smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN(C2CCCC2)CC1 ZINC001165033596 721863075 /nfs/dbraw/zinc/86/30/75/721863075.db2.gz RQVHTXRJEBIGJI-UHFFFAOYSA-N 0 3 376.838 4.103 20 30 GIEDHN COc1cccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000175945068 823078868 /nfs/dbraw/zinc/07/88/68/823078868.db2.gz NHPAYJNVKNSTCS-WBMJQRKESA-N 0 3 388.826 4.329 20 30 GIEDHN C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000458779642 823084655 /nfs/dbraw/zinc/08/46/55/823084655.db2.gz RQENMLBOQOGAPB-YUXAGFNASA-N 0 3 378.520 4.412 20 30 GIEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000458843487 823096584 /nfs/dbraw/zinc/09/65/84/823096584.db2.gz PPAANHOJZAJJDG-FCHUYYIVSA-N 0 3 394.519 4.032 20 30 GIEDHN C=CCCCN(C)CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000121079424 823114628 /nfs/dbraw/zinc/11/46/28/823114628.db2.gz OAEAJEASYVBVLA-LJQANCHMSA-N 0 3 393.531 4.356 20 30 GIEDHN Cc1oc(-c2ccccc2F)nc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000121686270 823230501 /nfs/dbraw/zinc/23/05/01/823230501.db2.gz IMKQPCMVZIYXGF-INIZCTEOSA-N 0 3 377.375 4.059 20 30 GIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1 ZINC000121709787 823235167 /nfs/dbraw/zinc/23/51/67/823235167.db2.gz RQMFBZQTQXIYOC-KRWDZBQOSA-N 0 3 391.402 4.313 20 30 GIEDHN N#Cc1ccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)o1 ZINC000459762706 823261882 /nfs/dbraw/zinc/26/18/82/823261882.db2.gz VKWHGCQRCAVQAH-XZOQPEGZSA-N 0 3 375.447 4.048 20 30 GIEDHN C[C@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177159957 823386923 /nfs/dbraw/zinc/38/69/23/823386923.db2.gz VKLLNFPLQVRATQ-LPHOPBHVSA-N 0 3 391.540 4.206 20 30 GIEDHN CCOc1ccc([C@@H](NCC(=O)Nc2cccc(C#N)c2)C(C)C)cc1OCC ZINC000027379443 820235435 /nfs/dbraw/zinc/23/54/35/820235435.db2.gz ROCQSGWQWFDYLQ-QHCPKHFHSA-N 0 3 395.503 4.281 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000058989434 823479957 /nfs/dbraw/zinc/47/99/57/823479957.db2.gz JKXXOROQORMLDB-UHFFFAOYSA-N 0 3 394.277 4.208 20 30 GIEDHN C[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101878 820742408 /nfs/dbraw/zinc/74/24/08/820742408.db2.gz JFXXTRNDRKYFMC-PXNSSMCTSA-N 0 3 396.560 4.453 20 30 GIEDHN Cc1ccc(C(=O)N[C@H](C(=O)C(C#N)c2nc(C(C)C)cs2)C(C)C)cc1 ZINC000177743553 823519382 /nfs/dbraw/zinc/51/93/82/823519382.db2.gz GDKGDFZTURFNHY-WMZOPIPTSA-N 0 3 383.517 4.206 20 30 GIEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000177771546 823523713 /nfs/dbraw/zinc/52/37/13/823523713.db2.gz FJMXJUSQRGTBNT-UXHICEINSA-N 0 3 391.540 4.408 20 30 GIEDHN N#Cc1cccc(NC(=O)CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000060482678 823533078 /nfs/dbraw/zinc/53/30/78/823533078.db2.gz IKGNSJGVWKRDEX-UHFFFAOYSA-N 0 3 395.890 4.135 20 30 GIEDHN N#CC(C(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)cs1 ZINC000041534540 821206160 /nfs/dbraw/zinc/20/61/60/821206160.db2.gz DVIZYAODQAKUIK-MRXNPFEDSA-N 0 3 376.437 4.461 20 30 GIEDHN COc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1Br ZINC000041540409 821206563 /nfs/dbraw/zinc/20/65/63/821206563.db2.gz PFBDCXULVJSNDH-CYBMUJFWSA-N 0 3 399.244 4.408 20 30 GIEDHN N#CC(C(=O)c1cncc(Br)c1)c1nc2ccccc2n1C(F)F ZINC000041558882 821210451 /nfs/dbraw/zinc/21/04/51/821210451.db2.gz JWYNGANULYJSGJ-NSHDSACASA-N 0 3 391.175 4.079 20 30 GIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000043231068 821377743 /nfs/dbraw/zinc/37/77/43/821377743.db2.gz CNYGRMLXWNQCEM-HXUWFJFHSA-N 0 3 396.560 4.378 20 30 GIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000181213141 821700309 /nfs/dbraw/zinc/70/03/09/821700309.db2.gz UOOFIVWBRDQLDE-QGZVFWFLSA-N 0 3 388.433 4.244 20 30 GIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000181213123 821700321 /nfs/dbraw/zinc/70/03/21/821700321.db2.gz UOOFIVWBRDQLDE-KRWDZBQOSA-N 0 3 388.433 4.244 20 30 GIEDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000181574313 821885463 /nfs/dbraw/zinc/88/54/63/821885463.db2.gz JOEBTLLIRNUDMF-APWZRJJASA-N 0 3 381.476 4.056 20 30 GIEDHN Cn1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)c(-c2ccccc2)n1 ZINC000181824262 822007801 /nfs/dbraw/zinc/00/78/01/822007801.db2.gz CMLHWWCPZXAULV-UHFFFAOYSA-N 0 3 396.498 4.154 20 30 GIEDHN C=CCN1CCC(NC(=O)N2CCC(F)(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000454535108 822492824 /nfs/dbraw/zinc/49/28/24/822492824.db2.gz FJHLCNPLFYUHGM-UHFFFAOYSA-N 0 3 393.934 4.047 20 30 GIEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2n1 ZINC000179616381 822513554 /nfs/dbraw/zinc/51/35/54/822513554.db2.gz KHMVLAHBLIDOAH-LLVKDONJSA-N 0 3 388.210 4.404 20 30 GIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000179961179 822586042 /nfs/dbraw/zinc/58/60/42/822586042.db2.gz ONCZYGZEJVOASU-HEHGZKQESA-N 0 3 398.488 4.332 20 30 GIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000179961126 822586074 /nfs/dbraw/zinc/58/60/74/822586074.db2.gz ONCZYGZEJVOASU-ZENOOKHLSA-N 0 3 398.488 4.332 20 30 GIEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000179982067 822590123 /nfs/dbraw/zinc/59/01/23/822590123.db2.gz ATTCLOCKYGGJLI-INIZCTEOSA-N 0 3 392.242 4.137 20 30 GIEDHN CN1CC[C@H](NC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000180113180 822617943 /nfs/dbraw/zinc/61/79/43/822617943.db2.gz XKHFPKZJXFNZGJ-ZEQRLZLVSA-N 0 3 381.479 4.400 20 30 GIEDHN Cn1cc(CN2CCC(OCC3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180231663 822644671 /nfs/dbraw/zinc/64/46/71/822644671.db2.gz HJHYHAHECQFEOB-UHFFFAOYSA-N 0 3 378.520 4.130 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)CC1 ZINC000180293639 822657693 /nfs/dbraw/zinc/65/76/93/822657693.db2.gz ZIBSESYOPNAQAK-UHFFFAOYSA-N 0 3 391.475 4.052 20 30 GIEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)c1ccc(OCC#N)cc1 ZINC000180542965 822699090 /nfs/dbraw/zinc/69/90/90/822699090.db2.gz VWLBYMQCICDQIH-JKSUJKDBSA-N 0 3 378.476 4.285 20 30 GIEDHN C=CCN(Cc1ccccc1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184884059 822706741 /nfs/dbraw/zinc/70/67/41/822706741.db2.gz AKJNPOQIEFKLBW-UHFFFAOYSA-N 0 3 378.520 4.049 20 30 GIEDHN CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000455706818 822708478 /nfs/dbraw/zinc/70/84/78/822708478.db2.gz QTUVKKOUBGKUKK-GOSISDBHSA-N 0 3 382.895 4.144 20 30 GIEDHN CCN1CCCN(C(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000455951462 822756865 /nfs/dbraw/zinc/75/68/65/822756865.db2.gz ZRDHQWHCYVVQAC-UHFFFAOYSA-N 0 3 380.517 4.269 20 30 GIEDHN CC(=O)N1CC[C@H](NCc2cccc(OCCCC#N)c2)c2ccc(F)cc2C1 ZINC000185355525 822770326 /nfs/dbraw/zinc/77/03/26/822770326.db2.gz MRBUIGOQJNWKDQ-QHCPKHFHSA-N 0 3 395.478 4.091 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174366471 822778661 /nfs/dbraw/zinc/77/86/61/822778661.db2.gz YPDFPYSDVOLUQQ-QZTJIDSGSA-N 0 3 394.544 4.188 20 30 GIEDHN N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386112 822914363 /nfs/dbraw/zinc/91/43/63/822914363.db2.gz SFWPLMSDJCADNE-FGZHOGPDSA-N 0 3 384.483 4.202 20 30 GIEDHN C=CC[C@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1 ZINC000190223664 823552490 /nfs/dbraw/zinc/55/24/90/823552490.db2.gz FMKNBHBRBSZXHE-QHCPKHFHSA-N 0 3 378.516 4.189 20 30 GIEDHN COc1ccc(NC(=O)C2(NCCC3(C#N)CCCCC3)CCCC2)cc1OC ZINC000411384039 823568250 /nfs/dbraw/zinc/56/82/50/823568250.db2.gz FLHXCYYPGCAQOX-UHFFFAOYSA-N 0 3 399.535 4.409 20 30 GIEDHN C[C@H](c1cccnc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411413258 823571396 /nfs/dbraw/zinc/57/13/96/823571396.db2.gz CVIUZFHIRPHMHK-HUUCEWRRSA-N 0 3 382.533 4.161 20 30 GIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(Cc3ccccn3)C3CC3)sc2C1 ZINC000411456837 823576810 /nfs/dbraw/zinc/57/68/10/823576810.db2.gz ZVVBGSMULKSNTK-OAHLLOKOSA-N 0 3 394.544 4.133 20 30 GIEDHN