEDHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C ZINC001186621444 1205943447 /nfs/dbraw/zinc/94/34/47/1205943447.db2.gz XKDIXMBRLWSBHJ-ULQDDVLXSA-N 0 3 398.573 0.762 20 30 GCEDHN CN(C)CC#CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC001187271695 1205958869 /nfs/dbraw/zinc/95/88/69/1205958869.db2.gz PVGODCRTHWBXSH-UHFFFAOYSA-N 0 3 382.442 0.593 20 30 GCEDHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccc(C#N)cn3)CC2)C1=O ZINC001190589775 1206039519 /nfs/dbraw/zinc/03/95/19/1206039519.db2.gz JGLNBGJUGQRWSZ-UHFFFAOYSA-N 0 3 384.484 0.264 20 30 GCEDHN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCNC(=O)C12CNC2 ZINC001164410509 718879093 /nfs/dbraw/zinc/87/90/93/718879093.db2.gz CIJYFSVJWDDUPX-UHFFFAOYSA-N 0 3 399.785 0.606 20 30 GCEDHN C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001573282720 946698027 /nfs/dbraw/zinc/69/80/27/946698027.db2.gz NIWBSUXXVQKEIU-WMLDXEAASA-N 0 3 395.467 0.771 20 30 GCEDHN C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001573282720 946698029 /nfs/dbraw/zinc/69/80/29/946698029.db2.gz NIWBSUXXVQKEIU-WMLDXEAASA-N 0 3 395.467 0.771 20 30 GCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573286694 946818174 /nfs/dbraw/zinc/81/81/74/946818174.db2.gz HRKHVTBUBTTXFF-CXAGYDPISA-N 0 3 386.431 0.982 20 30 GCEDHN C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573286694 946818184 /nfs/dbraw/zinc/81/81/84/946818184.db2.gz HRKHVTBUBTTXFF-CXAGYDPISA-N 0 3 386.431 0.982 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573568081 947065035 /nfs/dbraw/zinc/06/50/35/947065035.db2.gz XGZAVHMSLVUXQT-JSGCOSHPSA-N 0 3 387.419 0.873 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573568080 947066460 /nfs/dbraw/zinc/06/64/60/947066460.db2.gz XGZAVHMSLVUXQT-GXTWGEPZSA-N 0 3 387.419 0.873 20 30 GCEDHN C=CCn1cc(C(=O)NCC[N@@H+](CC)Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001573351315 947613444 /nfs/dbraw/zinc/61/34/44/947613444.db2.gz QIHOIZOLYFDEOO-UHFFFAOYSA-N 0 3 381.444 0.896 20 30 GCEDHN C=CCn1cc(C(=O)NCC[N@H+](CC)Cc2ccccc2-c2nnn[n-]2)nn1 ZINC001573351315 947613451 /nfs/dbraw/zinc/61/34/51/947613451.db2.gz QIHOIZOLYFDEOO-UHFFFAOYSA-N 0 3 381.444 0.896 20 30 GCEDHN C=CCn1cc(C(=O)NCC[N@@H+](CC)Cc2ccccc2-c2nn[n-]n2)nn1 ZINC001573351315 947613454 /nfs/dbraw/zinc/61/34/54/947613454.db2.gz QIHOIZOLYFDEOO-UHFFFAOYSA-N 0 3 381.444 0.896 20 30 GCEDHN C=CCn1cc(C(=O)NCC[N@H+](CC)Cc2ccccc2-c2nn[n-]n2)nn1 ZINC001573351315 947613460 /nfs/dbraw/zinc/61/34/60/947613460.db2.gz QIHOIZOLYFDEOO-UHFFFAOYSA-N 0 3 381.444 0.896 20 30 GCEDHN C=CCn1cc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001573351516 947615060 /nfs/dbraw/zinc/61/50/60/947615060.db2.gz RKYDRDGYWSGOQG-ZDUSSCGKSA-N 0 3 381.444 0.942 20 30 GCEDHN C=CCn1cc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001573351516 947615067 /nfs/dbraw/zinc/61/50/67/947615067.db2.gz RKYDRDGYWSGOQG-ZDUSSCGKSA-N 0 3 381.444 0.942 20 30 GCEDHN CN(CCC#N)C[C@H](O)CNCCNC(=O)c1cccc(Br)c1 ZINC000571396457 530118522 /nfs/dbraw/zinc/11/85/22/530118522.db2.gz DPDOGNDCRZULPU-OAHLLOKOSA-N 0 3 383.290 0.975 20 30 GCEDHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000283655669 530207665 /nfs/dbraw/zinc/20/76/65/530207665.db2.gz YUCIDTOKFOBMOJ-CYBMUJFWSA-N 0 3 376.276 0.912 20 30 GCEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000584183485 530360016 /nfs/dbraw/zinc/36/00/16/530360016.db2.gz JXDIILGVYDTPHV-WCQYABFASA-N 0 3 399.270 0.253 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000588292359 530342236 /nfs/dbraw/zinc/34/22/36/530342236.db2.gz HNSXHSINLNJFGB-GXFFZTMASA-N 0 3 386.455 0.267 20 30 GCEDHN CCS(=O)(=O)N1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000566108038 530370870 /nfs/dbraw/zinc/37/08/70/530370870.db2.gz RGFKCHLXWYFTAZ-UHFFFAOYSA-N 0 3 386.499 0.131 20 30 GCEDHN C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N ZINC000594638800 530433374 /nfs/dbraw/zinc/43/33/74/530433374.db2.gz OTTGZDWQUKJJPN-UONOGXRCSA-N 0 3 392.547 0.096 20 30 GCEDHN COCCN1CCC(NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000330440549 530520643 /nfs/dbraw/zinc/52/06/43/530520643.db2.gz OSLLLDXZGJZOPN-UHFFFAOYSA-N 0 3 376.523 0.367 20 30 GCEDHN COCCN1CC[C@@H](NC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1 ZINC000331310552 530545074 /nfs/dbraw/zinc/54/50/74/530545074.db2.gz YUZMUPBYIDNDJU-OAHLLOKOSA-N 0 3 376.523 0.413 20 30 GCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000293402386 530566775 /nfs/dbraw/zinc/56/67/75/530566775.db2.gz OMCVEEAFKDIJAO-UHFFFAOYSA-N 0 3 385.873 0.753 20 30 GCEDHN C=CCN(CC=C)[C@H](CNC(=O)NCCOCCS(N)(=O)=O)C(C)C ZINC000297029205 530569180 /nfs/dbraw/zinc/56/91/80/530569180.db2.gz ITQSGMLDTWFYQF-OAHLLOKOSA-N 0 3 376.523 0.289 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CCSC1 ZINC000329231061 530608725 /nfs/dbraw/zinc/60/87/25/530608725.db2.gz KJEFVGKBDURSTF-HOCLYGCPSA-N 0 3 392.591 0.941 20 30 GCEDHN C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349444540 530635330 /nfs/dbraw/zinc/63/53/30/530635330.db2.gz AIEQAJNXJKCFCR-CYBMUJFWSA-N 0 3 386.499 0.061 20 30 GCEDHN CN(C)[C@@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCSC1 ZINC000555057318 530904783 /nfs/dbraw/zinc/90/47/83/530904783.db2.gz ZHSLSIRQKXBQBW-MRXNPFEDSA-N 0 3 382.511 0.390 20 30 GCEDHN C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349485557 530878897 /nfs/dbraw/zinc/87/88/97/530878897.db2.gz UTPJSEVPUQCZKU-LSDHHAIUSA-N 0 3 392.547 0.050 20 30 GCEDHN C=CCN(CC=C)[C@H](CNC(=O)CNS(=O)(=O)CCOCC)C(C)C ZINC000268287826 531005008 /nfs/dbraw/zinc/00/50/08/531005008.db2.gz YOJKQLWLISTCQD-MRXNPFEDSA-N 0 3 375.535 0.757 20 30 GCEDHN N#C[C@@H]1CN(S(=O)(=O)NCC2(N3CCSCC3)CCCCC2)CCO1 ZINC000548833073 531123487 /nfs/dbraw/zinc/12/34/87/531123487.db2.gz UPGKWDHPPLLGTF-OAHLLOKOSA-N 0 3 388.559 0.797 20 30 GCEDHN C#CC[NH+]1CCC(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000819701782 606830776 /nfs/dbraw/zinc/83/07/76/606830776.db2.gz MQKZYACQODVADI-CQSZACIVSA-N 0 3 395.471 0.039 20 30 GCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2-c2nnn[n-]2)c1C#N ZINC000826077825 608021620 /nfs/dbraw/zinc/02/16/20/608021620.db2.gz XCKBAMQBBMGSTJ-UHFFFAOYSA-N 0 3 381.400 0.631 20 30 GCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2-c2nn[n-]n2)c1C#N ZINC000826077825 608021621 /nfs/dbraw/zinc/02/16/21/608021621.db2.gz XCKBAMQBBMGSTJ-UHFFFAOYSA-N 0 3 381.400 0.631 20 30 GCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825937687 608035991 /nfs/dbraw/zinc/03/59/91/608035991.db2.gz HVCGIWCUQJKAOQ-UHFFFAOYSA-N 0 3 394.443 0.937 20 30 GCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000825937687 608035992 /nfs/dbraw/zinc/03/59/92/608035992.db2.gz HVCGIWCUQJKAOQ-UHFFFAOYSA-N 0 3 394.443 0.937 20 30 GCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825937687 608035993 /nfs/dbraw/zinc/03/59/93/608035993.db2.gz HVCGIWCUQJKAOQ-UHFFFAOYSA-N 0 3 394.443 0.937 20 30 GCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000825937687 608035994 /nfs/dbraw/zinc/03/59/94/608035994.db2.gz HVCGIWCUQJKAOQ-UHFFFAOYSA-N 0 3 394.443 0.937 20 30 GCEDHN COc1cc(-c2nnn[n-]2)ccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826175654 608036542 /nfs/dbraw/zinc/03/65/42/608036542.db2.gz LZROPSFOQVREGE-UHFFFAOYSA-N 0 3 397.443 0.996 20 30 GCEDHN COc1cc(-c2nnn[n-]2)ccc1OCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826175654 608036543 /nfs/dbraw/zinc/03/65/43/608036543.db2.gz LZROPSFOQVREGE-UHFFFAOYSA-N 0 3 397.443 0.996 20 30 GCEDHN COc1cc(-c2nn[n-]n2)ccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826175654 608036544 /nfs/dbraw/zinc/03/65/44/608036544.db2.gz LZROPSFOQVREGE-UHFFFAOYSA-N 0 3 397.443 0.996 20 30 GCEDHN COc1cc(-c2nn[n-]n2)ccc1OCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826175654 608036545 /nfs/dbraw/zinc/03/65/45/608036545.db2.gz LZROPSFOQVREGE-UHFFFAOYSA-N 0 3 397.443 0.996 20 30 GCEDHN CC(C)(C)c1nc(CC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)cs1 ZINC000732908709 639815054 /nfs/dbraw/zinc/81/50/54/639815054.db2.gz PPWULOFYJMQJQU-LBPRGKRZSA-N 0 3 383.495 0.949 20 30 GCEDHN N#CC(C(=O)COc1ccc(F)c(Cl)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911112 639815115 /nfs/dbraw/zinc/81/51/15/639815115.db2.gz XBLDKKAOKMEMCL-LLVKDONJSA-N 0 3 388.804 0.824 20 30 GCEDHN C=C(Br)CNC(=O)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000790190502 641409478 /nfs/dbraw/zinc/40/94/78/641409478.db2.gz KFXHHAIAYUSNJE-LBPRGKRZSA-N 0 3 375.311 0.401 20 30 GCEDHN C=C(Br)CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000804261663 641632129 /nfs/dbraw/zinc/63/21/29/641632129.db2.gz SMVSILPPLHPECC-GFCCVEGCSA-N 0 3 389.294 0.070 20 30 GCEDHN 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C=CCc1ccc(OC[C@H](O)CNC[C@H]2CS(=O)(=O)CCO2)c(OC)c1 ZINC000583867233 1186955173 /nfs/dbraw/zinc/95/51/73/1186955173.db2.gz WQYSXTJKAGCRRJ-CVEARBPZSA-N 0 3 385.482 0.567 20 30 GCEDHN COCC#CCN[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623541 1187098802 /nfs/dbraw/zinc/09/88/02/1187098802.db2.gz KUXQLBLICAQSMY-GFOJFJKKSA-N 0 3 385.508 0.940 20 30 GCEDHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOC[C@@H]1CCS(=O)(=O)C1 ZINC000278778577 1187122120 /nfs/dbraw/zinc/12/21/20/1187122120.db2.gz YYSZKUURQPSJEU-SFHVURJKSA-N 0 3 394.541 0.918 20 30 GCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001023919621 1187172113 /nfs/dbraw/zinc/17/21/13/1187172113.db2.gz VCGGBDWFZJEABE-HZMVEIRTSA-N 0 3 379.501 0.530 20 30 GCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)C1 ZINC000658535290 1187336925 /nfs/dbraw/zinc/33/69/25/1187336925.db2.gz ICSLUMGNXVGCGQ-QGZVFWFLSA-N 0 3 378.517 0.814 20 30 GCEDHN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1NCCc2ccccc21 ZINC000375990236 1187529742 /nfs/dbraw/zinc/52/97/42/1187529742.db2.gz KMZKOKIGHRCTGO-MRXNPFEDSA-N 0 3 384.461 0.728 20 30 GCEDHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)nn1 ZINC000612828360 1187599190 /nfs/dbraw/zinc/59/91/90/1187599190.db2.gz WKTZCHBBXDDQQV-HZPDHXFCSA-N 0 3 385.424 0.817 20 30 GCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)N2CCCC2)C1 ZINC001025001825 1187744931 /nfs/dbraw/zinc/74/49/31/1187744931.db2.gz UGZGCNUTNLDZGG-MLHJIOFPSA-N 0 3 393.528 0.920 20 30 GCEDHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1 ZINC000376394936 1187812620 /nfs/dbraw/zinc/81/26/20/1187812620.db2.gz ITOVCPBDROXXBS-MRXNPFEDSA-N 0 3 383.456 0.389 20 30 GCEDHN CC(C)N1CCN(C2CCN(C(=O)NCC3(S(C)(=O)=O)CC3)CC2)CC1 ZINC000330005556 1187940468 /nfs/dbraw/zinc/94/04/68/1187940468.db2.gz CACBOMWDDHCQCS-UHFFFAOYSA-N 0 3 386.562 0.968 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000377474692 1188031788 /nfs/dbraw/zinc/03/17/88/1188031788.db2.gz JCLKDKRQXSVTSG-CVEARBPZSA-N 0 3 377.466 0.191 20 30 GCEDHN CCN(C[C@@H](C)C#N)S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000416580710 1189557014 /nfs/dbraw/zinc/55/70/14/1189557014.db2.gz JPMNLXNPPJMLSL-INIZCTEOSA-N 0 3 387.550 0.099 20 30 GCEDHN N#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000728756483 1189558988 /nfs/dbraw/zinc/55/89/88/1189558988.db2.gz HZCGQCCBOMCMEN-UHFFFAOYSA-N 0 3 399.451 0.294 20 30 GCEDHN C=CCn1c(-c2ncccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000417471509 1189670521 /nfs/dbraw/zinc/67/05/21/1189670521.db2.gz VECPWZHMSBLBIH-OAHLLOKOSA-N 0 3 382.472 0.664 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431988225 1189828493 /nfs/dbraw/zinc/82/84/93/1189828493.db2.gz WDZRRJXDHIZJNF-UHFFFAOYSA-N 0 3 385.468 0.818 20 30 GCEDHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000124388714 1189907738 /nfs/dbraw/zinc/90/77/38/1189907738.db2.gz SHKIEGAMGBIALE-UHFFFAOYSA-N 0 3 381.440 0.691 20 30 GCEDHN CCC(=O)N[C@H](C)C(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000729071091 1193904217 /nfs/dbraw/zinc/90/42/17/1193904217.db2.gz WPWVRHYFTSRCSE-NXEZZACHSA-N 0 3 390.352 0.928 20 30 GCEDHN C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N1CCN(c2ncccn2)CC1 ZINC000262803673 1193956275 /nfs/dbraw/zinc/95/62/75/1193956275.db2.gz MZIJUEIXLQIDHP-UHFFFAOYSA-N 0 3 383.456 0.310 20 30 GCEDHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000280708846 1194015330 /nfs/dbraw/zinc/01/53/30/1194015330.db2.gz JBFJKOGCWJVTRP-FXAWDEMLSA-N 0 3 387.459 0.732 20 30 GCEDHN N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](N)c3ccccc3)CC2)nc1 ZINC000419923223 1194139070 /nfs/dbraw/zinc/13/90/70/1194139070.db2.gz GDVTXYBOLXBSLW-QGZVFWFLSA-N 0 3 378.436 0.418 20 30 GCEDHN CCOC(=O)c1c(NC(=O)C(=O)NCC2(N(C)C)CC2)c(C#N)cn1CC ZINC000421232714 1194308345 /nfs/dbraw/zinc/30/83/45/1194308345.db2.gz LCNKIRLCQCRFDK-UHFFFAOYSA-N 0 3 375.429 0.705 20 30 GCEDHN N#CCCC[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 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CN(C)CC#CCNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000894876414 1195556671 /nfs/dbraw/zinc/55/66/71/1195556671.db2.gz RANKLORAWYJUHN-UHFFFAOYSA-N 0 3 395.485 0.508 20 30 GCEDHN CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C1CCN(C)CC1 ZINC000520431220 1195654497 /nfs/dbraw/zinc/65/44/97/1195654497.db2.gz UEBHKULFJXFZBR-UHFFFAOYSA-N 0 3 396.516 0.734 20 30 GCEDHN C[C@@H](CNC(=O)NCC1CCN(S(C)(=O)=O)CC1)CN1CCN(C)CC1 ZINC000328669050 1195659102 /nfs/dbraw/zinc/65/91/02/1195659102.db2.gz FMPXHGPOLSGRQE-HNNXBMFYSA-N 0 3 389.566 0.045 20 30 GCEDHN CC(C)(C)CCN1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330498977 1195692197 /nfs/dbraw/zinc/69/21/97/1195692197.db2.gz FMFSDFFTIHYZDE-CQSZACIVSA-N 0 3 388.534 0.258 20 30 GCEDHN C[C@@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CCN1CC(C)(C)O ZINC000331214002 1195724076 /nfs/dbraw/zinc/72/40/76/1195724076.db2.gz AXWBBPPCCKCMTF-OAHLLOKOSA-N 0 3 383.537 0.230 20 30 GCEDHN C#CCN(C)CCCNC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)NC)c1 ZINC000294066092 1195841163 /nfs/dbraw/zinc/84/11/63/1195841163.db2.gz VKASRHZWHGJVGX-CSKARUKUSA-N 0 3 379.482 0.688 20 30 GCEDHN C=CCN1CCC(NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)CC1 ZINC000442007957 1195941385 /nfs/dbraw/zinc/94/13/85/1195941385.db2.gz DROFOTXVWODPJT-UHFFFAOYSA-N 0 3 395.471 0.631 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000442288453 1195972545 /nfs/dbraw/zinc/97/25/45/1195972545.db2.gz GOLRIECETYOQAP-UHFFFAOYSA-N 0 3 394.497 0.441 20 30 GCEDHN COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCCN([O-])C3=O)CC2)cc1 ZINC000895161841 1195991084 /nfs/dbraw/zinc/99/10/84/1195991084.db2.gz IAOWZXWQPYEQGV-INIZCTEOSA-N 0 3 383.470 0.818 20 30 GCEDHN C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(CCO)CC2)c1 ZINC000443298141 1196037213 /nfs/dbraw/zinc/03/72/13/1196037213.db2.gz TVEDRJQNBSBAAX-UHFFFAOYSA-N 0 3 381.498 0.585 20 30 GCEDHN Cc1noc([C@@H]2CN(C(=O)NCCN3CCN(C)C(C)(C)C3)CCN2C)n1 ZINC000329039423 1196158176 /nfs/dbraw/zinc/15/81/76/1196158176.db2.gz ZUZCPYXCZOFHFS-HNNXBMFYSA-N 0 3 379.509 0.607 20 30 GCEDHN CS[C@H]1CN(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)C[C@@H]1N(C)C ZINC000329151085 1196169563 /nfs/dbraw/zinc/16/95/63/1196169563.db2.gz ZXDRQFJDADESQS-RYUDHWBXSA-N 0 3 380.478 0.849 20 30 GCEDHN CS[C@H]1CN(C(=O)Nc2nnn(Cc3noc(C)n3)c2C)C[C@H]1N(C)C ZINC000329151083 1196169706 /nfs/dbraw/zinc/16/97/06/1196169706.db2.gz ZXDRQFJDADESQS-NEPJUHHUSA-N 0 3 380.478 0.849 20 30 GCEDHN C[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C1=CCN(C)CC1 ZINC000329315244 1196184804 /nfs/dbraw/zinc/18/48/04/1196184804.db2.gz RWRUWOOZEUZVQM-MRXNPFEDSA-N 0 3 379.505 0.027 20 30 GCEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000329357806 1196188292 /nfs/dbraw/zinc/18/82/92/1196188292.db2.gz HISAPGYPOKDOFW-QZTJIDSGSA-N 0 3 375.517 0.623 20 30 GCEDHN CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)N(C)C1 ZINC000329499863 1196201028 /nfs/dbraw/zinc/20/10/28/1196201028.db2.gz VQUHZHARAZKZSP-ILXRZTDVSA-N 0 3 388.534 0.508 20 30 GCEDHN CN1CC[C@@H]2CCN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)[C@H]2C1 ZINC000329516733 1196202420 /nfs/dbraw/zinc/20/24/20/1196202420.db2.gz DNCHJXCWATVJOF-AEFFLSMTSA-N 0 3 377.533 0.871 20 30 GCEDHN CC(C)[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nncn1C ZINC000329524793 1196202761 /nfs/dbraw/zinc/20/27/61/1196202761.db2.gz SHMNPYHJFAOCSM-CABCVRRESA-N 0 3 377.493 0.665 20 30 GCEDHN C[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000329793188 1196231662 /nfs/dbraw/zinc/23/16/62/1196231662.db2.gz AXTNITQRGATRHK-QZTJIDSGSA-N 0 3 395.548 0.355 20 30 GCEDHN O=C(NC[C@@H]1CCCCN1C1CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000329935614 1196240545 /nfs/dbraw/zinc/24/05/45/1196240545.db2.gz CPZONEVVEPYQNI-CWRNSKLLSA-N 0 3 383.514 0.995 20 30 GCEDHN C[C@H](CNC(=O)N1CCN(C)[C@@H](c2nccn2C)C1)CN1CCN(C)CC1 ZINC000329941485 1196240992 /nfs/dbraw/zinc/24/09/92/1196240992.db2.gz CEBVBXKLXUWSTE-IAGOWNOFSA-N 0 3 377.537 0.506 20 30 GCEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1CCN(S(C)(=O)=O)CC1 ZINC000329984179 1196244226 /nfs/dbraw/zinc/24/42/26/1196244226.db2.gz QCWQUYSJXQTKKA-HNNXBMFYSA-N 0 3 389.566 0.188 20 30 GCEDHN CCN1CCCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000330084763 1196251869 /nfs/dbraw/zinc/25/18/69/1196251869.db2.gz RCLTYTBMPRPLCK-UHFFFAOYSA-N 0 3 397.501 0.676 20 30 GCEDHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000330111011 1196253482 /nfs/dbraw/zinc/25/34/82/1196253482.db2.gz ARZLPHYYIJHASU-UHFFFAOYSA-N 0 3 393.532 0.932 20 30 GCEDHN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000330153122 1196256650 /nfs/dbraw/zinc/25/66/50/1196256650.db2.gz MMNCYOOCPACKDK-CVEARBPZSA-N 0 3 379.505 0.538 20 30 GCEDHN CC[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)C(=O)N1CCOCC1 ZINC000330250171 1196261363 /nfs/dbraw/zinc/26/13/63/1196261363.db2.gz GRMSNRBYROPCKP-RDJZCZTQSA-N 0 3 382.505 0.723 20 30 GCEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000330257595 1196262035 /nfs/dbraw/zinc/26/20/35/1196262035.db2.gz LQRGODTVIQUFGO-HUUCEWRRSA-N 0 3 388.534 0.510 20 30 GCEDHN CC(C)N1CCO[C@H](CN2CCN(C([O-])=[NH+][C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000330286369 1196263741 /nfs/dbraw/zinc/26/37/41/1196263741.db2.gz ZUAXUEPMNGXXRP-QZTJIDSGSA-N 0 3 390.532 0.839 20 30 GCEDHN CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@@H]3CCn4ccnc4C3)CC2)C1 ZINC000330286369 1196263742 /nfs/dbraw/zinc/26/37/42/1196263742.db2.gz ZUAXUEPMNGXXRP-QZTJIDSGSA-N 0 3 390.532 0.839 20 30 GCEDHN C=CCN1CC[C@@H](N(C)CC2(CN(C)[C@@H]3CCN(CC=C)C3=O)COC2)C1=O ZINC000281476024 1196299180 /nfs/dbraw/zinc/29/91/80/1196299180.db2.gz WFIJJVKTCBLOSA-QZTJIDSGSA-N 0 3 390.528 0.440 20 30 GCEDHN COCCN(CCC#N)S(=O)(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000281837171 1196340905 /nfs/dbraw/zinc/34/09/05/1196340905.db2.gz AHQXLNFEKQDFAE-GOSISDBHSA-N 0 3 396.513 0.450 20 30 GCEDHN N#Cc1cccc(CN2CC[C@@H]3CN(C(=O)[C@H]4CC[C@@H](C(N)=O)O4)C[C@@H]3C2)c1 ZINC001088104233 1196359319 /nfs/dbraw/zinc/35/93/19/1196359319.db2.gz ABNFNNLUIJZUKI-YDZRNGNQSA-N 0 3 382.464 0.871 20 30 GCEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](CO)[C@H]2CCCO2)CC1 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C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001003362599 1199511041 /nfs/dbraw/zinc/51/10/41/1199511041.db2.gz BSPJIGVMKFIREK-DZRGKWQISA-N 0 3 389.496 0.384 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cncnc2C)CC1 ZINC001003362837 1199511199 /nfs/dbraw/zinc/51/11/99/1199511199.db2.gz GJJCMEWFINZZHC-QRQLOZEOSA-N 0 3 381.480 0.992 20 30 GCEDHN C=CCNC(=O)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466499486 1199753601 /nfs/dbraw/zinc/75/36/01/1199753601.db2.gz NDUAPYVILBJSPO-IBGZPJMESA-N 0 3 385.424 0.195 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN(CCO)[C@H]3CC[C@H](C)C3)CC2)o1 ZINC000329808624 1199849219 /nfs/dbraw/zinc/84/92/19/1199849219.db2.gz BVOKSNNMVMPBNB-HOCLYGCPSA-N 0 3 375.473 0.986 20 30 GCEDHN C=C(C)Cn1c(-c2cn[nH]c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000624991764 1199880985 /nfs/dbraw/zinc/88/09/85/1199880985.db2.gz RSJFGFUNRSTRGP-INIZCTEOSA-N 0 3 384.488 0.987 20 30 GCEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000367831182 1200899175 /nfs/dbraw/zinc/89/91/75/1200899175.db2.gz JTBNNFLSVKJTDI-CQSZACIVSA-N 0 3 384.415 1.422 20 30 GCEDHN N#Cc1ccccc1OC[C@@H](O)CN1CCC(c2nnc3n2CCNC3)CC1 ZINC000923365215 1200965740 /nfs/dbraw/zinc/96/57/40/1200965740.db2.gz CVXHWALRGSTRDE-KRWDZBQOSA-N 0 3 382.468 0.872 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000546612901 1200971601 /nfs/dbraw/zinc/97/16/01/1200971601.db2.gz DHANKSQFICHMDY-OAHLLOKOSA-N 0 3 396.499 1.452 20 30 GCEDHN COc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)nn1 ZINC000560184355 1200978647 /nfs/dbraw/zinc/97/86/47/1200978647.db2.gz QLFOGMABGAYBQO-UHFFFAOYSA-N 0 3 382.424 0.886 20 30 GCEDHN C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)CN1CCN(C)CC1 ZINC000542829898 1201114362 /nfs/dbraw/zinc/11/43/62/1201114362.db2.gz FOFJUSPMVPHVST-AWEZNQCLSA-N 0 3 376.509 0.321 20 30 GCEDHN C#CCN1CCC[C@@H](NC(=O)C[C@H](C)CC(=O)N[C@H]2CCCN(CC#C)C2)C1 ZINC000923560780 1201122320 /nfs/dbraw/zinc/12/23/20/1201122320.db2.gz 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CCN1CCN(c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)CC1 ZINC000730684912 1201462480 /nfs/dbraw/zinc/46/24/80/1201462480.db2.gz YZYHXITXTSPQGJ-UHFFFAOYSA-N 0 3 398.511 0.871 20 30 GCEDHN COC(=O)NCCC(=O)C(C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000730921107 1201467707 /nfs/dbraw/zinc/46/77/07/1201467707.db2.gz VLZKOPXCOVQOID-VIFPVBQESA-N 0 3 392.324 0.759 20 30 GCEDHN C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000731130687 1201474046 /nfs/dbraw/zinc/47/40/46/1201474046.db2.gz URVXCNBPNBWQIU-UHFFFAOYSA-N 0 3 398.463 0.404 20 30 GCEDHN C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CCN(CCN3CCNC3=O)[C@H]2C1 ZINC001084943258 1201503176 /nfs/dbraw/zinc/50/31/76/1201503176.db2.gz QJTKUPBTTAVJIB-BDXSIMOUSA-N 0 3 376.501 0.916 20 30 GCEDHN CC(=O)c1cccc(O[C@H](C)C(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732909590 1201567738 /nfs/dbraw/zinc/56/77/38/1201567738.db2.gz DEYDZKYMYFTISA-CZUORRHYSA-N 0 3 392.433 0.622 20 30 GCEDHN N#CC(C(=O)CCCNC(=O)c1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909065 1201568228 /nfs/dbraw/zinc/56/82/28/1201568228.db2.gz XMGUTNVWZHLMKS-OAHLLOKOSA-N 0 3 391.449 0.162 20 30 GCEDHN CC(C)(C)OC(=O)NCCCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910299 1201568403 /nfs/dbraw/zinc/56/84/03/1201568403.db2.gz OGCMAVAFDNIRJK-GFCCVEGCSA-N 0 3 387.458 0.257 20 30 GCEDHN CC(C)(C)c1noc(CCCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)n1 ZINC000732911028 1201569391 /nfs/dbraw/zinc/56/93/91/1201569391.db2.gz XHTHXEGINBVWHG-GFCCVEGCSA-N 0 3 396.469 0.656 20 30 GCEDHN COc1cccc(COCC(=O)C(C#N)C(=O)N2CCS(=O)(=O)CC2)c1 ZINC000732910416 1201569635 /nfs/dbraw/zinc/56/96/35/1201569635.db2.gz POXHGYWZTDAARX-HNNXBMFYSA-N 0 3 380.422 0.178 20 30 GCEDHN C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1 ZINC000733148998 1201577742 /nfs/dbraw/zinc/57/77/42/1201577742.db2.gz SYDQYTBPUZKTSF-FQEVSTJZSA-N 0 3 397.523 0.577 20 30 GCEDHN COCC[N@H+](C)CCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742537731 1201799563 /nfs/dbraw/zinc/79/95/63/1201799563.db2.gz ONONQPUBSASXBL-AWEZNQCLSA-N 0 3 396.513 0.588 20 30 GCEDHN COCC[N@@H+](C)CCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742537731 1201799566 /nfs/dbraw/zinc/79/95/66/1201799566.db2.gz ONONQPUBSASXBL-AWEZNQCLSA-N 0 3 396.513 0.588 20 30 GCEDHN C[C@H](CC(=O)N1CC[C@H](C[NH+](C)C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742678538 1201805192 /nfs/dbraw/zinc/80/51/92/1201805192.db2.gz QMNDHWOFJPMWEQ-ZIAGYGMSSA-N 0 3 378.498 0.914 20 30 GCEDHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 ZINC000766889595 1201960537 /nfs/dbraw/zinc/96/05/37/1201960537.db2.gz SPGOJQAJTXOLQI-MRXNPFEDSA-N 0 3 385.472 0.313 20 30 GCEDHN C=CCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C2 ZINC001109671445 1202103520 /nfs/dbraw/zinc/10/35/20/1202103520.db2.gz JIRACZJPFFWZKJ-OWSLCNJRSA-N 0 3 375.473 0.381 20 30 GCEDHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)C(C#N)C(=O)NC(C)C)C1=O ZINC000771577084 1202147586 /nfs/dbraw/zinc/14/75/86/1202147586.db2.gz AORDMIPSNRYUCB-BLVKFPJESA-N 0 3 386.408 0.696 20 30 GCEDHN N#Cc1cccnc1NCCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000787754700 1205400027 /nfs/dbraw/zinc/40/00/27/1205400027.db2.gz GTVFXGPTWSRAFG-UHFFFAOYSA-N 0 3 384.484 0.958 20 30 GCEDHN CN1CCN(CCCCNC(=O)C(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000787906816 1205407093 /nfs/dbraw/zinc/40/70/93/1205407093.db2.gz AJJYTIBBAPNODU-UHFFFAOYSA-N 0 3 375.448 0.457 20 30 GCEDHN C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000788626140 1205427227 /nfs/dbraw/zinc/42/72/27/1205427227.db2.gz KWATWQRGFXSNTQ-UHFFFAOYSA-N 0 3 392.525 0.194 20 30 GCEDHN N#CC(C(=O)C1CC(OCc2ccccc2)C1)C(=O)N1CCS(=O)(=O)CC1 ZINC000747118242 1205498981 /nfs/dbraw/zinc/49/89/81/1205498981.db2.gz KGGSZEGGZBGHQE-OFLPRAFFSA-N 0 3 390.461 0.948 20 30 GCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC2)C[C@@H]1n1ccnn1 ZINC001129943292 1205525852 /nfs/dbraw/zinc/52/58/52/1205525852.db2.gz VXLWYIMKDMZSII-BDXSIMOUSA-N 0 3 375.473 0.637 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N(CCO)Cc2cccnc2Cl)CC1 ZINC000804892822 1205527605 /nfs/dbraw/zinc/52/76/05/1205527605.db2.gz ZCMXWRCYWDCZEB-UHFFFAOYSA-N 0 3 380.876 0.823 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)[n-]1 ZINC001130222962 1205537988 /nfs/dbraw/zinc/53/79/88/1205537988.db2.gz JSOAKIZDVZURES-NXOAAHMSSA-N 0 3 387.484 0.579 20 30 GCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@]23CCC[C@H]2OCC3)[n-]1 ZINC001130223061 1205538003 /nfs/dbraw/zinc/53/80/03/1205538003.db2.gz LDXWYCBXPUQBKP-MFCZKXCZSA-N 0 3 387.484 0.866 20 30 GCEDHN C#CCN1CCN(C(=O)CN(C)[C@H](C)C2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000808776354 1205612092 /nfs/dbraw/zinc/61/20/92/1205612092.db2.gz UEVDYZPBTGRSFG-QGZVFWFLSA-N 0 3 398.573 0.146 20 30 GCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 ZINC001131515650 1205615074 /nfs/dbraw/zinc/61/50/74/1205615074.db2.gz WSNHITJKGFPYOD-BEKAIBRUSA-N 0 3 391.512 0.537 20 30 GCEDHN C=CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 ZINC001131567401 1205618568 /nfs/dbraw/zinc/61/85/68/1205618568.db2.gz JRONVIXSVHRFRW-XSYGEPLQSA-N 0 3 391.512 0.865 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000815082262 1205697964 /nfs/dbraw/zinc/69/79/64/1205697964.db2.gz IAIRZKLACILUON-UHFFFAOYSA-N 0 3 399.538 0.705 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC ZINC000815083233 1205698164 /nfs/dbraw/zinc/69/81/64/1205698164.db2.gz RPFOZHQIFSRKFQ-UHFFFAOYSA-N 0 3 384.454 0.724 20 30 GCEDHN C=CCOC1CCC(N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001173319649 1205719597 /nfs/dbraw/zinc/71/95/97/1205719597.db2.gz QDXUCAVKOHJXBU-BTRQGYIVSA-N 0 3 389.496 0.664 20 30 GCEDHN C[C@H](CC(=O)N1CC(N[C@H]2CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001179008835 1205799355 /nfs/dbraw/zinc/79/93/55/1205799355.db2.gz SQIMXOBJSDTVRQ-OLZOCXBDSA-N 0 3 392.481 0.093 20 30 GCEDHN CN1CC[C@@H](C(=O)C(C#N)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)C1=O ZINC000773982353 1205857636 /nfs/dbraw/zinc/85/76/36/1205857636.db2.gz GWSNXIXCLVKTJD-UWVGGRQHSA-N 0 3 388.336 0.492 20 30 GCEDHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)NCC#Cc1ccccc1 ZINC001184424817 1205910431 /nfs/dbraw/zinc/91/04/31/1205910431.db2.gz NCJDIMHGQVBBBD-YENHRIDLSA-N 0 3 393.487 0.768 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CCCS(=O)(=O)N(C)C)C[C@H]21 ZINC001189175730 1205999635 /nfs/dbraw/zinc/99/96/35/1205999635.db2.gz ZSHBJZRCIVBRAU-HZMVEIRTSA-N 0 3 385.530 0.392 20 30 GCEDHN C#CCNC(=O)[C@H](C)[NH2+][C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573284929 946762957 /nfs/dbraw/zinc/76/29/57/946762957.db2.gz ANQKCUOWFAQMAU-GXTWGEPZSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573285733 946787139 /nfs/dbraw/zinc/78/71/39/946787139.db2.gz MMUABLPOMHZWQU-BXUZGUMPSA-N 0 3 386.460 0.067 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573285992 946792381 /nfs/dbraw/zinc/79/23/81/946792381.db2.gz QXIFRYKSDQHXGB-UONOGXRCSA-N 0 3 386.431 0.982 20 30 GCEDHN C#CCO[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285992 946792386 /nfs/dbraw/zinc/79/23/86/946792386.db2.gz QXIFRYKSDQHXGB-UONOGXRCSA-N 0 3 386.431 0.982 20 30 GCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573285991 946792809 /nfs/dbraw/zinc/79/28/09/946792809.db2.gz QXIFRYKSDQHXGB-KGLIPLIRSA-N 0 3 386.431 0.982 20 30 GCEDHN C#CCO[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285991 946792816 /nfs/dbraw/zinc/79/28/16/946792816.db2.gz QXIFRYKSDQHXGB-KGLIPLIRSA-N 0 3 386.431 0.982 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567681 947052180 /nfs/dbraw/zinc/05/21/80/947052180.db2.gz QVAVODNLIMNKJE-KZULUSFZSA-N 0 3 387.419 0.609 20 30 GCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)CCOCC1 ZINC001573573378 947121208 /nfs/dbraw/zinc/12/12/08/947121208.db2.gz MZVJHQRNOLZGAY-LBPRGKRZSA-N 0 3 387.419 0.920 20 30 GCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001573573483 947122334 /nfs/dbraw/zinc/12/23/34/947122334.db2.gz OATSNDUJUHALAH-LBPRGKRZSA-N 0 3 387.419 0.920 20 30 GCEDHN C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001573573483 947122338 /nfs/dbraw/zinc/12/23/38/947122338.db2.gz OATSNDUJUHALAH-LBPRGKRZSA-N 0 3 387.419 0.920 20 30 GCEDHN C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)c(F)c2)CCOCC1 ZINC001573577096 947161747 /nfs/dbraw/zinc/16/17/47/947161747.db2.gz MBAGTZRKZAETPY-GFCCVEGCSA-N 0 3 387.419 0.920 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573334756 947463040 /nfs/dbraw/zinc/46/30/40/947463040.db2.gz HYGWNAMTGDEOME-CYBMUJFWSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573334756 947463049 /nfs/dbraw/zinc/46/30/49/947463049.db2.gz HYGWNAMTGDEOME-CYBMUJFWSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573335666 947485968 /nfs/dbraw/zinc/48/59/68/947485968.db2.gz SBCIOPLABYSHDD-CYBMUJFWSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573335666 947485974 /nfs/dbraw/zinc/48/59/74/947485974.db2.gz SBCIOPLABYSHDD-CYBMUJFWSA-N 0 3 386.460 0.329 20 30 GCEDHN C=CCOCC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001573342693 947544778 /nfs/dbraw/zinc/54/47/78/947544778.db2.gz AAKYUYBCXGIQBK-UHFFFAOYSA-N 0 3 386.456 0.824 20 30 GCEDHN C=CCOCC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001573342693 947544781 /nfs/dbraw/zinc/54/47/81/947544781.db2.gz AAKYUYBCXGIQBK-UHFFFAOYSA-N 0 3 386.456 0.824 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001573350270 947593536 /nfs/dbraw/zinc/59/35/36/947593536.db2.gz BRYISRIWQQFQEX-HNNXBMFYSA-N 0 3 381.444 0.942 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001573350270 947593542 /nfs/dbraw/zinc/59/35/42/947593542.db2.gz BRYISRIWQQFQEX-HNNXBMFYSA-N 0 3 381.444 0.942 20 30 GCEDHN C[NH+]=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCC(O)CC1 ZINC000261947286 530131330 /nfs/dbraw/zinc/13/13/30/530131330.db2.gz YMRCJSAFEVXDGB-UHFFFAOYSA-N 0 3 380.923 0.712 20 30 GCEDHN CS(=O)(=O)CC1CCC(NCCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000580553562 530323860 /nfs/dbraw/zinc/32/38/60/530323860.db2.gz ABXZVTPKRZWHDZ-UHFFFAOYSA-N 0 3 385.511 0.920 20 30 GCEDHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000582332090 530327477 /nfs/dbraw/zinc/32/74/77/530327477.db2.gz UBTOBRJHEPDZBG-GJZGRUSLSA-N 0 3 382.511 0.341 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1 ZINC000588292361 530342200 /nfs/dbraw/zinc/34/22/00/530342200.db2.gz HNSXHSINLNJFGB-ZWNOBZJWSA-N 0 3 386.455 0.267 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000588292358 530342258 /nfs/dbraw/zinc/34/22/58/530342258.db2.gz HNSXHSINLNJFGB-GWCFXTLKSA-N 0 3 386.455 0.267 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1 ZINC000588292360 530342476 /nfs/dbraw/zinc/34/24/76/530342476.db2.gz HNSXHSINLNJFGB-MFKMUULPSA-N 0 3 386.455 0.267 20 30 GCEDHN C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N ZINC000594638801 530433550 /nfs/dbraw/zinc/43/35/50/530433550.db2.gz OTTGZDWQUKJJPN-ZIAGYGMSSA-N 0 3 392.547 0.096 20 30 GCEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572135757 530510079 /nfs/dbraw/zinc/51/00/79/530510079.db2.gz KWZJRVXTLGSMDV-SKDRFNHKSA-N 0 3 399.270 0.253 20 30 GCEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572135755 530510083 /nfs/dbraw/zinc/51/00/83/530510083.db2.gz KWZJRVXTLGSMDV-CABZTGNLSA-N 0 3 399.270 0.253 20 30 GCEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572135756 530510096 /nfs/dbraw/zinc/51/00/96/530510096.db2.gz KWZJRVXTLGSMDV-JOYOIKCWSA-N 0 3 399.270 0.253 20 30 GCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000293531286 530566500 /nfs/dbraw/zinc/56/65/00/530566500.db2.gz ZZJBGDLWBMDTIT-UHFFFAOYSA-N 0 3 383.246 0.158 20 30 GCEDHN C=CCN(CC=C)[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)C(C)C ZINC000297002540 530569329 /nfs/dbraw/zinc/56/93/29/530569329.db2.gz GWYQEHDXRXYHST-HNNXBMFYSA-N 0 3 375.539 0.380 20 30 GCEDHN CN(C[C@@H]1CCCN(C)C1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329323914 530610674 /nfs/dbraw/zinc/61/06/74/530610674.db2.gz HTIHWEWRVHZPJR-CQSZACIVSA-N 0 3 378.564 0.553 20 30 GCEDHN CN(C)[C@]1(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CCSC1 ZINC000330057592 530624936 /nfs/dbraw/zinc/62/49/36/530624936.db2.gz XSXSSMCLDVNYCT-IOASZLSFSA-N 0 3 389.543 0.416 20 30 GCEDHN CNS(=O)(=O)c1csc(C(=O)[N-]c2n[nH]c(CCC[NH2+]C)c2C#N)c1 ZINC000534056301 530902179 /nfs/dbraw/zinc/90/21/79/530902179.db2.gz PWTIQVHCPAVXGR-UHFFFAOYSA-N 0 3 382.471 0.655 20 30 GCEDHN C=C(C)C[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735399986 598370617 /nfs/dbraw/zinc/37/06/17/598370617.db2.gz ZFHINNLHXCYCQE-UHFFFAOYSA-N 0 3 383.456 0.753 20 30 GCEDHN C#CCN1CCC(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000124803762 641515534 /nfs/dbraw/zinc/51/55/34/641515534.db2.gz OBKBGELFPHYAKD-UHFFFAOYSA-N 0 3 381.420 0.762 20 30 GCEDHN C#CC[N@@H+](C)CCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867311649 642359421 /nfs/dbraw/zinc/35/94/21/642359421.db2.gz SYFQSBCNNBGSLN-UHFFFAOYSA-N 0 3 396.254 0.258 20 30 GCEDHN C#CC[N@H+](C)CCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867311649 642359427 /nfs/dbraw/zinc/35/94/27/642359427.db2.gz SYFQSBCNNBGSLN-UHFFFAOYSA-N 0 3 396.254 0.258 20 30 GCEDHN Cc1c(Br)c(C)n(NC(=O)[C@@H]2CN3CCN2CCC3)c(=O)c1C#N ZINC000848376358 642537348 /nfs/dbraw/zinc/53/73/48/642537348.db2.gz SOQAIHYKHIORGW-ZDUSSCGKSA-N 0 3 394.273 0.559 20 30 GCEDHN Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)NCC#N ZINC000599939819 1192258166 /nfs/dbraw/zinc/25/81/66/1192258166.db2.gz ZTMXPAWWXNSHCX-JKSUJKDBSA-N 0 3 392.481 0.078 20 30 GCEDHN N#Cc1cccnc1OC1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000568649714 1192320943 /nfs/dbraw/zinc/32/09/43/1192320943.db2.gz UKABTQBSWWHAAU-MNAZLIDISA-N 0 3 398.467 0.597 20 30 GCEDHN Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3CNCCO3)c(C#N)c2N)cc1 ZINC000418753617 1192639670 /nfs/dbraw/zinc/63/96/70/1192639670.db2.gz ADYUVKDCXMNPRL-INIZCTEOSA-N 0 3 397.483 0.855 20 30 GCEDHN Cc1ccc(-n2nc(CCCNC(=O)NC[C@H]3CNCCO3)c(C#N)c2N)cc1 ZINC000418753619 1192639692 /nfs/dbraw/zinc/63/96/92/1192639692.db2.gz ADYUVKDCXMNPRL-MRXNPFEDSA-N 0 3 397.483 0.855 20 30 GCEDHN N#Cc1ccsc1N1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000177046904 1184798010 /nfs/dbraw/zinc/79/80/10/1184798010.db2.gz KCQZHROVRVSCFT-INIZCTEOSA-N 0 3 387.509 0.965 20 30 GCEDHN Cc1ncsc1CN(C)C[C@@H]1CCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1 ZINC000275625419 1184833207 /nfs/dbraw/zinc/83/32/07/1184833207.db2.gz JLFBULBSKKOWAE-ZDUSSCGKSA-N 0 3 388.497 0.679 20 30 GCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)N2CCCCC2)C[C@@H]1O ZINC000970706376 1184976784 /nfs/dbraw/zinc/97/67/84/1184976784.db2.gz HRHRIJZEYQVUNG-NCOADZHNSA-N 0 3 379.501 0.530 20 30 GCEDHN CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](N)CCCC#N)c2)CC1 ZINC000581312743 1185584572 /nfs/dbraw/zinc/58/45/72/1185584572.db2.gz CQACVWNFEPCGFJ-MRXNPFEDSA-N 0 3 379.486 0.582 20 30 GCEDHN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CCCc1[nH]nc(N)c1C#N ZINC000121471304 1185899955 /nfs/dbraw/zinc/89/99/55/1185899955.db2.gz XKFIAVMMGPFQLZ-CQSZACIVSA-N 0 3 397.487 0.255 20 30 GCEDHN CCN1CCC[C@@H](CN(C)C(=O)NCCn2cnc(C#N)n2)[C@@H]1c1cnn(C)c1 ZINC000510502435 1186005619 /nfs/dbraw/zinc/00/56/19/1186005619.db2.gz QIECKYBWTLGLIR-MAUKXSAKSA-N 0 3 399.503 0.998 20 30 GCEDHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1=O ZINC000276821763 1186092863 /nfs/dbraw/zinc/09/28/63/1186092863.db2.gz AIZCPYICBRLDJW-ROUUACIJSA-N 0 3 397.479 0.185 20 30 GCEDHN C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C)Cc2ccsc2)C1=O ZINC000458202495 1186214655 /nfs/dbraw/zinc/21/46/55/1186214655.db2.gz NPAHXACMWHQTSY-UHFFFAOYSA-N 0 3 378.454 0.615 20 30 GCEDHN Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001707916641 1186275029 /nfs/dbraw/zinc/27/50/29/1186275029.db2.gz KWUDRJVGDUJTLS-HZPDHXFCSA-N 0 3 375.477 0.258 20 30 GCEDHN C#CCN1CCC(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000151776039 1186331405 /nfs/dbraw/zinc/33/14/05/1186331405.db2.gz XUHSVDWETZBCDZ-HZPDHXFCSA-N 0 3 387.484 0.803 20 30 GCEDHN C#CCN1CCC(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000151775888 1186331447 /nfs/dbraw/zinc/33/14/47/1186331447.db2.gz XUHSVDWETZBCDZ-IYBDPMFKSA-N 0 3 387.484 0.803 20 30 GCEDHN COCCN1CC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000277334239 1186338820 /nfs/dbraw/zinc/33/88/20/1186338820.db2.gz WSNICRQDXFYWKR-ROUUACIJSA-N 0 3 385.468 0.679 20 30 GCEDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 ZINC000277334247 1186339106 /nfs/dbraw/zinc/33/91/06/1186339106.db2.gz WSNICRQDXFYWKR-ZWKOTPCHSA-N 0 3 385.468 0.679 20 30 GCEDHN N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000582192368 1186459458 /nfs/dbraw/zinc/45/94/58/1186459458.db2.gz HONHCNMAHACNQJ-FZMZJTMJSA-N 0 3 383.387 0.659 20 30 GCEDHN C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCN2CC[NH2+]CC2)ccc1F ZINC000237728914 1186715724 /nfs/dbraw/zinc/71/57/24/1186715724.db2.gz YYABKBKSBVLJRM-UHFFFAOYSA-N 0 3 384.477 0.315 20 30 GCEDHN O=C(CN1CCCC1)N1CCN(C(=O)NCCN2C(=O)Cc3ccccc32)CC1 ZINC000329170407 1186871063 /nfs/dbraw/zinc/87/10/63/1186871063.db2.gz JNPLDAZGGXJSPC-UHFFFAOYSA-N 0 3 399.495 0.730 20 30 GCEDHN CN(C)C(=O)[C@H]1CCCN1CCCNCCS(=O)(=O)c1ccc(C#N)cc1 ZINC000583929659 1186963762 /nfs/dbraw/zinc/96/37/62/1186963762.db2.gz VJTHZAIQWJRELG-GOSISDBHSA-N 0 3 392.525 0.864 20 30 GCEDHN CC(C)(C)N1CCCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000584455858 1187071863 /nfs/dbraw/zinc/07/18/63/1187071863.db2.gz UTFXYXPVTGKSGU-UHFFFAOYSA-N 0 3 398.511 0.935 20 30 GCEDHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOC[C@H]1CCS(=O)(=O)C1 ZINC000278778573 1187122153 /nfs/dbraw/zinc/12/21/53/1187122153.db2.gz YYSZKUURQPSJEU-GOSISDBHSA-N 0 3 394.541 0.918 20 30 GCEDHN CC(C)N1CCN(C2CCN(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000329856262 1187130298 /nfs/dbraw/zinc/13/02/98/1187130298.db2.gz UQMRGCRRRIPSJZ-MRXNPFEDSA-N 0 3 386.562 0.968 20 30 GCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000658537446 1187337860 /nfs/dbraw/zinc/33/78/60/1187337860.db2.gz WKQMZLFHOMSZAO-QGZVFWFLSA-N 0 3 376.501 0.568 20 30 GCEDHN CCN1CCN(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)C(=O)C1=O ZINC000065930509 1187495946 /nfs/dbraw/zinc/49/59/46/1187495946.db2.gz FIMLDPUMZYKQCU-UHFFFAOYSA-N 0 3 385.468 0.139 20 30 GCEDHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)nn1 ZINC000612828358 1187599209 /nfs/dbraw/zinc/59/92/09/1187599209.db2.gz WKTZCHBBXDDQQV-CVEARBPZSA-N 0 3 385.424 0.817 20 30 GCEDHN Cc1c(C(=O)NCCn2cnc(C#N)n2)nnn1-c1cccc2c1CCN(C)C2 ZINC000376464274 1187855223 /nfs/dbraw/zinc/85/52/23/1187855223.db2.gz YSUDAKKXKOJVGF-UHFFFAOYSA-N 0 3 391.439 0.457 20 30 GCEDHN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](CC(N)=O)C2)CC1 ZINC000377604408 1188086822 /nfs/dbraw/zinc/08/68/22/1188086822.db2.gz RNHXBYWZLKPSSD-CRAIPNDOSA-N 0 3 387.459 0.732 20 30 GCEDHN CN1CCC(CNS(=O)(=O)c2ccc(C#N)nc2)(N2CCOCC2)CC1 ZINC000416578437 1189553437 /nfs/dbraw/zinc/55/34/37/1189553437.db2.gz GTPJWPSFRPQWEO-UHFFFAOYSA-N 0 3 379.486 0.028 20 30 GCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000364069626 1189640022 /nfs/dbraw/zinc/64/00/22/1189640022.db2.gz YJWFETYTPNFCSL-HZPDHXFCSA-N 0 3 379.482 0.744 20 30 GCEDHN Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](O)CC(C)(C)C3)CC2)o1 ZINC000584761508 1189656428 /nfs/dbraw/zinc/65/64/28/1189656428.db2.gz CCWMSFRKZJMNRZ-HNNXBMFYSA-N 0 3 375.473 0.986 20 30 GCEDHN COc1cc(CNCCn2cnc(C#N)n2)ccc1OCC(=O)N1CCCC1 ZINC000512898657 1193796407 /nfs/dbraw/zinc/79/64/07/1193796407.db2.gz HJKUMPKFJBTOMU-UHFFFAOYSA-N 0 3 384.440 0.949 20 30 GCEDHN