C=CCOc1cccc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c1 ZINC000061193078 823583406 /nfs/dbraw/zinc/58/34/06/823583406.db2.gz AVIZVZVKWFOTAT-UHFFFAOYSA-N 0 3 379.504 4.034 20 30 GIEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630539 823593583 /nfs/dbraw/zinc/59/35/83/823593583.db2.gz RCRDISLZIPJBHI-KOSHJBKYSA-N 0 3 396.494 4.072 20 30 GIEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630519 823593591 /nfs/dbraw/zinc/59/35/91/823593591.db2.gz RCRDISLZIPJBHI-UUOWRZLLSA-N 0 3 396.494 4.072 20 30 GIEDHN N#Cc1ccc(CNCc2ccc(Br)c(Br)c2)cc1 ZINC000124523968 823603348 /nfs/dbraw/zinc/60/33/48/823603348.db2.gz WSNYUIWNXBAUJV-UHFFFAOYSA-N 0 3 380.083 4.373 20 30 GIEDHN CCOc1c(Cl)cc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1OC ZINC000190896247 823621140 /nfs/dbraw/zinc/62/11/40/823621140.db2.gz BYKQJOCQGMUQTI-ZDUSSCGKSA-N 0 3 381.819 4.181 20 30 GIEDHN CC(C)COc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000125496753 823680834 /nfs/dbraw/zinc/68/08/34/823680834.db2.gz SZIASBGLSUCVSR-UHFFFAOYSA-N 0 3 394.519 4.189 20 30 GIEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000125572475 823686486 /nfs/dbraw/zinc/68/64/86/823686486.db2.gz TYBJLDJYCOZGFV-OAHLLOKOSA-N 0 3 391.254 4.248 20 30 GIEDHN Cc1noc(C2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000191459858 823687636 /nfs/dbraw/zinc/68/76/36/823687636.db2.gz JJCFWRKIXSQTSU-UHFFFAOYSA-N 0 3 386.499 4.457 20 30 GIEDHN C=CCc1cccc(C(C)C)c1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000191465792 823688306 /nfs/dbraw/zinc/68/83/06/823688306.db2.gz IJMGCUCPEMIFEP-UHFFFAOYSA-N 0 3 386.584 4.076 20 30 GIEDHN N#Cc1cccc(NC(=O)C2CCN(C/C=C/c3ccc(F)c(F)c3)CC2)c1 ZINC000574320662 823702257 /nfs/dbraw/zinc/70/22/57/823702257.db2.gz WKQUKPHOBGIESC-DUXPYHPUSA-N 0 3 381.426 4.200 20 30 GIEDHN COc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1OCCCC#N ZINC000064614111 823852726 /nfs/dbraw/zinc/85/27/26/823852726.db2.gz YFPDGCFEHDLPQM-MRXNPFEDSA-N 0 3 393.487 4.113 20 30 GIEDHN CC[C@@H](NCc1ccc(OC)c(OCCCC#N)c1)c1ccc2c(c1)OCCO2 ZINC000064614270 823853124 /nfs/dbraw/zinc/85/31/24/823853124.db2.gz IZJXBICKEUNELK-LJQANCHMSA-N 0 3 396.487 4.390 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cccc(OC(C)C)n2)cc1 ZINC000167803201 823895890 /nfs/dbraw/zinc/89/58/90/823895890.db2.gz PSVARHLZLIEKCT-GOSISDBHSA-N 0 3 379.460 4.173 20 30 GIEDHN N#CC1(c2ccccc2)CC(NCc2cccc(COC3CCOCC3)c2)C1 ZINC000126874948 823971784 /nfs/dbraw/zinc/97/17/84/823971784.db2.gz IGXPKMJNDVNPCN-UHFFFAOYSA-N 0 3 376.500 4.096 20 30 GIEDHN N#CC(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 ZINC000126972225 823992417 /nfs/dbraw/zinc/99/24/17/823992417.db2.gz JOHFVYSVBMZAFK-MRXNPFEDSA-N 0 3 389.282 4.341 20 30 GIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1ccnc(OC2CCOCC2)c1 ZINC000575909932 824026890 /nfs/dbraw/zinc/02/68/90/824026890.db2.gz IROUNUYHMPMJCQ-QFIPXVFZSA-N 0 3 377.488 4.068 20 30 GIEDHN C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@H](C)CN1 ZINC000414901647 824048117 /nfs/dbraw/zinc/04/81/17/824048117.db2.gz IXCXJIIYSUGOKH-CLCXKQKWSA-N 0 3 382.895 4.210 20 30 GIEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(COCC(F)(F)F)c2)cc1 ZINC000120861608 823078856 /nfs/dbraw/zinc/07/88/56/823078856.db2.gz FMEJYLNVGXFKSP-OAHLLOKOSA-N 0 3 378.394 4.346 20 30 GIEDHN CN(C)C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855425 823098134 /nfs/dbraw/zinc/09/81/34/823098134.db2.gz YBMINXQIJYLYHG-RTWAWAEBSA-N 0 3 382.483 4.163 20 30 GIEDHN C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)CCN1Cc1ccccc1 ZINC000176073594 823112851 /nfs/dbraw/zinc/11/28/51/823112851.db2.gz LKFVYEZZXWATFM-GOSISDBHSA-N 0 3 379.529 4.039 20 30 GIEDHN C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)CCN1Cc1ccccc1 ZINC000176073606 823112861 /nfs/dbraw/zinc/11/28/61/823112861.db2.gz LKFVYEZZXWATFM-SFHVURJKSA-N 0 3 379.529 4.039 20 30 GIEDHN C=CCC1(CNC(=O)N2CC[C@@H](CN(C)Cc3scnc3C)C2)CCCC1 ZINC000459094590 823127380 /nfs/dbraw/zinc/12/73/80/823127380.db2.gz HJGYJRQWDMQRLV-SFHVURJKSA-N 0 3 390.597 4.051 20 30 GIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccnc(OCc3ccccc3)c2)cc1 ZINC000121303031 823159280 /nfs/dbraw/zinc/15/92/80/823159280.db2.gz OCSZZLRCIKEKKV-NRFANRHFSA-N 0 3 399.450 4.184 20 30 GIEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCN1CCCCC1 ZINC000056578732 823174269 /nfs/dbraw/zinc/17/42/69/823174269.db2.gz TXFUABKCTWHZMF-UHFFFAOYSA-N 0 3 378.476 4.266 20 30 GIEDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000122291791 823333395 /nfs/dbraw/zinc/33/33/95/823333395.db2.gz JDLANOUZHAIFFP-BXUZGUMPSA-N 0 3 389.908 4.191 20 30 GIEDHN C=CCN1CCC(NC(=O)N[C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000460270104 823336007 /nfs/dbraw/zinc/33/60/07/823336007.db2.gz TVKLOGFDKVLTMW-GOSISDBHSA-N 0 3 382.335 4.394 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)CSCc1ccccc1 ZINC000122449177 823355937 /nfs/dbraw/zinc/35/59/37/823355937.db2.gz NJGWBVFJKFFAKL-SJLPKXTDSA-N 0 3 396.512 4.302 20 30 GIEDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CN1C1CC1 ZINC000177105184 823372790 /nfs/dbraw/zinc/37/27/90/823372790.db2.gz KHCSQRWRRIRYDY-WBVHZDCISA-N 0 3 377.513 4.064 20 30 GIEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](c2ccccc2)C(C)C)cc1 ZINC000029113072 820394836 /nfs/dbraw/zinc/39/48/36/820394836.db2.gz ZXXPDALDUUNWCE-HSZRJFAPSA-N 0 3 379.504 4.319 20 30 GIEDHN N#Cc1ccc2ncc(CNCc3ccc(OCc4cccc(F)c4)cc3)n2c1 ZINC000123219593 823480624 /nfs/dbraw/zinc/48/06/24/823480624.db2.gz JRZGJJFCYMHQAC-UHFFFAOYSA-N 0 3 386.430 4.214 20 30 GIEDHN N#Cc1ccc([C@@H](O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000123328647 823496988 /nfs/dbraw/zinc/49/69/88/823496988.db2.gz ORVUFABETUVWIR-IBGZPJMESA-N 0 3 381.863 4.266 20 30 GIEDHN Cc1cccc2nc(C3CCN(CCC(=O)Nc4sccc4C#N)CC3)oc21 ZINC000189811194 823499739 /nfs/dbraw/zinc/49/97/39/823499739.db2.gz CTPDEEYEAWNNAQ-UHFFFAOYSA-N 0 3 394.500 4.278 20 30 GIEDHN Cc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000060238694 823512780 /nfs/dbraw/zinc/51/27/80/823512780.db2.gz GUAPJCYFHJTSEM-QFIPXVFZSA-N 0 3 393.556 4.053 20 30 GIEDHN N#Cc1csc(CNC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000177705734 823514932 /nfs/dbraw/zinc/51/49/32/823514932.db2.gz GYGODWIIEHWATK-UHFFFAOYSA-N 0 3 377.307 4.178 20 30 GIEDHN Cc1ccc(C(=O)N[C@H](C(=O)C(C#N)c2nc(C(C)C)cs2)C(C)C)cc1 ZINC000177743527 823519396 /nfs/dbraw/zinc/51/93/96/823519396.db2.gz GDKGDFZTURFNHY-AEFFLSMTSA-N 0 3 383.517 4.206 20 30 GIEDHN N#CC(C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 ZINC000041493430 821197410 /nfs/dbraw/zinc/19/74/10/821197410.db2.gz OOPHUELPHHXGEL-FQEVSTJZSA-N 0 3 378.435 4.483 20 30 GIEDHN N#CC(C(=O)c1cncc(Br)c1)c1nc2ccccc2n1C(F)F ZINC000041558884 821210556 /nfs/dbraw/zinc/21/05/56/821210556.db2.gz JWYNGANULYJSGJ-LLVKDONJSA-N 0 3 391.175 4.079 20 30 GIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000043182202 821375324 /nfs/dbraw/zinc/37/53/24/821375324.db2.gz HNUSZKZPTFDDHH-MRXNPFEDSA-N 0 3 384.911 4.046 20 30 GIEDHN C[C@](C#N)(NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771791 821446093 /nfs/dbraw/zinc/44/60/93/821446093.db2.gz UMKGUNKIZZEINU-RBBKRZOGSA-N 0 3 381.907 4.022 20 30 GIEDHN N#CCCCOc1cccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180798018 821463890 /nfs/dbraw/zinc/46/38/90/821463890.db2.gz HNRNQFKXIOWRPC-KRWDZBQOSA-N 0 3 392.425 4.422 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810884 821472365 /nfs/dbraw/zinc/47/23/65/821472365.db2.gz SMIYDCOSMBKNJD-LPHOPBHVSA-N 0 3 396.487 4.388 20 30 GIEDHN N#CCCCOc1cccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)c1 ZINC000181120060 821645331 /nfs/dbraw/zinc/64/53/31/821645331.db2.gz