C[NH+]=C(NCCNC(=O)c1ccc([O-])cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262687869 1193953899 /nfs/dbraw/zinc/95/38/99/1193953899.db2.gz BGGYEQGFWRLJIQ-UHFFFAOYSA-N 0 3 382.486 0.206 20 30 GCEDHN CC(C)n1nccc1/C=c1\sc(=C(C#N)C#N)n(C2CCN(C)CC2)c1=O ZINC000279980775 1193971981 /nfs/dbraw/zinc/97/19/81/1193971981.db2.gz PYWQIJOLTGMBTN-YVLHZVERSA-N 0 3 382.493 0.981 20 30 GCEDHN C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419911562 1194142808 /nfs/dbraw/zinc/14/28/08/1194142808.db2.gz JTIDQCGFKNGVDY-ZBFHGGJFSA-N 0 3 393.451 0.202 20 30 GCEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000420039335 1194165466 /nfs/dbraw/zinc/16/54/66/1194165466.db2.gz NTNPBMAZHAGGGF-RRQGHBQHSA-N 0 3 386.452 0.687 20 30 GCEDHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000420039337 1194165565 /nfs/dbraw/zinc/16/55/65/1194165565.db2.gz NTNPBMAZHAGGGF-XKQJLSEDSA-N 0 3 386.452 0.687 20 30 GCEDHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000420039333 1194165779 /nfs/dbraw/zinc/16/57/79/1194165779.db2.gz NTNPBMAZHAGGGF-JQFCIGGWSA-N 0 3 386.452 0.687 20 30 GCEDHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000422388135 1194632431 /nfs/dbraw/zinc/63/24/31/1194632431.db2.gz LGRLCYUQGHVKRB-MSOLQXFVSA-N 0 3 397.479 0.328 20 30 GCEDHN COc1ccc(NC(=O)[C@H](N)CCCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000424079963 1194801177 /nfs/dbraw/zinc/80/11/77/1194801177.db2.gz RVGOQDVYNFLUAZ-CQSZACIVSA-N 0 3 396.469 0.676 20 30 GCEDHN N#CCCC[C@H](N)C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000424147973 1194803906 /nfs/dbraw/zinc/80/39/06/1194803906.db2.gz ZGMYCNWDAWPXMC-YJBOKZPZSA-N 0 3 386.452 0.955 20 30 GCEDHN N#CCCC[C@H](N)C(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000424147971 1194804067 /nfs/dbraw/zinc/80/40/67/1194804067.db2.gz ZGMYCNWDAWPXMC-MAUKXSAKSA-N 0 3 386.452 0.955 20 30 GCEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000424171928 1194804713 /nfs/dbraw/zinc/80/47/13/1194804713.db2.gz KASNZCMNHLMJAL-CVEARBPZSA-N 0 3 387.488 0.419 20 30 GCEDHN CCOC(=O)[C@@H](C)[C@H](C)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000514228546 1194858533 /nfs/dbraw/zinc/85/85/33/1194858533.db2.gz GPGHXNFZAJAKNI-STQMWFEESA-N 0 3 377.445 0.681 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000141666919 1194869354 /nfs/dbraw/zinc/86/93/54/1194869354.db2.gz ZJUUIZMEGUKGDF-JKSUJKDBSA-N 0 3 387.509 0.963 20 30 GCEDHN COCCN(C)CCN1C[C@H](NC(=O)Cc2c(F)cccc2C#N)CC1=O ZINC000425317173 1194909447 /nfs/dbraw/zinc/90/94/47/1194909447.db2.gz MUBQKDOZOJOFTQ-OAHLLOKOSA-N 0 3 376.432 0.535 20 30 GCEDHN CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000515163420 1194951081 /nfs/dbraw/zinc/95/10/81/1194951081.db2.gz QCFFCACGOAHQHW-UHFFFAOYSA-N 0 3 376.509 0.464 20 30 GCEDHN N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000516180441 1195030710 /nfs/dbraw/zinc/03/07/10/1195030710.db2.gz UQXPURIHGOPPRV-FUHWJXTLSA-N 0 3 393.447 0.891 20 30 GCEDHN C=CCn1cc(CNC(=O)C(=O)Nc2cccc(N3CCN(CC)CC3)c2)nn1 ZINC000425795976 1195100952 /nfs/dbraw/zinc/10/09/52/1195100952.db2.gz MOOKVWKCTAJYND-UHFFFAOYSA-N 0 3 397.483 0.861 20 30 GCEDHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)[C@@H]2C1 ZINC000425816310 1195120476 /nfs/dbraw/zinc/12/04/76/1195120476.db2.gz GCJZZZYSMJJGDU-SUMWQHHRSA-N 0 3 396.426 1.374 20 30 GCEDHN CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C1CCN(C)CC1 ZINC000518725121 1195323372 /nfs/dbraw/zinc/32/33/72/1195323372.db2.gz BYHVKCSQWVYPMA-UHFFFAOYSA-N 0 3 396.516 0.734 20 30 GCEDHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000440090508 1195381826 /nfs/dbraw/zinc/38/18/26/1195381826.db2.gz HHFBXGFMBAYEJG-ZDUSSCGKSA-N 0 3 381.458 0.771 20 30 GCEDHN C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000121920395 1195464794 /nfs/dbraw/zinc/46/47/94/1195464794.db2.gz WDHPWRMUMZPFDV-INIZCTEOSA-N 0 3 392.525 0.211 20 30 GCEDHN CN(C)c1nc(CN(C)[C@H]2CCN(C(=O)NC3CC[NH+](C)CC3)C2)cc(=O)[n-]1 ZINC000328681525 1195660475 /nfs/dbraw/zinc/66/04/75/1195660475.db2.gz COAGVQDIRKZOQY-INIZCTEOSA-N 0 3 391.520 0.763 20 30 GCEDHN 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C[C@H](CC(=O)NC[C@H](C1CC1)[NH+](C)C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742561742 1201799790 /nfs/dbraw/zinc/79/97/90/1201799790.db2.gz VPWKGVFJMJNCGO-IUODEOHRSA-N 0 3 378.498 0.960 20 30 GCEDHN C=CCSCC(=O)N1CCn2cc(C(=O)NC3CCN(C)CC3)nc2C1 ZINC001273422179 1201843331 /nfs/dbraw/zinc/84/33/31/1201843331.db2.gz GGNFXBHSIYHMNC-UHFFFAOYSA-N 0 3 377.514 0.969 20 30 GCEDHN CN(C)/C=N/c1ccc(NCCN2CCN(S(C)(=O)=O)CC2)cc1C#N ZINC001169343112 1201943379 /nfs/dbraw/zinc/94/33/79/1201943379.db2.gz ARXOBTBFEQZEIU-XSFVSMFZSA-N 0 3 378.502 0.769 20 30 GCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(N(C)C)CCC1)C2 ZINC001109402491 1202039219 /nfs/dbraw/zinc/03/92/19/1202039219.db2.gz RTEJXBBTSMODRV-IKGGRYGDSA-N 0 3 375.517 0.954 20 30 GCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN(C)C1CCC1)C2 ZINC001109406111 1202039459 /nfs/dbraw/zinc/03/94/59/1202039459.db2.gz ODXWXHNRQRCREB-SQNIBIBYSA-N 0 3 375.517 0.954 20 30 GCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2 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ZINC000788103098 1205413233 /nfs/dbraw/zinc/41/32/33/1205413233.db2.gz OLWPKSLEQGNPLT-JKSUJKDBSA-N 0 3 387.488 0.295 20 30 GCEDHN CN(C)Cc1ccc(S(=O)(=O)NCCNC(=O)C2N=CC=CC2=O)cc1 ZINC000788422038 1205422102 /nfs/dbraw/zinc/42/21/02/1205422102.db2.gz PTBIJHVIMHIGHO-MSUUIHNZSA-N 0 3 378.454 0.553 20 30 GCEDHN Cn1c(C(=O)C(C#N)C(=O)NC2CCCCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000789405641 1205440362 /nfs/dbraw/zinc/44/03/62/1205440362.db2.gz ZZRYZARAIDITGU-CYBMUJFWSA-N 0 3 385.424 0.347 20 30 GCEDHN C[C@@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)CN1CCN(C)CC1 ZINC000790194864 1205458786 /nfs/dbraw/zinc/45/87/86/1205458786.db2.gz JHIWLAOYDSMHCA-AWEZNQCLSA-N 0 3 375.448 0.313 20 30 GCEDHN C[C@H](CNC(=O)C(=O)NCc1cc(C#N)ccc1F)CN1CCN(C)CC1 ZINC000790194867 1205458928 /nfs/dbraw/zinc/45/89/28/1205458928.db2.gz JHIWLAOYDSMHCA-CQSZACIVSA-N 0 3 375.448 0.313 20 30 GCEDHN C#CCNc1nc(N2CCN(CC)[C@H](C)C2)nc(N2CCN(CC)[C@@H](C)C2)n1 ZINC000804574069 1205518123 /nfs/dbraw/zinc/51/81/23/1205518123.db2.gz KAVWEZMPWZQYRN-CALCHBBNSA-N 0 3 386.548 0.399 20 30 GCEDHN C#CCNc1nc(N2C[C@H](C)N(C)C[C@@H]2C)nc(N2C[C@H](C)N(C)C[C@@H]2C)n1 ZINC000804588734 1205518491 /nfs/dbraw/zinc/51/84/91/1205518491.db2.gz PRIDGQFKAPRVKL-QAETUUGQSA-N 0 3 386.548 0.396 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)CC1 ZINC000804889879 1205527489 /nfs/dbraw/zinc/52/74/89/1205527489.db2.gz JCMJHGOYUBPDFA-ZWKOTPCHSA-N 0 3 389.500 0.601 20 30 GCEDHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NC1CCN(CC#N)CC1 ZINC000805061849 1205531815 /nfs/dbraw/zinc/53/18/15/1205531815.db2.gz VJTFUZYHNJAYRM-UHFFFAOYSA-N 0 3 385.512 0.723 20 30 GCEDHN CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2OCC[C@H]2C(C)C)[n-]1 ZINC001130212748 1205536839 /nfs/dbraw/zinc/53/68/39/1205536839.db2.gz AURMUXJNXMMPRK-OVWQWFNUSA-N 0 3 389.500 0.967 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2cncn2C)[n-]1 ZINC001130237805 1205539232 /nfs/dbraw/zinc/53/92/32/1205539232.db2.gz FKZJAMHSIUQEEH-NHIYQJMISA-N 0 3 383.456 0.053 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)[n-]1 ZINC001130240689 1205539256 /nfs/dbraw/zinc/53/92/56/1205539256.db2.gz YZVHCDYZJIGYQA-NXOAAHMSSA-N 0 3 380.452 0.715 20 30 GCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[C@@H](C)O3)n[n-]2)O1 ZINC001130805172 1205571554 /nfs/dbraw/zinc/57/15/54/1205571554.db2.gz WIHXTXSQGFPXOF-QKPAOTATSA-N 0 3 391.472 0.448 20 30 GCEDHN COCC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3OCC[C@H]3C)n[n-]2)O1 ZINC001130809288 1205572564 /nfs/dbraw/zinc/57/25/64/1205572564.db2.gz PVDMEZAPNANJRE-DLTWYDFYSA-N 0 3 391.472 0.305 20 30 GCEDHN CC#CCN[C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cncn1C ZINC001131035946 1205588814 /nfs/dbraw/zinc/58/88/14/1205588814.db2.gz VMHRFRGKEYJVTI-KONPQCLYSA-N 0 3 387.484 0.141 20 30 GCEDHN C#CCN1CCC(C(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 ZINC000808148417 1205600467 /nfs/dbraw/zinc/60/04/67/1205600467.db2.gz XBQQRDNVQFDWEB-HXUWFJFHSA-N 0 3 384.436 0.839 20 30 GCEDHN CN(C)C[C@@H](CO)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000808173345 1205602241 /nfs/dbraw/zinc/60/22/41/1205602241.db2.gz GMMXJKGVLNSLKV-AWEZNQCLSA-N 0 3 396.513 0.324 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCCO1 ZINC000808900571 1205613575 /nfs/dbraw/zinc/61/35/75/1205613575.db2.gz UCVKINOCRUQJRM-AABGKKOBSA-N 0 3 399.491 0.691 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)N(C)C1CCN(CCc2ccccn2)CC1)[C@@H]1CCCO1 ZINC000809306610 1205621471 /nfs/dbraw/zinc/62/14/71/1205621471.db2.gz SPESMQMIPUMMOG-PMACEKPBSA-N 0 3 398.507 0.844 20 30 GCEDHN C#C[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000809305543 1205621493 /nfs/dbraw/zinc/62/14/93/1205621493.db2.gz FKCVTHTVACCEFV-MOPGFXCFSA-N 0 3 382.464 0.745 20 30 GCEDHN COc1ccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1C#N ZINC000809502604 1205626535 /nfs/dbraw/zinc/62/65/35/1205626535.db2.gz PQGGWVKKNHXUIO-UHFFFAOYSA-N 0 3 387.484 0.279 20 30 GCEDHN N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC000810366378 1205635990 /nfs/dbraw/zinc/63/59/90/1205635990.db2.gz JXIJOZGNPUEUQD-KGLIPLIRSA-N 0 3 395.423 0.057 20 30 GCEDHN C#CCN1CCC(C(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)CC1 ZINC000747624918 1205641543 /nfs/dbraw/zinc/64/15/43/1205641543.db2.gz IEZKHXHWQWQXOX-UHFFFAOYSA-N 0 3 395.463 0.887 20 30 GCEDHN Cn1c2[nH]c(CCC(=O)C(C#N)C(=O)NC3CCCCC3)nc2c(=O)[nH]c1=O ZINC000747801259 1205666907 /nfs/dbraw/zinc/66/69/07/1205666907.db2.gz BLNCXOYKGAKHLL-NSHDSACASA-N 0 3 386.412 0.453 20 30 GCEDHN COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C(=O)N([O-])C[C@@H]2C)CCN1C(=O)c1ccccc1 ZINC001173495792 1205721430 /nfs/dbraw/zinc/72/14/30/1205721430.db2.gz NCXLGGMYDWKXCU-TUUVXOQKSA-N 0 3 375.425 0.659 20 30 GCEDHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)N[C@@H](C#N)C(N)=O)CC2)C1 ZINC001183162383 1205889067 /nfs/dbraw/zinc/88/90/67/1205889067.db2.gz OXOZYZLXVPOMTO-KGLIPLIRSA-N 0 3 379.461 0.201 20 30 GCEDHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)N[C@H](C#N)C(N)=O)CC2)C1 ZINC001183162385 1205889164 /nfs/dbraw/zinc/88/91/64/1205889164.db2.gz OXOZYZLXVPOMTO-UONOGXRCSA-N 0 3 379.461 0.201 20 30 GCEDHN CN(C)[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000774917693 1205927975 /nfs/dbraw/zinc/92/79/75/1205927975.db2.gz HGFFMQZABMOPHG-GOSISDBHSA-N 0 3 394.479 0.770 20 30 GCEDHN C#CCN1CCN(C(=O)CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000774969169 1205934066 /nfs/dbraw/zinc/93/40/66/1205934066.db2.gz LCVXTOUATAUFHT-QGZVFWFLSA-N 0 3 398.507 0.772 20 30 GCEDHN C#CCNC(=O)[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573285768 946787085 /nfs/dbraw/zinc/78/70/85/946787085.db2.gz NCXNDRSWMYOXOW-GFCCVEGCSA-N 0 3 386.460 0.021 20 30 GCEDHN C#CCNC(=O)[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573285768 946787091 /nfs/dbraw/zinc/78/70/91/946787091.db2.gz NCXNDRSWMYOXOW-GFCCVEGCSA-N 0 3 386.460 0.021 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001573286231 946799816 /nfs/dbraw/zinc/79/98/16/946799816.db2.gz WSFCPJDGTBOKJR-YJBOKZPZSA-N 0 3 381.484 0.949 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(-c2nn[n-]n2)c1 ZINC001573286231 946799823 /nfs/dbraw/zinc/79/98/23/946799823.db2.gz WSFCPJDGTBOKJR-YJBOKZPZSA-N 0 3 381.484 0.949 20 30 GCEDHN C#CCOCCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573288005 946853818 /nfs/dbraw/zinc/85/38/18/946853818.db2.gz RAQHVNBZFXEEKA-UHFFFAOYSA-N 0 3 380.452 0.941 20 30 GCEDHN C#CCOCCC(=O)N1CC2(C1)CC[N@@H+](Cc1cccc(-c3nnn[n-]3)c1)C2 ZINC001573288005 946853823 /nfs/dbraw/zinc/85/38/23/946853823.db2.gz RAQHVNBZFXEEKA-UHFFFAOYSA-N 0 3 380.452 0.941 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573567731 947054805 /nfs/dbraw/zinc/05/48/05/947054805.db2.gz RNOFOOSIEWZKJP-JSGCOSHPSA-N 0 3 387.419 0.873 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCN([C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001573571065 947099016 /nfs/dbraw/zinc/09/90/16/947099016.db2.gz YDZRZZRIJQBBDS-ZIAGYGMSSA-N 0 3 381.444 0.144 20 30 GCEDHN C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573300358 947111216 /nfs/dbraw/zinc/11/12/16/947111216.db2.gz OVIIDFALGUKWMY-SUMWQHHRSA-N 0 3 385.472 0.932 20 30 GCEDHN C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573584515 947225231 /nfs/dbraw/zinc/22/52/31/947225231.db2.gz XDZROMOOTHAAAP-AWEZNQCLSA-N 0 3 382.472 0.697 20 30 GCEDHN C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573584515 947225239 /nfs/dbraw/zinc/22/52/39/947225239.db2.gz XDZROMOOTHAAAP-AWEZNQCLSA-N 0 3 382.472 0.697 20 30 GCEDHN C[C@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573584588 947228108 /nfs/dbraw/zinc/22/81/08/947228108.db2.gz YUSYRLBCVCDIQP-CQSZACIVSA-N 0 3 382.472 0.697 20 30 GCEDHN C=CCOCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573344176 947569262 /nfs/dbraw/zinc/56/92/62/947569262.db2.gz XUKLIAAGIMZHOC-UHFFFAOYSA-N 0 3 386.456 0.512 20 30 GCEDHN C=CCOCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573344176 947569268 /nfs/dbraw/zinc/56/92/68/947569268.db2.gz XUKLIAAGIMZHOC-UHFFFAOYSA-N 0 3 386.456 0.512 20 30 GCEDHN N#Cc1cccc(CS(=O)(=O)[N-]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261606492 530190064 /nfs/dbraw/zinc/19/00/64/530190064.db2.gz ARHNEKHMXVIYRS-AWEZNQCLSA-N 0 3 376.404 0.814 20 30 GCEDHN Cc1cccc(S(=O)(=O)[N-]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C#N ZINC000261745296 530192612 /nfs/dbraw/zinc/19/26/12/530192612.db2.gz KTMTXAGJBARZCW-CQSZACIVSA-N 0 3 376.404 0.981 20 30 GCEDHN COCCN(CCC#N)S(=O)(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000410143596 530235677 /nfs/dbraw/zinc/23/56/77/530235677.db2.gz RNOJSULXTNKVFM-UHFFFAOYSA-N 0 3 376.523 0.572 20 30 GCEDHN C=CCN1CCC(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000561569967 530281101 /nfs/dbraw/zinc/28/11/01/530281101.db2.gz XAAWMJWURPTFSB-LBPRGKRZSA-N 0 3 386.440 0.758 20 30 GCEDHN O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@@H](N2CCCCC2)C1 ZINC000329285840 530284410 /nfs/dbraw/zinc/28/44/10/530284410.db2.gz LUUUSSFBTBFHSU-OAHLLOKOSA-N 0 3 390.575 0.839 20 30 GCEDHN O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@H](N2CCCCC2)C1 ZINC000329285839 530284452 /nfs/dbraw/zinc/28/44/52/530284452.db2.gz LUUUSSFBTBFHSU-HNNXBMFYSA-N 0 3 390.575 0.839 20 30 GCEDHN N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000584183486 530359953 /nfs/dbraw/zinc/35/99/53/530359953.db2.gz JXDIILGVYDTPHV-YPMHNXCESA-N 0 3 399.270 0.253 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc1 ZINC000289920129 530428997 /nfs/dbraw/zinc/42/89/97/530428997.db2.gz VCLWRTMLCJBABM-NSHDSACASA-N 0 3 388.471 0.385 20 30 GCEDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000295140685 530461168 /nfs/dbraw/zinc/46/11/68/530461168.db2.gz DTSPBSYIIKDOQF-NSHDSACASA-N 0 3 384.845 0.994 20 30 GCEDHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000295140683 530461365 /nfs/dbraw/zinc/46/13/65/530461365.db2.gz DTSPBSYIIKDOQF-LLVKDONJSA-N 0 3 384.845 0.994 20 30 GCEDHN C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)N1CCC[C@@H](C)C1 ZINC000328658671 530517366 /nfs/dbraw/zinc/51/73/66/530517366.db2.gz RLZJGBUZSQJVLH-CABCVRRESA-N 0 3 392.591 0.989 20 30 GCEDHN C=CCN1CC[C@H](N(C)S(=O)(=O)C(CC(=O)OCC)C(F)(F)F)C1=O ZINC000296208184 530568724 /nfs/dbraw/zinc/56/87/24/530568724.db2.gz WKPVHBXLLZWQAC-QWRGUYRKSA-N 0 3 386.392 0.919 20 30 GCEDHN C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000296791048 530569353 /nfs/dbraw/zinc/56/93/53/530569353.db2.gz HOBRWVMHZPKKEF-UHFFFAOYSA-N 0 3 386.543 0.898 20 30 GCEDHN CCS(=O)(=O)NC1CCN(C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000330061777 530625543 /nfs/dbraw/zinc/62/55/43/530625543.db2.gz AHFWGDPMLSLOJA-OAHLLOKOSA-N 0 3 378.564 0.741 20 30 GCEDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329864276 530621902 /nfs/dbraw/zinc/62/19/02/530621902.db2.gz ZOVNPEOESFDZEY-AWEZNQCLSA-N 0 3 392.591 0.941 20 30 GCEDHN CC[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000349478118 530648143 /nfs/dbraw/zinc/64/81/43/530648143.db2.gz RWWKCSINTBUEEQ-ZNMIVQPWSA-N 0 3 392.547 0.096 20 30 GCEDHN 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C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000815861428 641835064 /nfs/dbraw/zinc/83/50/64/641835064.db2.gz IBNILVCKTHWYMO-UHFFFAOYSA-N 0 3 385.873 0.753 20 30 GCEDHN C#CCN(C)CCCNC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000836316531 642247887 /nfs/dbraw/zinc/24/78/87/642247887.db2.gz APAQSWIVPLUWTL-UHFFFAOYSA-N 0 3 380.461 0.505 20 30 GCEDHN Cc1cccc(N2CCN(CCCNc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)c1 ZINC000025579160 1192261154 /nfs/dbraw/zinc/26/11/54/1192261154.db2.gz LHSBPYKYVWCTMH-UHFFFAOYSA-N 0 3 396.495 0.888 20 30 GCEDHN C#CCN1CCC(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066942052 1192276777 /nfs/dbraw/zinc/27/67/77/1192276777.db2.gz RKAHRLHCWPYERN-UHFFFAOYSA-N 0 3 394.453 0.335 20 30 GCEDHN CCS(=O)(=O)N1CCC(CNCCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000568503221 1192305523 /nfs/dbraw/zinc/30/55/23/1192305523.db2.gz GDQMUGKXDJTADA-UHFFFAOYSA-N 0 3 399.538 0.983 20 30 GCEDHN CC1CCN(CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000585716431 1192396391 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ZINC001024135154 1187263408 /nfs/dbraw/zinc/26/34/08/1187263408.db2.gz MPDFVHPVGFPPAD-MKXGPGLRSA-N 0 3 387.480 0.641 20 30 GCEDHN N#Cc1cc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1C(F)(F)F ZINC000582556056 1187751878 /nfs/dbraw/zinc/75/18/78/1187751878.db2.gz BUQCPOVDIUCFGS-GWCFXTLKSA-N 0 3 388.371 0.510 20 30 GCEDHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 ZINC000582674306 1187774480 /nfs/dbraw/zinc/77/44/80/1187774480.db2.gz MULKVWCYOJVKMR-UHFFFAOYSA-N 0 3 397.479 0.460 20 30 GCEDHN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](CC(N)=O)C2)CC1 ZINC000377604413 1188086725 /nfs/dbraw/zinc/08/67/25/1188086725.db2.gz RNHXBYWZLKPSSD-QAPCUYQASA-N 0 3 387.459 0.732 20 30 GCEDHN CC1CCN(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000377931366 1189376249 /nfs/dbraw/zinc/37/62/49/1189376249.db2.gz HJTSTILBJZXZEE-UHFFFAOYSA-N 0 3 381.440 0.926 20 30 GCEDHN N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2C2CC2)cc1 ZINC000290394644 1189381373 /nfs/dbraw/zinc/38/13/73/1189381373.db2.gz 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Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@H](C)N1CCCC1 ZINC000546600395 1200969146 /nfs/dbraw/zinc/96/91/46/1200969146.db2.gz KCRHEJHCSOQWDV-AWEZNQCLSA-N 0 3 381.440 0.986 20 30 GCEDHN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CCc2ccccc2[C@@H]1CN ZINC000575868641 1201098158 /nfs/dbraw/zinc/09/81/58/1201098158.db2.gz GLAXTBWPHLBJOU-KRWDZBQOSA-N 0 3 395.467 0.339 20 30 GCEDHN C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCC(C)CC1 ZINC000586827760 1201138932 /nfs/dbraw/zinc/13/89/32/1201138932.db2.gz BQQBXKZCJQTQIJ-CQSZACIVSA-N 0 3 389.504 0.491 20 30 GCEDHN C#CCN1CCC[C@@H](NC(=O)CCCCC(=O)N[C@H]2CCCN(CC#C)C2)C1 ZINC000923579322 1201158826 /nfs/dbraw/zinc/15/88/26/1201158826.db2.gz QGEUTFYGFKUYDK-BGYRXZFFSA-N 0 3 386.540 0.974 20 30 GCEDHN C=CCN1CCC2(CN(C(=O)CC[C@H]3CC[C@@H](C(N)=O)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079252935 1201249574 /nfs/dbraw/zinc/24/95/74/1201249574.db2.gz TVPNNTXMWANEAY-XDNAFOTISA-N 0 3 391.512 0.925 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2cc(=O)n3nccc3[nH]2)C1 ZINC001082798682 1201349522 /nfs/dbraw/zinc/34/95/22/1201349522.db2.gz GYKIORPXRNBGGE-DEWZPKMOSA-N 0 3 385.468 0.940 20 30 GCEDHN COCCN1CCC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 ZINC000729982627 1201422468 /nfs/dbraw/zinc/42/24/68/1201422468.db2.gz CDGUBWULDDVSEX-AWEZNQCLSA-N 0 3 394.497 0.342 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H]2CCN(CCN3C(=O)CNC3=O)[C@H]2C1 ZINC001085055126 1201562906 /nfs/dbraw/zinc/56/29/06/1201562906.db2.gz QOYVJXJXIYLMLV-CVYDXHPNSA-N 0 3 390.484 0.442 20 30 GCEDHN N#CC(C(=O)COCCOc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909033 1201568129 /nfs/dbraw/zinc/56/81/29/1201568129.db2.gz WMRIHANQOPQVGC-OAHLLOKOSA-N 0 3 380.422 0.048 20 30 GCEDHN C[C@H](Oc1ccc(F)c(F)c1)C(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC000732909844 