ZOQVVFHUROTSSG-UHFFFAOYSA-N 0 3 392.425 4.422 20 30 GIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(COC3CCOCC3)cc2)cc1 ZINC000181612684 821903954 /nfs/dbraw/zinc/90/39/54/821903954.db2.gz JSJOIKNADDDHEB-LJQANCHMSA-N 0 3 379.500 4.245 20 30 GIEDHN CCC[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663354 821930626 /nfs/dbraw/zinc/93/06/26/821930626.db2.gz QKTXRKZJHPHHFM-JXFKEZNVSA-N 0 3 397.544 4.055 20 30 GIEDHN CC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805905 822000253 /nfs/dbraw/zinc/00/02/53/822000253.db2.gz ZTQUNYBFUCOKRP-UGSOOPFHSA-N 0 3 383.517 4.185 20 30 GIEDHN CC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805949 822000445 /nfs/dbraw/zinc/00/04/45/822000445.db2.gz ZTQUNYBFUCOKRP-ACJLOTCBSA-N 0 3 383.517 4.185 20 30 GIEDHN CC[C@@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845551 822015423 /nfs/dbraw/zinc/01/54/23/822015423.db2.gz JUSMSUDRXMHUIP-MDOVXXIYSA-N 0 3 379.460 4.110 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955933 822045258 /nfs/dbraw/zinc/04/52/58/822045258.db2.gz MKIOXXNJODGNCG-VQIMIIECSA-N 0 3 379.460 4.129 20 30 GIEDHN CC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000182515907 822277721 /nfs/dbraw/zinc/27/77/21/822277721.db2.gz SULYSIACWXRFRF-UHFFFAOYSA-N 0 3 398.894 4.010 20 30 GIEDHN CCN1CCN(c2ccc(N[C@H](C)c3ccc(OCC#N)cc3)c(C)c2)CC1 ZINC000182567048 822305990 /nfs/dbraw/zinc/30/59/90/822305990.db2.gz VJZRNAQLTPHBTQ-LJQANCHMSA-N 0 3 378.520 4.212 20 30 GIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccccc2CS(C)(=O)=O)cc1 ZINC000178302780 822365283 /nfs/dbraw/zinc/36/52/83/822365283.db2.gz MUOWXDGZVCEBJY-MRXNPFEDSA-N 0 3 393.936 4.213 20 30 GIEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000045405214 822385249 /nfs/dbraw/zinc/38/52/49/822385249.db2.gz KMKHLAQFYGUPOM-NRFANRHFSA-N 0 3 398.938 4.436 20 30 GIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000183111512 822425861 /nfs/dbraw/zinc/42/58/61/822425861.db2.gz CSDIYQPCNYVNQG-KOSHJBKYSA-N 0 3 396.494 4.466 20 30 GIEDHN Cc1cc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000046600853 822490563 /nfs/dbraw/zinc/49/05/63/822490563.db2.gz SDNUMHBEIQFCQO-MRXNPFEDSA-N 0 3 384.549 4.071 20 30 GIEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2n1 ZINC000179617409 822513782 /nfs/dbraw/zinc/51/37/82/822513782.db2.gz RMSVWBAVVDAOAF-CYBMUJFWSA-N 0 3 388.210 4.404 20 30 GIEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(OC(F)F)cc1 ZINC000179883429 822571140 /nfs/dbraw/zinc/57/11/40/822571140.db2.gz LJCWUEBYGFHSQM-UHFFFAOYSA-N 0 3 382.414 4.192 20 30 GIEDHN CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc(Br)cc1 ZINC000179884150 822571466 /nfs/dbraw/zinc/57/14/66/822571466.db2.gz FHRUHHNRAFFKCB-UHFFFAOYSA-N 0 3 395.304 4.353 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000179982724 822590310 /nfs/dbraw/zinc/59/03/10/822590310.db2.gz YTSYZWNZLONTJQ-FOIQADDNSA-N 0 3 379.460 4.343 20 30 GIEDHN CC[C@H]1Oc2cc([C@@H](C)NCc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028671 822600460 /nfs/dbraw/zinc/60/04/60/822600460.db2.gz XUNSOPCAXWMIJG-FOIQADDNSA-N 0 3 377.488 4.448 20 30 GIEDHN COc1cc(CNCc2ccc(-c3ccccc3C#N)cc2)cc2c1OCCO2 ZINC000180335872 822665414 /nfs/dbraw/zinc/66/54/14/822665414.db2.gz MRDJUQWCEJBCBT-UHFFFAOYSA-N 0 3 386.451 4.295 20 30 GIEDHN Cn1cc(CNCc2ccc(-c3ccccc3C#N)cc2)c(-c2cccnc2)n1 ZINC000180334965 822665433 /nfs/dbraw/zinc/66/54/33/822665433.db2.gz LIVHRPGPEIZDTO-UHFFFAOYSA-N 0 3 379.467 4.311 20 30 GIEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1 ZINC000184844308 822698960 /nfs/dbraw/zinc/69/89/60/822698960.db2.gz SOWRWTKTOMUVNH-NRFANRHFSA-N 0 3 381.545 4.189 20 30 GIEDHN CN(C)CCN(CCCc1ccccc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455707544 822708678 /nfs/dbraw/zinc/70/86/78/822708678.db2.gz RYVXFVCTXPMXNJ-UHFFFAOYSA-N 0 3 398.938 4.434 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455734243 822716748 /nfs/dbraw/zinc/71/67/48/822716748.db2.gz OPUFZKBDGCKBBE-QGZVFWFLSA-N 0 3 396.922 4.392 20 30 GIEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(CC#N)cc1Cl)c1ccc(Cl)cc1 ZINC000455735230 822716916 /nfs/dbraw/zinc/71/69/16/822716916.db2.gz QEBSKCSJGJTDBA-GOSISDBHSA-N 0 3 391.302 4.484 20 30 GIEDHN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174374829 822780335 /nfs/dbraw/zinc/78/03/35/822780335.db2.gz CCFGNHZKLRVNSI-GJZGRUSLSA-N 0 3 393.878 4.075 20 30 GIEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000185477565 822788653 /nfs/dbraw/zinc/78/86/53/822788653.db2.gz UNKIIWYIMBKRQL-RXVVDRJESA-N 0 3 394.519 4.256 20 30 GIEDHN COc1ccc(CN[C@@H](C)c2ccc(-n3cccn3)cc2)cc1OCCCC#N ZINC000174435821 822789776 /nfs/dbraw/zinc/78/97/76/822789776.db2.gz FSGAAQQSBJIFHV-SFHVURJKSA-N 0 3 390.487 4.414 20 30 GIEDHN C=CCC[C@@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083888 822850100 /nfs/dbraw/zinc/85/01/00/822850100.db2.gz ZKKIRHHXDUYHSU-JLTOFOAXSA-N 0 3 379.472 4.402 20 30 GIEDHN N#Cc1ccc(N2CCC[C@@H](N[C@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386111 822914381 /nfs/dbraw/zinc/91/43/81/822914381.db2.gz SFWPLMSDJCADNE-FCHUYYIVSA-N 0 3 384.483 4.202 20 30 GIEDHN CN(C)Cc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000055229245 822946913 /nfs/dbraw/zinc/94/69/13/822946913.db2.gz WTFKKKCKIZUOMK-UHFFFAOYSA-N 0 3 385.467 4.451 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000175588020 823002956 /nfs/dbraw/zinc/00/29/56/823002956.db2.gz ZIJIVOZPBCWZGT-UHFFFAOYSA-N 0 3 377.513 4.090 20 30 GIEDHN C=CCC[C@@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113145 823012412 /nfs/dbraw/zinc/01/24/12/823012412.db2.gz XTSNARLVILDONJ-AUSIDOKSSA-N 0 3 377.532 4.473 20 30 GIEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123853838 823546015 /nfs/dbraw/zinc/54/60/15/823546015.db2.gz QRLORAYWOIIZDM-CYBMUJFWSA-N 0 3 396.752 4.329 20 30 GIEDHN C[C@H]1CCCCN1CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000060669339 823551487 /nfs/dbraw/zinc/55/14/87/823551487.db2.gz VWENIMOFTZAZNG-SFHVURJKSA-N 0 3 393.556 4.455 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNC[C@H](O)c3c(F)cccc3F)c2)c1 ZINC000123978475 823557387 /nfs/dbraw/zinc/55/73/87/823557387.db2.gz DHUPTIZEMKABDH-QFIPXVFZSA-N 0 3 394.421 4.239 20 30 GIEDHN COc1ccc2cc([C@H](C)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606258 823590749 /nfs/dbraw/zinc/59/07/49/823590749.db2.gz VBROHRVGZPWOBR-XDHUDOTRSA-N 0 3 399.494 4.172 20 30 GIEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NCCC(=O)Nc1cccc(C#N)c1 ZINC000411652141 823594360 /nfs/dbraw/zinc/59/43/60/823594360.db2.gz YLBZRVHJGFOIQU-GOSISDBHSA-N 0 3 375.394 4.479 20 30 GIEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000411893832 823613662 /nfs/dbraw/zinc/61/36/62/823613662.db2.gz PLXSLICKDXJBIJ-OAQYLSRUSA-N 0 3 390.487 4.297 20 30 GIEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062375514 823630690 /nfs/dbraw/zinc/63/06/90/823630690.db2.gz KGGOHOJWAQGTGD-UHFFFAOYSA-N 0 3 392.837 4.086 20 30 GIEDHN CC(C)(C)[C@@H]1CCc2sc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108499 823652176 /nfs/dbraw/zinc/65/21/76/823652176.db2.gz QDMYHSDINXHIRT-CABCVRRESA-N 0 3 381.501 4.255 20 30 GIEDHN N#CC(C(=O)C=Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccccn1 ZINC000125177257 823656930 /nfs/dbraw/zinc/65/69/30/823656930.db2.gz GYJHLXWPTTZVSQ-VMSUTVGLSA-N 0 3 391.427 4.310 20 30 GIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000063251172 823656955 /nfs/dbraw/zinc/65/69/55/823656955.db2.gz VKVHSKSYAYHNAK-JOCHJYFZSA-N 0 3 391.490 4.124 20 30 GIEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc[nH]2)sc2c1CCCCC2 ZINC000125345380 823669653 /nfs/dbraw/zinc/66/96/53/823669653.db2.gz JFNUPFVSONDTEQ-SFHVURJKSA-N 0 3 382.533 4.382 20 30 GIEDHN CCCOc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000125384109 823672182 /nfs/dbraw/zinc/67/21/82/823672182.db2.gz RJMUTFZCJXDBLS-UHFFFAOYSA-N 0 3 394.519 4.251 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(Cl)c2Br)CC1 ZINC000191718952 823746007 /nfs/dbraw/zinc/74/60/07/823746007.db2.gz DTARCBZMNVGXHI-UHFFFAOYSA-N 0 3 386.721 4.265 20 30 GIEDHN CN(CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000461946823 823767703 /nfs/dbraw/zinc/76/77/03/823767703.db2.gz HWGGQMUEIZSQNB-DHIUTWEWSA-N 0 3 390.531 4.022 20 30 GIEDHN CC(C)(C)[C@@H](CN1CCc2ccccc2C1)NC(=O)N1CCC(CCC#N)CC1 ZINC000574570123 823769479 /nfs/dbraw/zinc/76/94/79/823769479.db2.gz GSJGHNFVXAKDAA-JOCHJYFZSA-N 0 3 396.579 4.185 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COCCc2ccccc2)cc1 ZINC000126275954 823826756 /nfs/dbraw/zinc/82/67/56/823826756.db2.gz APUHNELGVHABIZ-UWJYYQICSA-N 0 3 378.472 4.107 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COCCc2ccccc2)cc1 ZINC000126276181 823827243 /nfs/dbraw/zinc/82/72/43/823827243.db2.gz APUHNELGVHABIZ-DYESRHJHSA-N 0 3 378.472 4.107 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccc(OC(C)C)n2)cc1 ZINC000168062017 823900295 /nfs/dbraw/zinc/90/02/95/823900295.db2.gz SMJUPIKGISLSCL-MAUKXSAKSA-N 0 3 379.460 4.343 20 30 GIEDHN C#CCN1CCC(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000064917203 823912147 /nfs/dbraw/zinc/91/21/47/823912147.db2.gz VRHGYQLUMJEDCP-OAQYLSRUSA-N 0 3 391.902 4.279 20 30 GIEDHN N#Cc1ccc(CN2CC[C@H](NCc3cc(-c4ccccc4)cs3)C2=O)cc1 ZINC000192241528 823913424 /nfs/dbraw/zinc/91/34/24/823913424.db2.gz MEDYPBPNZBOBDR-QFIPXVFZSA-N 0 3 387.508 4.177 20 30 GIEDHN N#Cc1ccc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)s1 ZINC000126915061 823979444 /nfs/dbraw/zinc/97/94/44/823979444.db2.gz BMCNDRDULIKCRI-UHFFFAOYSA-N 0 3 382.533 4.436 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000127066978 824010541 /nfs/dbraw/zinc/01/05/41/824010541.db2.gz ORCCJPSWDVNSRC-INIZCTEOSA-N 0 3 378.359 4.055 20 30 GIEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000458574295 823058122 /nfs/dbraw/zinc/05/81/22/823058122.db2.gz XFWMCSUKYUFFEK-OIBXWCBGSA-N 0 3 390.531 4.384 20 30 GIEDHN C[C@@H]1C[C@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000458574303 823058278 /nfs/dbraw/zinc/05/82/78/823058278.db2.gz XFWMCSUKYUFFEK-WTIAFYNJSA-N 0 3 390.531 4.384 20 30 GIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000458873018 823099919 /nfs/dbraw/zinc/09/99/19/823099919.db2.gz IQMIFTCNKBHTHM-GOSISDBHSA-N 0 3 390.531 4.270 20 30 GIEDHN CNC(=O)c1ccc(CN(C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000121178004 823132924 /nfs/dbraw/zinc/13/29/24/823132924.db2.gz KUMWMAMWAHGJKC-UHFFFAOYSA-N 0 3 399.494 4.129 20 30 GIEDHN CN(CCOc1ccc(F)cc1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000121470134 823190666 /nfs/dbraw/zinc/19/06/66/823190666.db2.gz INXKLTVGXPNAON-UHFFFAOYSA-N 0 3 378.451 4.114 20 30 GIEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@@H]1CCC[C@@H]1C#N ZINC000459456277 823195771 /nfs/dbraw/zinc/19/57/71/823195771.db2.gz FOTVKRDBTXODHX-GDBMZVCRSA-N 0 3 378.314 4.067 20 30 GIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccn(C2CCCC2)n1 ZINC000121566825 823207288 /nfs/dbraw/zinc/20/72/88/823207288.db2.gz WAJNBAOIXVRBIS-CYBMUJFWSA-N 0 3 391.258 4.266 20 30 GIEDHN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121675266 823228204 /nfs/dbraw/zinc/22/82/04/823228204.db2.gz NZDBIQIWOLIGIX-SUMWQHHRSA-N 0 3 380.410 4.042 20 30 GIEDHN C=C[C@H](CC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000121704617 823234122 /nfs/dbraw/zinc/23/41/22/823234122.db2.gz BSCXVONVMGUNNM-KCZVDYSFSA-N 0 3 384.564 4.084 20 30 GIEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1coc(-c2ccccc2)n1 ZINC000121714545 823235775 /nfs/dbraw/zinc/23/57/75/823235775.db2.gz VCHBLGRARABKHS-GOSISDBHSA-N 0 3 381.391 4.456 20 30 GIEDHN C=CCOc1ccc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459649592 823238843 /nfs/dbraw/zinc/23/88/43/823238843.db2.gz MFRNNAWDBMDACM-IBGZPJMESA-N 0 3 399.453 4.441 20 30 GIEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000121780273 823249604 /nfs/dbraw/zinc/24/96/04/823249604.db2.gz MOSUJTPFJJSPQP-HNNXBMFYSA-N 0 3 392.198 4.171 20 30 GIEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000057177523 823259990 /nfs/dbraw/zinc/25/99/90/823259990.db2.gz GHLOMBWHIPFCPA-QGZVFWFLSA-N 0 3 380.463 4.140 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3cccc(C)c3)c2CCC)CC1 ZINC000572103655 823283826 /nfs/dbraw/zinc/28/38/26/823283826.db2.gz JSOXZUMXUQDEFS-UHFFFAOYSA-N 0 3 395.551 4.295 20 30 GIEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccccc1C ZINC000007043839 817745490 /nfs/dbraw/zinc/74/54/90/817745490.db2.gz KVVXASPXIIVJBU-HNNXBMFYSA-N 0 3 397.529 4.007 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000122182648 823318093 /nfs/dbraw/zinc/31/80/93/823318093.db2.gz NVHRUKWWATWVOZ-LJQANCHMSA-N 0 3 385.467 4.291 20 30 GIEDHN CC(C)CCN(CCC#N)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000176938992 823329669 /nfs/dbraw/zinc/32/96/69/823329669.db2.gz QQOWEXAVKJSANZ-UHFFFAOYSA-N 0 3 388.581 4.072 20 30 GIEDHN C#CCN1CCC(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000122478541 823360376 /nfs/dbraw/zinc/36/03/76/823360376.db2.gz VRHGYQLUMJEDCP-NRFANRHFSA-N 0 3 391.902 4.279 20 30 GIEDHN C[C@H]1C[C@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CN1C1CC1 ZINC000177105201 823372698 /nfs/dbraw/zinc/37/26/98/823372698.db2.gz KHCSQRWRRIRYDY-RDJZCZTQSA-N 0 3 377.513 4.064 20 30 GIEDHN C[C@@H]1C[C@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177159945 823386860 /nfs/dbraw/zinc/38/68/60/823386860.db2.gz VKLLNFPLQVRATQ-APWZRJJASA-N 0 3 391.540 4.206 20 30 GIEDHN N#Cc1ccccc1N1CCCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000058580269 823412116 /nfs/dbraw/zinc/41/21/16/823412116.db2.gz JSSOHZSDTYMTDQ-UHFFFAOYSA-N 0 3 375.394 4.169 20 30 GIEDHN C=CCOc1ccc(/C=C/C(=O)Nc2cc(CN(C)C)ccc2C)cc1OC ZINC000177308731 823428695 /nfs/dbraw/zinc/42/86/95/823428695.db2.gz VYGBACWEEOILSX-ZRDIBKRKSA-N 0 3 380.488 4.282 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000123051734 823453884 /nfs/dbraw/zinc/45/38/84/823453884.db2.gz ZZNSYARERYETPL-KRWDZBQOSA-N 0 3 384.439 4.427 20 30 GIEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](c2ccccc2)C(C)C)cc1 ZINC000029113070 820394648 /nfs/dbraw/zinc/39/46/48/820394648.db2.gz ZXXPDALDUUNWCE-QHCPKHFHSA-N 0 3 379.504 4.319 20 30 GIEDHN C=CCc1ccc(OC[C@H](O)CN2CCc3sccc3[C@H]2CC)c(OC)c1 ZINC000030537259 820635840 /nfs/dbraw/zinc/63/58/40/820635840.db2.gz LJYDRQHDPRNBPF-IEBWSBKVSA-N 0 3 387.545 4.234 20 30 GIEDHN CN(C)[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cc1ccccc1 ZINC000032245753 820905012 /nfs/dbraw/zinc/90/50/12/820905012.db2.gz NUTLHGCRWTYSOX-NRFANRHFSA-N 0 3 383.495 4.128 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2[nH]1 ZINC000041494918 821198436 /nfs/dbraw/zinc/19/84/36/821198436.db2.gz OCHOWJVOXDVIGP-AWEZNQCLSA-N 0 3 392.365 4.305 20 30 GIEDHN CCOc1c(Br)cc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041521486 821205141 /nfs/dbraw/zinc/20/51/41/821205141.db2.gz WXWOFDVYDRLTFU-NSHDSACASA-N 0 3 395.278 4.111 20 30 GIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)cc1 ZINC000180816700 821477293 /nfs/dbraw/zinc/47/72/93/821477293.db2.gz XBPCYILNLXDWJA-PXNSSMCTSA-N 0 3 378.472 4.239 20 30 GIEDHN C#CCCOc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181119248 821644018 /nfs/dbraw/zinc/64/40/18/821644018.db2.gz GXBCBMKLYLPCSK-UHFFFAOYSA-N 0 3 377.410 4.141 20 30 GIEDHN C[C@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181213712 