1201568412 /nfs/dbraw/zinc/56/84/12/1201568412.db2.gz GTGXYVSWYZWNQH-JQWIXIFHSA-N 0 3 386.376 0.698 20 30 GCEDHN N#Cc1c(F)cccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000742290726 1201795046 /nfs/dbraw/zinc/79/50/46/1201795046.db2.gz RMKIIZSFMRRIMN-UHFFFAOYSA-N 0 3 380.445 0.626 20 30 GCEDHN C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000743911907 1201826139 /nfs/dbraw/zinc/82/61/39/1201826139.db2.gz NIZBYCPVSLWOAS-UHFFFAOYSA-N 0 3 390.459 0.920 20 30 GCEDHN O=C(CCNC(=O)C1N=CC=CC1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746227473 1201903326 /nfs/dbraw/zinc/90/33/26/1201903326.db2.gz YCRWXRXUBVBSAZ-QBEKEKFNSA-N 0 3 398.463 0.438 20 30 GCEDHN C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C2 ZINC001109427882 1202046393 /nfs/dbraw/zinc/04/63/93/1202046393.db2.gz APHMSMIHMQWSPM-AESZEHBQSA-N 0 3 379.505 0.306 20 30 GCEDHN CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CC[C@@H](C)C1)C2 ZINC001109718806 1202111195 /nfs/dbraw/zinc/11/11/95/1202111195.db2.gz LDQYWLXIWBCSBD-BDXSIMOUSA-N 0 3 375.517 0.812 20 30 GCEDHN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C2CC2)C1 ZINC000746881628 1205456967 /nfs/dbraw/zinc/45/69/67/1205456967.db2.gz ALELIBFIWCCBBO-ZDUSSCGKSA-N 0 3 376.482 0.858 20 30 GCEDHN C#CCNc1nc(NC[C@]2(OC)CCOC2)nc(NC[C@@]2(OC)CCOC2)n1 ZINC000804615826 1205519308 /nfs/dbraw/zinc/51/93/08/1205519308.db2.gz CADOQMHYRIVXJZ-HDICACEKSA-N 0 3 392.460 0.352 20 30 GCEDHN C=CCOCCN[C@@H]1CN(C(=O)[C@H]2OCC[C@H]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129856137 1205521151 /nfs/dbraw/zinc/52/11/51/1205521151.db2.gz YCKXSYWGIICCJR-MHORFTMASA-N 0 3 377.489 0.883 20 30 GCEDHN CC[C@@H]1C[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC#CCOC)[n-]1 ZINC001130237894 1205539121 /nfs/dbraw/zinc/53/91/21/1205539121.db2.gz ISFLAZXJUOIEHH-QXSJWSMHSA-N 0 3 375.473 0.579 20 30 GCEDHN C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCCO[C@H]2C(=C)C)[n-]1 ZINC001130242174 1205539394 /nfs/dbraw/zinc/53/93/94/1205539394.db2.gz KDRLRSFUBWNUKQ-OVWQWFNUSA-N 0 3 387.484 0.888 20 30 GCEDHN CN(C)CCN1c2ccccc2C(=NNc2nc3c(cnn3C)c(=O)[nH]2)C1=O ZINC000807973378 1205595242 /nfs/dbraw/zinc/59/52/42/1205595242.db2.gz QDDBCTBKEXFJSV-UHFFFAOYSA-N 0 3 380.412 0.793 20 30 GCEDHN C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)ccc1F ZINC000808157897 1205600630 /nfs/dbraw/zinc/60/06/30/1205600630.db2.gz RACTYSHUFHJGTH-LSDHHAIUSA-N 0 3 397.472 0.571 20 30 GCEDHN C#CCNC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001131564734 1205618518 /nfs/dbraw/zinc/61/85/18/1205618518.db2.gz SMVUEJPGKUDXDZ-JZGRTCEGSA-N 0 3 377.485 0.147 20 30 GCEDHN C#C[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1cccc(OC)c1)[C@@H]1CCCO1 ZINC000809308246 1205621648 /nfs/dbraw/zinc/62/16/48/1205621648.db2.gz GWJSCSVDIQYQGL-OALUTQOASA-N 0 3 387.480 0.882 20 30 GCEDHN NS(=O)(=O)c1ccc2c(c1)[C@H](NCCNC(=O)C1N=CC=CC1=O)CCC2 ZINC000810225566 1205635154 /nfs/dbraw/zinc/63/51/54/1205635154.db2.gz HLIOWMAGDWHWEH-ZDBRSUKYSA-N 0 3 390.465 0.827 20 30 GCEDHN C[C@H](CC(=O)N1CC(N[C@@H]2CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001179008834 1205799436 /nfs/dbraw/zinc/79/94/36/1205799436.db2.gz SQIMXOBJSDTVRQ-CHWSQXEVSA-N 0 3 392.481 0.093 20 30 GCEDHN C=CCC1(S(=O)(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)CC1 ZINC001190784338 1206046861 /nfs/dbraw/zinc/04/68/61/1206046861.db2.gz SHKJCBLTTZPEEN-UHFFFAOYSA-N 0 3 398.573 0.595 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573284927 946763365 /nfs/dbraw/zinc/76/33/65/946763365.db2.gz AMNCBDFXVYARGX-HNNXBMFYSA-N 0 3 387.513 0.964 20 30 GCEDHN C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573284927 946763372 /nfs/dbraw/zinc/76/33/72/946763372.db2.gz AMNCBDFXVYARGX-HNNXBMFYSA-N 0 3 387.513 0.964 20 30 GCEDHN C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573285769 946787069 /nfs/dbraw/zinc/78/70/69/946787069.db2.gz NCXNDRSWMYOXOW-LBPRGKRZSA-N 0 3 386.460 0.021 20 30 GCEDHN C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573285769 946787073 /nfs/dbraw/zinc/78/70/73/946787073.db2.gz NCXNDRSWMYOXOW-LBPRGKRZSA-N 0 3 386.460 0.021 20 30 GCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573285993 946792956 /nfs/dbraw/zinc/79/29/56/946792956.db2.gz QXIFRYKSDQHXGB-ZIAGYGMSSA-N 0 3 386.431 0.982 20 30 GCEDHN C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573285993 946792966 /nfs/dbraw/zinc/79/29/66/946792966.db2.gz QXIFRYKSDQHXGB-ZIAGYGMSSA-N 0 3 386.431 0.982 20 30 GCEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561828 946966712 /nfs/dbraw/zinc/96/67/12/946966712.db2.gz NRLHQOXMYTYUJC-YPMHNXCESA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@@H+](C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573561828 946966727 /nfs/dbraw/zinc/96/67/27/946966727.db2.gz NRLHQOXMYTYUJC-YPMHNXCESA-N 0 3 375.408 0.417 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573565196 947002986 /nfs/dbraw/zinc/00/29/86/947002986.db2.gz ONPKKFWZPZIFFW-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@@H](C#N)C(=O)N1CCC([N@@H+](CCO)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573565196 947002996 /nfs/dbraw/zinc/00/29/96/947002996.db2.gz ONPKKFWZPZIFFW-AWEZNQCLSA-N 0 3 383.456 0.812 20 30 GCEDHN C[C@H](C#N)C(=O)N1CCN([C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001573571063 947099483 /nfs/dbraw/zinc/09/94/83/947099483.db2.gz YDZRZZRIJQBBDS-KGLIPLIRSA-N 0 3 381.444 0.144 20 30 GCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001573573482 947121899 /nfs/dbraw/zinc/12/18/99/947121899.db2.gz OATSNDUJUHALAH-GFCCVEGCSA-N 0 3 387.419 0.920 20 30 GCEDHN C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001573573482 947121908 /nfs/dbraw/zinc/12/19/08/947121908.db2.gz OATSNDUJUHALAH-GFCCVEGCSA-N 0 3 387.419 0.920 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001573350271 947593782 /nfs/dbraw/zinc/59/37/82/947593782.db2.gz BRYISRIWQQFQEX-OAHLLOKOSA-N 0 3 381.444 0.942 20 30 GCEDHN C=CCn1cc(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001573350271 947593792 /nfs/dbraw/zinc/59/37/92/947593792.db2.gz BRYISRIWQQFQEX-OAHLLOKOSA-N 0 3 381.444 0.942 20 30 GCEDHN C[NH+]1CCC(N2CCC(NC(=O)N3CCC(C#N)(C(=O)[O-])CC3)CC2)CC1 ZINC001598586778 993395043 /nfs/dbraw/zinc/39/50/43/993395043.db2.gz WGGCAQDVMVAWSM-UHFFFAOYSA-N 0 3 377.489 0.945 20 30 GCEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1 ZINC000588288960 530342233 /nfs/dbraw/zinc/34/22/33/530342233.db2.gz PZMZITRGHKFFLP-NWDGAFQWSA-N 0 3 385.467 0.929 20 30 GCEDHN N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572135754 530510348 /nfs/dbraw/zinc/51/03/48/530510348.db2.gz KWZJRVXTLGSMDV-BXKDBHETSA-N 0 3 399.270 0.253 20 30 GCEDHN CN(C)[C@]1(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000328691314 530517542 /nfs/dbraw/zinc/51/75/42/530517542.db2.gz REXCMPMTMPWDSX-HNNXBMFYSA-N 0 3 378.564 0.599 20 30 GCEDHN COCCN1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1 ZINC000331310550 530544941 /nfs/dbraw/zinc/54/49/41/530544941.db2.gz YUZMUPBYIDNDJU-HNNXBMFYSA-N 0 3 376.523 0.413 20 30 GCEDHN CC(C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 ZINC000568244442 530555182 /nfs/dbraw/zinc/55/51/82/530555182.db2.gz LXDBMRGKLFDWGX-UHFFFAOYSA-N 0 3 388.515 0.449 20 30 GCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000293527861 530566792 /nfs/dbraw/zinc/56/67/92/530566792.db2.gz ZQBVGJFRAYQTLM-UHFFFAOYSA-N 0 3 383.246 0.158 20 30 GCEDHN C#CCN(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 ZINC000293701467 530567589 /nfs/dbraw/zinc/56/75/89/530567589.db2.gz CVICJKWOYWWDSF-UHFFFAOYSA-N 0 3 387.527 0.608 20 30 GCEDHN CC(C)N(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 ZINC000520610493 530615132 /nfs/dbraw/zinc/61/51/32/530615132.db2.gz ZVVJISXMPAOWOV-ZDUSSCGKSA-N 0 3 388.515 0.495 20 30 GCEDHN CN(C)[C@]1(CNC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000329975095 530623414 /nfs/dbraw/zinc/62/34/14/530623414.db2.gz ZNUFCHUABWIZRD-HNNXBMFYSA-N 0 3 378.564 0.694 20 30 GCEDHN C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]CC#N)C1 ZINC000349444541 530636077 /nfs/dbraw/zinc/63/60/77/530636077.db2.gz AIEQAJNXJKCFCR-ZDUSSCGKSA-N 0 3 386.499 0.061 20 30 GCEDHN CCN(CC#N)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000349475605 530646751 /nfs/dbraw/zinc/64/67/51/530646751.db2.gz NJYCSOBANZMDNP-CABCVRRESA-N 0 3 392.547 0.050 20 30 GCEDHN C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2)[C@H]1C ZINC000349487404 530652902 /nfs/dbraw/zinc/65/29/02/530652902.db2.gz XMIAYBOAFSSOPS-ZNMIVQPWSA-N 0 3 392.547 0.096 20 30 GCEDHN C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H](N2CCCC2)C1 ZINC000349518177 530670088 /nfs/dbraw/zinc/67/00/88/530670088.db2.gz GPFSOHLKXKMADZ-GJZGRUSLSA-N 0 3 392.547 0.050 20 30 GCEDHN C=C(C)CN1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000502186015 530873451 /nfs/dbraw/zinc/87/34/51/530873451.db2.gz GGVKMGBDUGZDQV-UHFFFAOYSA-N 0 3 390.575 0.705 20 30 GCEDHN CS(=O)(=O)C1(C(=O)N2CCN(c3ccsc3C#N)CC2)CCNCC1 ZINC000595257128 530897825 /nfs/dbraw/zinc/89/78/25/530897825.db2.gz QPSNOJUVMDQUSV-UHFFFAOYSA-N 0 3 382.511 0.435 20 30 GCEDHN C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c(CC)c2Br)CC1 ZINC000279236110 531009706 /nfs/dbraw/zinc/00/97/06/531009706.db2.gz NMHGOYYENCSUPJ-UHFFFAOYSA-N 0 3 396.289 0.632 20 30 GCEDHN C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826077096 608021381 /nfs/dbraw/zinc/02/13/81/608021381.db2.gz ADFWLEPUXVCEDF-UHFFFAOYSA-N 0 3 381.400 0.631 20 30 GCEDHN C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825937968 608035751 /nfs/dbraw/zinc/03/57/51/608035751.db2.gz LSAGGWZHSPUZQT-CYBMUJFWSA-N 0 3 397.443 0.348 20 30 GCEDHN C[N@@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825937968 608035752 /nfs/dbraw/zinc/03/57/52/608035752.db2.gz LSAGGWZHSPUZQT-CYBMUJFWSA-N 0 3 397.443 0.348 20 30 GCEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=S)NCCNS(C)(=O)=O ZINC000727083426 638737344 /nfs/dbraw/zinc/73/73/44/638737344.db2.gz BALNVBAFPVWAIV-UHFFFAOYSA-N 0 3 383.543 0.346 20 30 GCEDHN N#CC(C(=O)COc1ccc(F)c(Cl)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911115 639815100 /nfs/dbraw/zinc/81/51/00/639815100.db2.gz