821700676 /nfs/dbraw/zinc/70/06/76/821700676.db2.gz OELBCUCKDZRCFY-HNNXBMFYSA-N 0 3 388.389 4.364 20 30 GIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524802 821866430 /nfs/dbraw/zinc/86/64/30/821866430.db2.gz AUCDCXXBSHUYHN-XJKSGUPXSA-N 0 3 390.833 4.022 20 30 GIEDHN C[C@@](C#N)(NC(=O)CN[C@@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596891 821896094 /nfs/dbraw/zinc/89/60/94/821896094.db2.gz LGIKUFJPUPJVPE-UNMCSNQZSA-N 0 3 381.907 4.022 20 30 GIEDHN CC(C)(C)[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181966974 822047929 /nfs/dbraw/zinc/04/79/29/822047929.db2.gz PFRZHNKPKXHXBD-MJGOQNOKSA-N 0 3 381.442 4.191 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(OC)c1 ZINC000182559882 822302338 /nfs/dbraw/zinc/30/23/38/822302338.db2.gz LZPGWMJZZZWXSO-QFIPXVFZSA-N 0 3 391.515 4.063 20 30 GIEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000178103761 822321083 /nfs/dbraw/zinc/32/10/83/822321083.db2.gz UMWYTPLZYNVKIT-OAHLLOKOSA-N 0 3 394.381 4.337 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2C)CC1 ZINC000179164949 822446314 /nfs/dbraw/zinc/44/63/14/822446314.db2.gz MANPNLPXNLHSBC-UHFFFAOYSA-N 0 3 388.512 4.114 20 30 GIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316245 822465027 /nfs/dbraw/zinc/46/50/27/822465027.db2.gz SAYGMQCMWTXWTP-CABCVRRESA-N 0 3 383.458 4.147 20 30 GIEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316238 822465152 /nfs/dbraw/zinc/46/51/52/822465152.db2.gz SAYGMQCMWTXWTP-LSDHHAIUSA-N 0 3 383.458 4.147 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000454445654 822477014 /nfs/dbraw/zinc/47/70/14/822477014.db2.gz MGYHRMQDVJUWGY-LJQANCHMSA-N 0 3 390.531 4.474 20 30 GIEDHN N#CC(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2s1 ZINC000046706477 822507479 /nfs/dbraw/zinc/50/74/79/822507479.db2.gz NNAICMPRXKOBSJ-DLBZAZTESA-N 0 3 378.453 4.344 20 30 GIEDHN Cn1cc(CNCc2ccc(OC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180038172 822602442 /nfs/dbraw/zinc/60/24/42/822602442.db2.gz OEVCQHSFPCAYMS-UHFFFAOYSA-N 0 3 386.377 4.147 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(Br)cc2C)CC1 ZINC000184851140 822700287 /nfs/dbraw/zinc/70/02/87/822700287.db2.gz XRDRULIZAYRJRY-UHFFFAOYSA-N 0 3 384.293 4.059 20 30 GIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704671 822707556 /nfs/dbraw/zinc/70/75/56/822707556.db2.gz NWBGWHLMVAKASU-QAPCUYQASA-N 0 3 382.895 4.363 20 30 GIEDHN CC(C)(CNC(=O)Nc1ccc(CC#N)cc1Cl)N1CCc2ccccc2C1 ZINC000455754073 822720069 /nfs/dbraw/zinc/72/00/69/822720069.db2.gz QBRMJHZRSZCMDU-UHFFFAOYSA-N 0 3 396.922 4.364 20 30 GIEDHN CC1CCN([C@H](CNC(=O)Nc2cccc(CC#N)c2)c2cccs2)CC1 ZINC000455947509 822756044 /nfs/dbraw/zinc/75/60/44/822756044.db2.gz OEOVZYSVGJAWNO-LJQANCHMSA-N 0 3 382.533 4.409 20 30 GIEDHN C[C@@H](N[C@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174374872 822780301 /nfs/dbraw/zinc/78/03/01/822780301.db2.gz CCFGNHZKLRVNSI-HUUCEWRRSA-N 0 3 393.878 4.075 20 30 GIEDHN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000174374846 822780329 /nfs/dbraw/zinc/78/03/29/822780329.db2.gz CCFGNHZKLRVNSI-CABCVRRESA-N 0 3 393.878 4.075 20 30 GIEDHN Cc1c(C#N)cccc1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000456792767 822831482 /nfs/dbraw/zinc/83/14/82/822831482.db2.gz PHKCQJQUELBJTL-UHFFFAOYSA-N 0 3 383.879 4.245 20 30 GIEDHN C=CCC(C)(C)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457115963 822854744 /nfs/dbraw/zinc/85/47/44/822854744.db2.gz NDYGEXCQJLHZJR-UHFFFAOYSA-N 0 3 389.971 4.055 20 30 GIEDHN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000054727129 822907956 /nfs/dbraw/zinc/90/79/56/822907956.db2.gz QSNJUBRFVLVYNH-SJLPKXTDSA-N 0 3 380.492 4.080 20 30 GIEDHN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000054727131 822907978 /nfs/dbraw/zinc/90/79/78/822907978.db2.gz QSNJUBRFVLVYNH-WMZOPIPTSA-N 0 3 380.492 4.080 20 30 GIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747411 822962704 /nfs/dbraw/zinc/96/27/04/822962704.db2.gz WONQQGFLVTURJI-RPBOFIJWSA-N 0 3 395.506 4.063 20 30 GIEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000175617911 823007516 /nfs/dbraw/zinc/00/75/16/823007516.db2.gz WKHGQWKMRRDOTR-LJQANCHMSA-N 0 3 388.471 4.137 20 30 GIEDHN C=CCC[C@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113093 823012526 /nfs/dbraw/zinc/01/25/26/823012526.db2.gz XTSNARLVILDONJ-CVDCTZTESA-N 0 3 377.532 4.473 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNC[C@@H](O)c3c(F)cccc3F)c2)c1 ZINC000123978693 823557437 /nfs/dbraw/zinc/55/74/37/823557437.db2.gz DHUPTIZEMKABDH-JOCHJYFZSA-N 0 3 394.421 4.239 20 30 GIEDHN C[C@H](c1cccnc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411413260 823571402 /nfs/dbraw/zinc/57/14/02/823571402.db2.gz CVIUZFHIRPHMHK-LSDHHAIUSA-N 0 3 382.533 4.161 20 30 GIEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609814 823591117 /nfs/dbraw/zinc/59/11/17/823591117.db2.gz NFXNVBFFJBZBBY-VQTJNVASSA-N 0 3 399.441 4.001 20 30 GIEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628769 823593429 /nfs/dbraw/zinc/59/34/29/823593429.db2.gz RGBISQCOFUTGMO-VGOFRKELSA-N 0 3 391.515 4.187 20 30 GIEDHN COc1cc([C@@H](C)NCc2cc(C#N)n(C)c2)ccc1OCc1ccccc1 ZINC000190796928 823610097 /nfs/dbraw/zinc/61/00/97/823610097.db2.gz NXWMLUNUYWOWJE-QGZVFWFLSA-N 0 3 375.472 4.335 20 30 GIEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000125016995 823645406 /nfs/dbraw/zinc/64/54/06/823645406.db2.gz GHNLOAWECCXVMN-KRWDZBQOSA-N 0 3 386.565 4.421 20 30 GIEDHN CCC1(CC)[C@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1OC ZINC000191367617 823677294 /nfs/dbraw/zinc/67/72/94/823677294.db2.gz ANYHNPMCROFAQN-IPELMVKDSA-N 0 3 389.565 4.203 20 30 GIEDHN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000461727112 823688263 /nfs/dbraw/zinc/68/82/63/823688263.db2.gz NSKIXZNAVRNYMY-HXUWFJFHSA-N 0 3 397.567 4.072 20 30 GIEDHN Cn1cc(CN[C@H](CC2CC2)c2cc(F)cc(Br)c2)cc1C#N ZINC000191618822 823714789 /nfs/dbraw/zinc/71/47/89/823714789.db2.gz UNPFEEPRVYLCRO-GOSISDBHSA-N 0 3 376.273 4.429 20 30 GIEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000164403714 823801218 /nfs/dbraw/zinc/80/12/18/823801218.db2.gz JZQJXWKLKBZQAZ-SFHVURJKSA-N 0 3 383.492 4.413 20 30 GIEDHN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126297404 823833383 /nfs/dbraw/zinc/83/33/83/823833383.db2.gz SENGGELARCDVFG-MRXNPFEDSA-N 0 3 390.468 4.092 20 30 GIEDHN COc1ccc(CNCc2cccc(Br)c2)cc1OCCCC#N ZINC000064614593 823853082 /nfs/dbraw/zinc/85/30/82/823853082.db2.gz HBIYTJGOBXYIIL-UHFFFAOYSA-N 0 3 389.293 4.430 20 30 GIEDHN C[C@H](Oc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126569596 823901715 /nfs/dbraw/zinc/90/17/15/823901715.db2.gz FWESNZMMZRZZSK-LRDDRELGSA-N 0 3 390.411 4.116 20 30 GIEDHN CN(C)C[C@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000575817343 824002492 /nfs/dbraw/zinc/00/24/92/824002492.db2.gz RZNHPDDDRKXKRE-KRWDZBQOSA-N 0 3 387.915 4.193 20 30 GIEDHN N#Cc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164996661 722207671 /nfs/dbraw/zinc/20/76/71/722207671.db2.gz UXPVPRGPVWNZQD-XMMPIXPASA-N 0 3 386.474 4.490 20 30 GIEDHN N#Cc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc2ccccc12 ZINC001164996659 722207698 /nfs/dbraw/zinc/20/76/98/722207698.db2.gz UXPVPRGPVWNZQD-DEOSSOPVSA-N 0 3 386.474 4.490 20 30 GIEDHN C=CCC1(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCCC1 ZINC000458742975 823080569 /nfs/dbraw/zinc/08/05/69/823080569.db2.gz NWRFEHSPCKMKTK-UHFFFAOYSA-N 0 3 387.490 4.370 20 30 GIEDHN CN(C)CCN(Cc1ccccc1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458801190 823088043 /nfs/dbraw/zinc/08/80/43/823088043.db2.gz MYUUALDTXIHIOK-QFIPXVFZSA-N 0 3 378.520 4.195 20 30 GIEDHN C=CCN1CCC(NC(=O)CCSc2ccnc3cc(Cl)ccc32)CC1 ZINC000176015211 823096349 /nfs/dbraw/zinc/09/63/49/823096349.db2.gz RNMOKYJALBNUMQ-UHFFFAOYSA-N 0 3 389.952 4.137 20 30 GIEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000458843490 823096552 /nfs/dbraw/zinc/09/65/52/823096552.db2.gz PPAANHOJZAJJDG-YADHBBJMSA-N 0 3 394.519 4.032 20 30 GIEDHN CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000459021442 823117757 /nfs/dbraw/zinc/11/77/57/823117757.db2.gz XFEJPXIBJUGLMG-ILWGZMRPSA-N 0 3 382.552 4.155 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1ccc(F)c(F)c1 ZINC000121221242 823141291 /nfs/dbraw/zinc/14/12/91/823141291.db2.gz BPRLFNBLWCYGEE-UHFFFAOYSA-N 0 3 392.519 4.106 20 30 GIEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000121357116 823169782 /nfs/dbraw/zinc/16/97/82/823169782.db2.gz PGQYPUVMDJYWTE-SFHVURJKSA-N 0 3 392.434 4.136 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000121730794 823239098 /nfs/dbraw/zinc/23/90/98/823239098.db2.gz CBWZXCHFFDHDGW-APWZRJJASA-N 0 3 378.472 4.489 20 30 GIEDHN COc1ccccc1[C@@H](CN=Cc1cc2ccccc2[nH]c1=O)N1CCCC1 ZINC000121783259 823250147 /nfs/dbraw/zinc/25/01/47/823250147.db2.gz HGFWLCHCGVJBJJ-MNQDVBFDSA-N 0 3 375.472 4.205 20 30 GIEDHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC(C)(C)CC#N ZINC000459704076 823253870 /nfs/dbraw/zinc/25/38/70/823253870.db2.gz WUKKSKADCVPKNA-UHFFFAOYSA-N 0 3 375.314 4.281 20 30 GIEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(Br)cc1F ZINC000571958133 823260412 /nfs/dbraw/zinc/26/04/12/823260412.db2.gz WCMHTAAWRQSGEP-GFCCVEGCSA-N 0 3 390.256 4.139 20 30 GIEDHN C[C@H](N[C@@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473385 823346343 /nfs/dbraw/zinc/34/63/43/823346343.db2.gz RYIKTDNXDREJNA-LAUBAEHRSA-N 0 3 394.494 4.022 20 30 GIEDHN N#Cc1ccsc1NC(=O)CCN1CCC(c2nc3ccccc3s2)CC1 ZINC000025398580 819975066 /nfs/dbraw/zinc/97/50/66/819975066.db2.gz UTONSOSYEZHYQF-UHFFFAOYSA-N 0 3 396.541 4.438 20 30 GIEDHN Cc1cc(CN[C@@H]2CCc3ccc(C#N)cc32)ccc1I ZINC000573292130 823476990 /nfs/dbraw/zinc/47/69/90/823476990.db2.gz PDGYPXSMJTWFTB-GOSISDBHSA-N 0 3 388.252 4.248 20 30 GIEDHN C=CCN1CCC(NC(=O)N(Cc2cccs2)Cc2ccccc2OC)CC1 ZINC000177505163 823478630 /nfs/dbraw/zinc/47/86/30/823478630.db2.gz VKYDSIJLRGTPSI-UHFFFAOYSA-N 0 3 399.560 4.119 20 30 GIEDHN N#Cc1ccc2ncc(CNCc3ccc(COCc4ccccc4)cc3)n2c1 ZINC000123290128 823491094 /nfs/dbraw/zinc/49/10/94/823491094.db2.gz BFBSNBZHIZYCPW-UHFFFAOYSA-N 0 3 382.467 4.213 20 30 GIEDHN CN(C)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 ZINC000032480441 820956474 /nfs/dbraw/zinc/95/64/74/820956474.db2.gz SUEQBRKHWNDPGE-XMMPIXPASA-N 0 3 399.494 4.170 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](CC)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814508 821475025 /nfs/dbraw/zinc/47/50/25/821475025.db2.gz KMGUWGFLYDVCPM-RTBURBONSA-N 0 3 396.487 4.388 20 30 GIEDHN C[C@H](C#N)Oc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181121147 821646381 /nfs/dbraw/zinc/64/63/81/821646381.db2.gz IUSMLXKIXHXDTL-CQSZACIVSA-N 0 3 378.398 4.030 20 30 GIEDHN C[C@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(OCC#N)cc1 ZINC000181635390 821915156 /nfs/dbraw/zinc/91/51/56/821915156.db2.gz SCZLNYXVHADTKJ-KRWDZBQOSA-N 0 3 386.455 4.087 20 30 GIEDHN CC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805971 822000475 /nfs/dbraw/zinc/00/04/75/822000475.db2.gz ZTQUNYBFUCOKRP-FZKQIMNGSA-N 0 3 383.517 4.185 20 30 GIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887438 822026892 /nfs/dbraw/zinc/02/68/92/822026892.db2.gz OLEDWVLDUQIILV-JKSUJKDBSA-N 0 3 380.492 4.046 20 30 GIEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000178176698 822343181 /nfs/dbraw/zinc/34/31/81/822343181.db2.gz GZOQJUXRIJUCQY-DLBZAZTESA-N 0 3 385.533 4.001 20 30 GIEDHN N#CCCn1cc(CN2CC[C@H](Oc3cccc(F)c3)C2)c(-c2ccccc2)n1 ZINC000183210422 822442141 /nfs/dbraw/zinc/44/21/41/822442141.db2.gz SAAZGNLNICVENE-QFIPXVFZSA-N 0 3 390.462 4.256 20 30 GIEDHN C=CCOc1cccc(CN2CCC(C(=O)Nc3ccccc3OC)CC2)c1 ZINC000179769602 822548906 /nfs/dbraw/zinc/54/89/06/822548906.db2.gz BLHBMSSRWUCMIH-UHFFFAOYSA-N 0 3 380.488 4.111 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000455000995 822568314 /nfs/dbraw/zinc/56/83/14/822568314.db2.gz YXWKMQRUBNJROC-MRXNPFEDSA-N 0 3 382.895 4.197 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000179982696 822590327 /nfs/dbraw/zinc/59/03/27/822590327.db2.gz YTSYZWNZLONTJQ-QRWLVFNGSA-N 0 3 379.460 4.343 20 30 GIEDHN Cn1cc(CN(Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180028494 822600366 /nfs/dbraw/zinc/60/03/66/822600366.db2.gz TWNVYMSZUOIYCR-UHFFFAOYSA-N 0 3 387.443 4.032 20 30 GIEDHN CCNC(=O)c1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000047703968 822601227 /nfs/dbraw/zinc/60/12/27/822601227.db2.gz ULVAJPNHAJELBJ-UHFFFAOYSA-N 0 3 399.494 4.177 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724530 822714291 /nfs/dbraw/zinc/71/42/91/822714291.db2.gz CDUDFJJHTNALGI-YWZLYKJASA-N 0 3 382.895 4.048 20 30 GIEDHN CCc1ccc([C@@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)N(C)C)cc1 ZINC000455755821 822720530 /nfs/dbraw/zinc/72/05/30/822720530.db2.gz RPCCWHSFPDVMMH-HXUWFJFHSA-N 0 3 384.911 4.393 20 30 GIEDHN CC(C)Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050684394 822736100 /nfs/dbraw/zinc/73/61/00/822736100.db2.gz BJGMCYCYVBRYPK-FQEVSTJZSA-N 0 3 382.504 4.006 20 30 GIEDHN C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051156421 822748571 /nfs/dbraw/zinc/74/85/71/822748571.db2.gz SZKROOJNFOTGDL-XHDPSFHLSA-N 0 3 399.859 4.051 20 30 GIEDHN CSc1ccc([C@@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000456032594 822769040 /nfs/dbraw/zinc/76/90/40/822769040.db2.gz OBUZWARFTLKGIU-OAQYLSRUSA-N 0 3 395.572 4.268 20 30 GIEDHN COc1ccc(CN[C@H](C)c2ccc(-n3cccn3)cc2)cc1OCCCC#N ZINC000174435835 822789787 /nfs/dbraw/zinc/78/97/87/822789787.db2.gz FSGAAQQSBJIFHV-GOSISDBHSA-N 0 3 390.487 4.414 20 30 GIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185568143 822797370 /nfs/dbraw/zinc/79/73/70/822797370.db2.gz WRLKISXWGRYJRJ-NUJGCVRESA-N 0 3 395.528 4.174 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175110252 822884230 /nfs/dbraw/zinc/88/42/30/822884230.db2.gz OKOZZXFTNBYQJK-NWDGAFQWSA-N 0 3 376.865 4.251 20 30 GIEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1 ZINC000175111250 822884441 /nfs/dbraw/zinc/88/44/41/822884441.db2.gz LETKKTDLUCYUCQ-ZDUSSCGKSA-N 0 3 396.299 4.429 20 30 GIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000054538506 822894217 /nfs/dbraw/zinc/89/42/17/822894217.db2.gz UURXULBDJDVKIL-UHFFFAOYSA-N 0 3 398.482 4.080 20 30 GIEDHN C=CCC[C@@H](C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113128 823012465 /nfs/dbraw/zinc/01/24/65/823012465.db2.gz XTSNARLVILDONJ-WMZHIEFXSA-N 0 3 377.532 4.473 20 30 GIEDHN COc1c(Br)cc(CNCC2(CC#N)CC2)cc1Br ZINC000570349412 823027552 /nfs/dbraw/zinc/02/75/52/823027552.db2.gz PKUPKVGZTUSGAZ-UHFFFAOYSA-N 0 3 388.103 4.004 20 30 GIEDHN Cc1nc(-c2ccccc2)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000060722723 823554060 /nfs/dbraw/zinc/55/40/60/823554060.db2.gz YIBHFVRSHCNRHP-UHFFFAOYSA-N 0 3 398.510 4.133 20 30 GIEDHN C[C@H](c1ccncc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411427745 823573003 /nfs/dbraw/zinc/57/30/03/823573003.db2.gz UKGAQJKUVJNFGM-LSDHHAIUSA-N 0 3 382.533 4.161 20 30 GIEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cccc(O)c1 ZINC000411450819 823576017 /nfs/dbraw/zinc/57/60/17/823576017.db2.gz GRNBDRDQHIBTRJ-UONOGXRCSA-N 0 3 383.517 4.130 20 30 GIEDHN C=CCOc1cccc(CN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000124323571 823587206 /nfs/dbraw/zinc/58/72/06/823587206.db2.gz PKMUJXYFDLLRAI-UHFFFAOYSA-N 0 3 376.460 4.076 20 30 GIEDHN