XBLDKKAOKMEMCL-NSHDSACASA-N 0 3 388.804 0.824 20 30 GCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC000815861620 641834888 /nfs/dbraw/zinc/83/48/88/641834888.db2.gz QTPPZAZYEYBMGW-UHFFFAOYSA-N 0 3 385.873 0.753 20 30 GCEDHN C#CCN(C)CCCNC(=O)C(=O)Nc1ccc(Br)nc1OC ZINC000815861354 641835087 /nfs/dbraw/zinc/83/50/87/641835087.db2.gz DOSPCFMLJBSOLP-UHFFFAOYSA-N 0 3 383.246 0.863 20 30 GCEDHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 ZINC000830473531 642139678 /nfs/dbraw/zinc/13/96/78/642139678.db2.gz GGEDJRSVKGVZQH-VXGBXAGGSA-N 0 3 383.392 0.872 20 30 GCEDHN C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000836213190 642246091 /nfs/dbraw/zinc/24/60/91/642246091.db2.gz KXVWPOUHYOLZSO-UHFFFAOYSA-N 0 3 386.905 0.873 20 30 GCEDHN C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652457219 1192226502 /nfs/dbraw/zinc/22/65/02/1192226502.db2.gz TWCQHBCPHNSBCC-UHFFFAOYSA-N 0 3 386.496 0.824 20 30 GCEDHN 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CCS(=O)(=O)N1CCC(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000328816372 1195666627 /nfs/dbraw/zinc/66/66/27/1195666627.db2.gz OPXRJPYREUAMNC-OAHLLOKOSA-N 0 3 389.566 0.188 20 30 GCEDHN CS[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H]1N(C)C ZINC000330660648 1195699412 /nfs/dbraw/zinc/69/94/12/1195699412.db2.gz QVGMGSMNCHANMP-HUUCEWRRSA-N 0 3 396.538 0.915 20 30 GCEDHN CS[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@H]1N(C)C ZINC000330660649 1195699606 /nfs/dbraw/zinc/69/96/06/1195699606.db2.gz QVGMGSMNCHANMP-LSDHHAIUSA-N 0 3 396.538 0.915 20 30 GCEDHN C=CCNS(=O)(=O)c1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000071804704 1195739684 /nfs/dbraw/zinc/73/96/84/1195739684.db2.gz GDCWCMBWRZELJT-UHFFFAOYSA-N 0 3 380.514 0.518 20 30 GCEDHN CCO[C@@H]1C[C@@](CO)(NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C ZINC000189960375 1195754698 /nfs/dbraw/zinc/75/46/98/1195754698.db2.gz KLJGWCVAKKUORM-QKLQHJQFSA-N 0 3 380.533 0.834 20 30 GCEDHN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000443085720 1196018772 /nfs/dbraw/zinc/01/87/72/1196018772.db2.gz LSPNKPOFNNJQEC-GFCCVEGCSA-N 0 3 395.441 0.332 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550580656 1196093050 /nfs/dbraw/zinc/09/30/50/1196093050.db2.gz IPTSYSDWWGQWOY-HZPDHXFCSA-N 0 3 380.533 0.757 20 30 GCEDHN O=C(CN1CCCC1)N1CCN(C(=O)NCCC(=O)N2CCCCCC2)CC1 ZINC000329163339 1196170632 /nfs/dbraw/zinc/17/06/32/1196170632.db2.gz GGXXLPFNPSSNRU-UHFFFAOYSA-N 0 3 393.532 0.933 20 30 GCEDHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC000329253389 1196180466 /nfs/dbraw/zinc/18/04/66/1196180466.db2.gz ZDGFAMAIUMQHNT-CVEARBPZSA-N 0 3 389.566 0.140 20 30 GCEDHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNC(=O)c2cccs2)CC1 ZINC000329336068 1196186242 /nfs/dbraw/zinc/18/62/42/1196186242.db2.gz XZBLQPWPKFIBEZ-AWEZNQCLSA-N 0 3 393.513 0.630 20 30 GCEDHN CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(CC3CCOCC3)CC2)C1 ZINC000329679095 1196219549 /nfs/dbraw/zinc/21/95/49/1196219549.db2.gz QRDWCFUFWYNIHM-MRXNPFEDSA-N 0 3 388.534 0.369 20 30 GCEDHN CC(C)N1CCO[C@H](CN2CCN(C([O-])=[NH+][C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864041 1196234791 /nfs/dbraw/zinc/23/47/91/1196234791.db2.gz SKAFCXYISWCLKQ-ZWKOTPCHSA-N 0 3 390.532 0.908 20 30 GCEDHN CC(C)N1CCO[C@H](CN2CCN(C(=O)N[C@H]3CCc4c[nH]nc4C3)CC2)C1 ZINC000329864041 1196234793 /nfs/dbraw/zinc/23/47/93/1196234793.db2.gz SKAFCXYISWCLKQ-ZWKOTPCHSA-N 0 3 390.532 0.908 20 30 GCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000329991521 1196244612 /nfs/dbraw/zinc/24/46/12/1196244612.db2.gz WZQUICFUHIEOSB-VQIMIIECSA-N 0 3 378.521 0.908 20 30 GCEDHN CC(=O)N1CCC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000329991386 1196244628 /nfs/dbraw/zinc/24/46/28/1196244628.db2.gz JVVLJZBZBUHKOU-SJORKVTESA-N 0 3 379.505 0.397 20 30 GCEDHN O=C(CN1CCN(C2CCCCC2)CC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000330135967 1196255489 /nfs/dbraw/zinc/25/54/89/1196255489.db2.gz TUNAPHQOVVVXGS-CQSZACIVSA-N 0 3 386.518 0.994 20 30 GCEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CCN(c2cccnn2)CC1 ZINC000330264542 1196262320 /nfs/dbraw/zinc/26/23/20/1196262320.db2.gz YBMFNPCKYAVKLO-MRXNPFEDSA-N 0 3 375.521 0.975 20 30 GCEDHN C=CCN1CC[C@@H](N(C)CC2(CN(C)[C@H]3CCN(CC=C)C3=O)COC2)C1=O ZINC000281476021 1196298825 /nfs/dbraw/zinc/29/88/25/1196298825.db2.gz WFIJJVKTCBLOSA-HDICACEKSA-N 0 3 390.528 0.440 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3OCCO[C@H]3C)[C@@H]2CC)CC1 ZINC000984993322 1196308920 /nfs/dbraw/zinc/30/89/20/1196308920.db2.gz XFBAKNLCCKVXOR-KANFNMMFSA-N 0 3 391.512 0.631 20 30 GCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000281667142 1196319870 /nfs/dbraw/zinc/31/98/70/1196319870.db2.gz CWSJOHGUABAJOR-UHFFFAOYSA-N 0 3 394.541 0.907 20 30 GCEDHN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H]2CCN(CCN3CCNC3=O)C[C@H]2C1 ZINC001088136998 1196375273 /nfs/dbraw/zinc/37/52/73/1196375273.db2.gz SIRBWEYLYAUNMM-OWSLCNJRSA-N 0 3 376.501 0.773 20 30 GCEDHN COCCN1CCC(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 ZINC000530408496 1196985676 /nfs/dbraw/zinc/98/56/76/1196985676.db2.gz UXFNSCGTPZXTNL-UHFFFAOYSA-N 0 3 389.504 0.543 20 30 GCEDHN C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2CCCO)c1 ZINC000452355646 1197054091 /nfs/dbraw/zinc/05/40/91/1197054091.db2.gz YIEOMIJGNWZJFJ-MRXNPFEDSA-N 0 3 381.498 0.728 20 30 GCEDHN CN(CC(=O)N[C@H]1CCCN(CCCO)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000452374423 1197057660 /nfs/dbraw/zinc/05/76/60/1197057660.db2.gz JPPSJNRTEIPCPN-INIZCTEOSA-N 0 3 394.497 0.142 20 30 GCEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000453664538 1197118649 /nfs/dbraw/zinc/11/86/49/1197118649.db2.gz DCERNNLOFKWEBO-KRWDZBQOSA-N 0 3 383.452 0.570 20 30 GCEDHN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)C1=O ZINC000428554176 1197275233 /nfs/dbraw/zinc/27/52/33/1197275233.db2.gz RBUYYQCGVMSWIC-OAHLLOKOSA-N 0 3 386.408 0.169 20 30 GCEDHN COC1CCN(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000610811497 1197289198 /nfs/dbraw/zinc/28/91/98/1197289198.db2.gz JLGSCVMLVPJMGV-CQSZACIVSA-N 0 3 394.497 0.452 20 30 GCEDHN N#Cc1ccc(-c2noc([C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)n2)nc1 ZINC001212000521 1197470003 /nfs/dbraw/zinc/47/00/03/1197470003.db2.gz KYCWCRNVNBXRFC-HOCLYGCPSA-N 0 3 394.391 0.428 20 30 GCEDHN C=CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262008145 1197522273 /nfs/dbraw/zinc/52/22/73/1197522273.db2.gz FFQCAUURBMIISZ-KSSFIOAISA-N 0 3 385.472 0.837 20 30 GCEDHN C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c(F)c1 ZINC000271783874 1197559114 /nfs/dbraw/zinc/55/91/14/1197559114.db2.gz LFLVOLNRHNVDQI-ZDUSSCGKSA-N 0 3 378.423 0.884 20 30 GCEDHN C=CCN1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672355181 1199216931 /nfs/dbraw/zinc/21/69/31/1199216931.db2.gz RVWJNAXZDFJRKE-INIZCTEOSA-N 0 3 399.495 0.247 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001003363723 1199510772 /nfs/dbraw/zinc/51/07/72/1199510772.db2.gz SRMBRIVFDWIKKQ-QRVBRYPASA-N 0 3 382.464 0.527 20 30 GCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccnc(C)n2)CC1 ZINC001003365861 1199514261 /nfs/dbraw/zinc/51/42/61/1199514261.db2.gz QDEKOYJSVIYQHX-QRQLOZEOSA-N 0 3 381.480 0.992 20 30 GCEDHN CN(CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000329430737 1199841452 /nfs/dbraw/zinc/84/14/52/1199841452.db2.gz KFKKBBVBUXCLRF-RDJZCZTQSA-N 0 3 376.482 0.731 20 30 GCEDHN C#CCN1CCC(C(=O)NCc2nn(C)cc2I)CC1 ZINC001129102025 1200464219 /nfs/dbraw/zinc/46/42/19/1200464219.db2.gz ZYGZXQFUTZXWKD-UHFFFAOYSA-N 0 3 386.237 0.986 20 30 GCEDHN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000460593204 1200967929 /nfs/dbraw/zinc/96/79/29/1200967929.db2.gz QXAGQIHYCBEAKK-UHFFFAOYSA-N 0 3 395.467 1.329 20 30 GCEDHN C[C@@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)N1CCC(C)CC1 ZINC000586827759 1201114410 /nfs/dbraw/zinc/11/44/10/1201114410.db2.gz BQQBXKZCJQTQIJ-AWEZNQCLSA-N 0 3 389.504 0.491 20 30 GCEDHN C=CCN1CC[C@@H](NCC2(O)CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)C1=O ZINC000946926932 1201194138 /nfs/dbraw/zinc/19/41/38/1201194138.db2.gz BEIGGPWBTNSPSK-VQHPVUNQSA-N 0 3 377.485 0.284 20 30 GCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)[C@H](OC)C1 ZINC001081977552 1201314708 /nfs/dbraw/zinc/31/47/08/1201314708.db2.gz JALIYXUHJTTWGD-AKHDSKFASA-N 0 3 381.517 0.648 20 30 GCEDHN N#C[C@@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCO1 ZINC000729987345 1201424362 /nfs/dbraw/zinc/42/43/62/1201424362.db2.gz YKNYPBAYGAJCMB-YLJYHZDGSA-N 0 3 383.452 0.755 20 30 GCEDHN CCNc1nc(N=NC2CCN(CCN3CCOCC3)CC2)nc(NCC)n1 ZINC000731557437 1201488334 /nfs/dbraw/zinc/48/83/34/1201488334.db2.gz MMHIVEUQQPRWSE-UHFFFAOYSA-N 0 3 391.524 0.931 20 30 GCEDHN CN(C)[C@H](CNC(=O)NCCNC(=O)C1N=CC=CC1=O)Cc1ccccc1 ZINC000732439435 1201543056 /nfs/dbraw/zinc/54/30/56/1201543056.db2.gz KPVGPGLVOPDAMX-NXDJFEHLSA-N 0 3 385.468 0.985 20 30 GCEDHN N#CC(C(=O)CCCNC(=O)c1ccsc1)C(=O)N1CCS(=O)(=O)CC1 ZINC000732908438 1201567026 /nfs/dbraw/zinc/56/70/26/1201567026.db2.gz LGJMIHZMDGJAJZ-CYBMUJFWSA-N 0 3 397.478 0.224 20 30 GCEDHN N#CC(C(=O)CCCOc1ccccc1F)C(=O)N1CCS(=O)(=O)CC1 ZINC000732910109 1201569505 /nfs/dbraw/zinc/56/95/05/1201569505.db2.gz MGUPUGWJGJAIGK-ZDUSSCGKSA-N 0 3 382.413 0.951 20 30 GCEDHN N#CC(C(=O)COc1ccc2c(c1)CCC2)C(=O)N1CCS(=O)(=O)CC1 ZINC000732911123 1201569969 /nfs/dbraw/zinc/56/99/69/1201569969.db2.gz XFNQDUGIVCAEJO-MRXNPFEDSA-N 0 3 376.434 0.520 20 30 GCEDHN CN1CCC2(CC1)NC(=O)N(CN1CCN(Cc3ccccc3)[C@@H](C#N)C1)C2=O ZINC000733994720 1201636426 /nfs/dbraw/zinc/63/64/26/1201636426.db2.gz UHRAPTFTAWFOQM-SFHVURJKSA-N 0 3 396.495 0.670 20 30 GCEDHN C#CCSCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000740518285 1201748466 /nfs/dbraw/zinc/74/84/66/1201748466.db2.gz CYGULBNIJBRCKU-UHFFFAOYSA-N 0 3 390.465 0.577 20 30 GCEDHN C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000743911945 1201826071 /nfs/dbraw/zinc/82/60/71/1201826071.db2.gz OVRNGQYQSLWRDB-UHFFFAOYSA-N 0 3 390.459 0.920 20 30 GCEDHN CC(C)NC(=O)C(C#N)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000744033523 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