COc1ccc2cc([C@@H](C)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606277 823590747 /nfs/dbraw/zinc/59/07/47/823590747.db2.gz VBROHRVGZPWOBR-OSPHWJPCSA-N 0 3 399.494 4.172 20 30 GIEDHN CC(C)COc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627023 823593256 /nfs/dbraw/zinc/59/32/56/823593256.db2.gz QAFZHTNIZCXISU-WZONZLPQSA-N 0 3 391.515 4.045 20 30 GIEDHN CC(C)(C#N)c1ccccc1CN[C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014605 823622872 /nfs/dbraw/zinc/62/28/72/823622872.db2.gz XTFBWZYVAXZXSL-JOCHJYFZSA-N 0 3 378.516 4.108 20 30 GIEDHN Cc1cc2occ(CC(=O)C(C#N)C(=O)Nc3ccccn3)c2cc1C(C)C ZINC000125129709 823653827 /nfs/dbraw/zinc/65/38/27/823653827.db2.gz PCYGUBVFYIECMX-SFHVURJKSA-N 0 3 375.428 4.150 20 30 GIEDHN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125271255 823663877 /nfs/dbraw/zinc/66/38/77/823663877.db2.gz STDVDBCPUMITRQ-JQWIXIFHSA-N 0 3 394.283 4.217 20 30 GIEDHN N#Cc1ccc(OC[C@@H](O)CN2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063762593 823693916 /nfs/dbraw/zinc/69/39/16/823693916.db2.gz YGPZYRRGKYXTNX-QFIPXVFZSA-N 0 3 384.479 4.240 20 30 GIEDHN N#CCCCOc1cccnc1NC(=O)c1cccc(CN2CCCCC2)c1 ZINC000413325536 823752805 /nfs/dbraw/zinc/75/28/05/823752805.db2.gz MDFFXVCMKVQEMK-UHFFFAOYSA-N 0 3 378.476 4.002 20 30 GIEDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919629 823755117 /nfs/dbraw/zinc/75/51/17/823755117.db2.gz GKLPBRAWMPGGKP-WMZHIEFXSA-N 0 3 375.516 4.251 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1C#N)c1ccc(C(F)(F)F)cc1 ZINC000461953697 823770159 /nfs/dbraw/zinc/77/01/59/823770159.db2.gz AYDVAEOFBZTRBR-KBAYOESNSA-N 0 3 396.457 4.080 20 30 GIEDHN COc1ccccc1-c1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cs1 ZINC000126251249 823821144 /nfs/dbraw/zinc/82/11/44/823821144.db2.gz LYVMNFFZVIMQJQ-MRXNPFEDSA-N 0 3 391.452 4.088 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)c2ccccc2F)cc1Cl ZINC000170672951 823933402 /nfs/dbraw/zinc/93/34/02/823933402.db2.gz JIJXTOZHSDPENN-WFASDCNBSA-N 0 3 388.826 4.329 20 30 GIEDHN C=CCOc1c(Br)cc(CN(C)CCc2ccccn2)cc1OC ZINC000120811798 823069001 /nfs/dbraw/zinc/06/90/01/823069001.db2.gz FIMWBUOWQUOWLX-UHFFFAOYSA-N 0 3 391.309 4.092 20 30 GIEDHN CN(C)C[C@@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855423 823098204 /nfs/dbraw/zinc/09/82/04/823098204.db2.gz YBMINXQIJYLYHG-LEWJYISDSA-N 0 3 382.483 4.163 20 30 GIEDHN CN(C)C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855426 823098214 /nfs/dbraw/zinc/09/82/14/823098214.db2.gz YBMINXQIJYLYHG-SFTDATJTSA-N 0 3 382.483 4.163 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)cc1Cl ZINC000176020209 823097620 /nfs/dbraw/zinc/09/76/20/823097620.db2.gz KCJAUJCGMUZBJR-HNNXBMFYSA-N 0 3 390.892 4.389 20 30 GIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2ccnc(OCc3ccccc3)c2)cc1 ZINC000121303195 823159247 /nfs/dbraw/zinc/15/92/47/823159247.db2.gz OCSZZLRCIKEKKV-OAQYLSRUSA-N 0 3 399.450 4.184 20 30 GIEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F ZINC000121567008 823207346 /nfs/dbraw/zinc/20/73/46/823207346.db2.gz MCUXHYTZBYBSDJ-LLVKDONJSA-N 0 3 381.190 4.102 20 30 GIEDHN Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3cccc(C#N)c3)CC2)cc1F ZINC000188270141 823212059 /nfs/dbraw/zinc/21/20/59/823212059.db2.gz FUMZSLFIMBOFKD-KRWDZBQOSA-N 0 3 379.479 4.095 20 30 GIEDHN Cc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc(C#N)c3)CC2)cc1F ZINC000188270166 823212047 /nfs/dbraw/zinc/21/20/47/823212047.db2.gz FUMZSLFIMBOFKD-QGZVFWFLSA-N 0 3 379.479 4.095 20 30 GIEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000056796452 823215405 /nfs/dbraw/zinc/21/54/05/823215405.db2.gz WPBGBDYKFZCNOJ-FQEVSTJZSA-N 0 3 399.560 4.291 20 30 GIEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000056796453 823215430 /nfs/dbraw/zinc/21/54/30/823215430.db2.gz WPBGBDYKFZCNOJ-HXUWFJFHSA-N 0 3 399.560 4.291 20 30 GIEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121676117 823228470 /nfs/dbraw/zinc/22/84/70/823228470.db2.gz SRXSZDHBRXKZFH-CXAGYDPISA-N 0 3 380.410 4.042 20 30 GIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1coc(-c2ccccc2)n1 ZINC000121699272 823233164 /nfs/dbraw/zinc/23/31/64/823233164.db2.gz IXXSTTGLEQEQER-SFHVURJKSA-N 0 3 387.439 4.428 20 30 GIEDHN CCCCn1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000121988677 823289430 /nfs/dbraw/zinc/28/94/30/823289430.db2.gz RQAVTBUPZSZWRQ-ZDUSSCGKSA-N 0 3 393.274 4.260 20 30 GIEDHN COc1ccc2cc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c(C)nc2c1 ZINC000122431410 823353092 /nfs/dbraw/zinc/35/30/92/823353092.db2.gz DGHQRFGLSOBMIH-INIZCTEOSA-N 0 3 385.345 4.456 20 30 GIEDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177159979 823386674 /nfs/dbraw/zinc/38/66/74/823386674.db2.gz VKLLNFPLQVRATQ-QFBILLFUSA-N 0 3 391.540 4.206 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccccc1Br ZINC000122990482 823444473 /nfs/dbraw/zinc/44/44/73/823444473.db2.gz RCEQDFAPGOYLKR-AWEZNQCLSA-N 0 3 382.261 4.145 20 30 GIEDHN C[C@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101879 820742342 /nfs/dbraw/zinc/74/23/42/820742342.db2.gz JFXXTRNDRKYFMC-FXAWDEMLSA-N 0 3 396.560 4.453 20 30 GIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043231066 821377547 /nfs/dbraw/zinc/37/75/47/821377547.db2.gz CNYGRMLXWNQCEM-FQEVSTJZSA-N 0 3 396.560 4.378 20 30 GIEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000181010596 821591586 /nfs/dbraw/zinc/59/15/86/821591586.db2.gz RTXUCGJEVZJDCN-ZDUSSCGKSA-N 0 3 396.365 4.170 20 30 GIEDHN C=CCc1cc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc(OC)c1O ZINC000181125206 821648401 /nfs/dbraw/zinc/64/84/01/821648401.db2.gz MQVBLYJMJNGAGP-UHFFFAOYSA-N 0 3 395.425 4.182 20 30 GIEDHN C[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000181213730 821700975 /nfs/dbraw/zinc/70/09/75/821700975.db2.gz OELBCUCKDZRCFY-OAHLLOKOSA-N 0 3 388.389 4.364 20 30 GIEDHN N#CC(C(=O)c1cnn(CCC(F)(F)F)c1)c1nc2ccccc2n1C(F)F ZINC000181499450 821855747 /nfs/dbraw/zinc/85/57/47/821855747.db2.gz TZNDYLANIMDSDE-LLVKDONJSA-N 0 3 397.307 4.070 20 30 GIEDHN C[C@](C#N)(NC(=O)CN[C@@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596873 821895984 /nfs/dbraw/zinc/89/59/84/821895984.db2.gz LGIKUFJPUPJVPE-RBBKRZOGSA-N 0 3 381.907 4.022 20 30 GIEDHN C[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N2CCCC2)c1 ZINC000181881675 822025294 /nfs/dbraw/zinc/02/52/94/822025294.db2.gz DVEZUVHWQZBCHT-HNNXBMFYSA-N 0 3 382.895 4.101 20 30 GIEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000179472860 822487660 /nfs/dbraw/zinc/48/76/60/822487660.db2.gz KFSKDBIDVKBREB-ZDUSSCGKSA-N 0 3 384.848 4.113 20 30 GIEDHN Cc1cc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)s1 ZINC000046600855 822490586 /nfs/dbraw/zinc/49/05/86/822490586.db2.gz SDNUMHBEIQFCQO-INIZCTEOSA-N 0 3 384.549 4.071 20 30 GIEDHN COc1ccc([C@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686504 822527114 /nfs/dbraw/zinc/52/71/14/822527114.db2.gz UWSBWNGJVSJUBA-KSFYIVLOSA-N 0 3 395.478 4.210 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(N4CCCCC4=O)c3)CC2)cc1 ZINC000179853943 822566661 /nfs/dbraw/zinc/56/66/61/822566661.db2.gz NFGPJQNTQWKQFV-UHFFFAOYSA-N 0 3 388.515 4.152 20 30 GIEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969667 822587719 /nfs/dbraw/zinc/58/77/19/822587719.db2.gz POEPJSDBJKRRAY-LIRRHRJNSA-N 0 3 385.414 4.006 20 30 GIEDHN Cc1cc(Br)ccc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180191661 822636158 /nfs/dbraw/zinc/63/61/58/822636158.db2.gz HRXSNSYBTRMCDQ-UHFFFAOYSA-N 0 3 395.304 4.320 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3cccc(F)c3)c2CCC)CC1 ZINC000184522728 822650431 /nfs/dbraw/zinc/65/04/31/822650431.db2.gz RCUSXSWDJBDWCQ-UHFFFAOYSA-N 0 3 399.514 4.126 20 30 GIEDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000180524561 822696130 /nfs/dbraw/zinc/69/61/30/822696130.db2.gz QOHZOJQSTOWTMC-QGZVFWFLSA-N 0 3 397.548 4.004 20 30 GIEDHN COc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1OCCCC#N ZINC000180604219 822710022 /nfs/dbraw/zinc/71/00/22/822710022.db2.gz HGTXLOUJXXTXSM-OALUTQOASA-N 0 3 384.476 4.059 20 30 GIEDHN N#CCc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)c(Cl)c1 ZINC000455741961 822718012 /nfs/dbraw/zinc/71/80/12/822718012.db2.gz BFGKCHYRABOTMN-KRWDZBQOSA-N 0 3 388.924 4.426 20 30 GIEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000185581339 822798906 /nfs/dbraw/zinc/79/89/06/822798906.db2.gz GPXVGECYTXUXKY-LJQANCHMSA-N 0 3 394.519 4.017 20 30 GIEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000185581317 822798913 /nfs/dbraw/zinc/79/89/13/822798913.db2.gz GPXVGECYTXUXKY-IBGZPJMESA-N 0 3 394.519 4.017 20 30 GIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2COc3ccccc32)ccc1Cl ZINC000185641652 822805833 /nfs/dbraw/zinc/80/58/33/822805833.db2.gz UHKKJAFKXQUQDO-APWZRJJASA-N 0 3 397.906 4.049 20 30 GIEDHN CC(C)Cn1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000054727341 822908044 /nfs/dbraw/zinc/90/80/44/822908044.db2.gz RCOOMMLQOQQSPQ-QGZVFWFLSA-N 0 3 375.476 4.105 20 30 GIEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H]2C(F)F)cc1OCC ZINC000569525536 822934487 /nfs/dbraw/zinc/93/44/87/822934487.db2.gz KSPGNBBPCLZHDY-AAEUAGOBSA-N 0 3 376.241 4.156 20 30 GIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747408 822962811 /nfs/dbraw/zinc/96/28/11/822962811.db2.gz WONQQGFLVTURJI-DQEYMECFSA-N 0 3 395.506 4.063 20 30 GIEDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000569827117 822973494 /nfs/dbraw/zinc/97/34/94/822973494.db2.gz DKVPJMZEXZZPBT-UHFFFAOYSA-N 0 3 392.503 4.084 20 30 GIEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)c2cccc(CC#N)c2)CC1 ZINC000569927098 822986561 /nfs/dbraw/zinc/98/65/61/822986561.db2.gz AHMOCXDYBZEWQK-UHFFFAOYSA-N 0 3 383.879 4.131 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000187235136 823028629 /nfs/dbraw/zinc/02/86/29/823028629.db2.gz FIJAYIGBHTYMLV-AWEZNQCLSA-N 0 3 381.395 4.200 20 30 GIEDHN COc1cc(CNCc2ccc(OCC#N)cc2)ccc1OCc1ccccc1 ZINC000060843519 823561547 /nfs/dbraw/zinc/56/15/47/823561547.db2.gz NSPXHMLYDJYNGE-UHFFFAOYSA-N 0 3 388.467 4.466 20 30 GIEDHN Cc1ccccc1[C@H](CC(F)(F)F)NCCC(=O)Nc1cccc(C#N)c1 ZINC000411652143 823594309 /nfs/dbraw/zinc/59/43/09/823594309.db2.gz YLBZRVHJGFOIQU-SFHVURJKSA-N 0 3 375.394 4.479 20 30 GIEDHN N#CCCN(C(=O)CN[C@H]1CCCC[C@H]1C(F)(F)F)c1cccc(Cl)c1 ZINC000124455462 823598112 /nfs/dbraw/zinc/59/81/12/823598112.db2.gz CUUXWPIXJACOLI-CVEARBPZSA-N 0 3 387.833 4.297 20 30 GIEDHN CC(C)CCC1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000124788014 823626275 /nfs/dbraw/zinc/62/62/75/823626275.db2.gz NBUJCOMBOIAURL-LJQANCHMSA-N 0 3 376.504 4.372 20 30 GIEDHN N#CC(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cnc2ccccc2n1 ZINC000190954435 823629915 /nfs/dbraw/zinc/62/99/15/823629915.db2.gz JHSNHSKUYDZUJU-MRXNPFEDSA-N 0 3 398.447 4.434 20 30 GIEDHN CCN1CCN(c2cccc(NCc3cccc(OCCCC#N)c3)c2)CC1 ZINC000190967501 823631944 /nfs/dbraw/zinc/63/19/44/823631944.db2.gz OXGNGILCGTVFBO-UHFFFAOYSA-N 0 3 378.520 4.123 20 30 GIEDHN Cc1cc2occ(CC(=O)C(C#N)C(=O)NCCCOC(C)C)c2cc1C(C)C ZINC000125451256 823677245 /nfs/dbraw/zinc/67/72/45/823677245.db2.gz RQCZNMQSNNVWJD-FQEVSTJZSA-N 0 3 398.503 4.047 20 30 GIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000064412307 823813824 /nfs/dbraw/zinc/81/38/24/823813824.db2.gz OSRVBVHBKZPMFM-UHFFFAOYSA-N 0 3 390.409 4.173 20 30 GIEDHN COc1ccc(CNCc2cc(Br)cs2)cc1OCCCC#N ZINC000064614120 823853046 /nfs/dbraw/zinc/85/30/46/823853046.db2.gz BOVAQOPGEWVDLX-UHFFFAOYSA-N 0 3 395.322 4.492 20 30 GIEDHN C[C@@H](C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210884 823873732 /nfs/dbraw/zinc/87/37/32/823873732.db2.gz GZILZWKDHOGPCM-JPYJTQIMSA-N 0 3 389.543 4.251 20 30 GIEDHN CCOc1c(Br)cc(CNCc2ccc(CC#N)cc2)cc1OC ZINC000575045415 823899011 /nfs/dbraw/zinc/89/90/11/823899011.db2.gz CPJRNFHPHCYUFA-UHFFFAOYSA-N 0 3 389.293 4.212 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCCc2ccc(C)cc2)cc1OC ZINC000126949318 823987497 /nfs/dbraw/zinc/98/74/97/823987497.db2.gz MFVHIEABKQYGKF-IBGZPJMESA-N 0 3 394.471 4.073 20 30 GIEDHN COc1ccccc1C[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000170960446 824019460 /nfs/dbraw/zinc/01/94/60/824019460.db2.gz DUYBDPLYLSEGBN-KBXCAEBGSA-N 0 3 384.863 4.265 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccc(C)c(C)c2)c1 ZINC000127128462 824022753 /nfs/dbraw/zinc/02/27/53/824022753.db2.gz HOSYDKAXKXPGLY-IBGZPJMESA-N 0 3 382.485 4.142 20 30 GIEDHN CCSc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000171037110 824043961 /nfs/dbraw/zinc/04/39/61/824043961.db2.gz XJYDXHYMPOMDIR-AWEZNQCLSA-N 0 3 394.283 4.462 20 30 GIEDHN CN(C)CCN(Cc1ccccc1F)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458798409 823087091 /nfs/dbraw/zinc/08/70/91/823087091.db2.gz ICXKZAHNKWRGCY-QFIPXVFZSA-N 0 3 396.510 4.334 20 30 GIEDHN CC1CCC(N2CCN(C(=O)N[C@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000458801089 823087997 /nfs/dbraw/zinc/08/79/97/823087997.db2.gz MLOVJHHJDRGSCL-KITAHSCOSA-N 0 3 382.552 4.327 20 30 GIEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000176020609 823097522 /nfs/dbraw/zinc/09/75/22/823097522.db2.gz ZATKYANFWRRJJE-UHFFFAOYSA-N 0 3 396.438 4.234 20 30 GIEDHN N#CCSc1cccc(C(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000176037975 823102932 /nfs/dbraw/zinc/10/29/32/823102932.db2.gz CQHDUIZAKCFTTI-UHFFFAOYSA-N 0 3 393.556 4.083 20 30 GIEDHN COCCOc1ccc([C@@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391293 823176471 /nfs/dbraw/zinc/17/64/71/823176471.db2.gz YXJNNKQKFIBMQW-IIBYNOLFSA-N 0 3 380.488 4.320 20 30 GIEDHN CC(C)N(Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](O)COc1ccccc1 ZINC000571614592 823209383 /nfs/dbraw/zinc/20/93/83/823209383.db2.gz UOIOHGPMVNFWDW-SFHVURJKSA-N 0 3 392.421 4.227 20 30 GIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2nc(-c3ccccc3F)oc2C)cc1 ZINC000121709954 823235037 /nfs/dbraw/zinc/23/50/37/823235037.db2.gz RQMFBZQTQXIYOC-QGZVFWFLSA-N 0 3 391.402 4.313 20 30 GIEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000121824947 823258398 /nfs/dbraw/zinc/25/83/98/823258398.db2.gz QCFDNTOKTDOMMT-GOSISDBHSA-N 0 3 393.556 4.455 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)CC1 ZINC000188565906 823262739 /nfs/dbraw/zinc/26/27/39/823262739.db2.gz ZZNTZGOWSINMML-UHFFFAOYSA-N 0 3 396.535 4.066 20 30 GIEDHN CC(C)C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000057393722 823289427 /nfs/dbraw/zinc/28/94/27/823289427.db2.gz CMMIOYQZDJWWSN-HXUWFJFHSA-N 0 3 398.576 4.480 20 30 GIEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000057641702 823317484 /nfs/dbraw/zinc/31/74/84/823317484.db2.gz DFYSRRIJKOZDNG-HSZRJFAPSA-N 0 3 397.494 4.458 20 30 GIEDHN N#CCCn1cc(CN2CC=C(c3ccc(O)cc3)CC2)c(-c2ccccc2)n1 ZINC000122261996 823329255 /nfs/dbraw/zinc/32/92/55/823329255.db2.gz NUYIXVDHPAXSFV-UHFFFAOYSA-N 0 3 384.483 4.459 20 30 GIEDHN CCCc1nnc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)o1 ZINC000122329202 823338829 /nfs/dbraw/zinc/33/88/29/823338829.db2.gz FOLQCCAVRVKBOW-CYBMUJFWSA-N 0 3 384.486 4.114 20 30 GIEDHN CC(C)(C)OC(=O)CSCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000122332992 823339679 /nfs/dbraw/zinc/33/96/79/823339679.db2.gz DYZWJQIRWQTFGG-NSHDSACASA-N 0 3 396.921 4.201 20 30 GIEDHN CC(C)(C)OC(=O)CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122322035 823337909 /nfs/dbraw/zinc/33/79/09/823337909.db2.gz XHVZBMJJMVIZFA-CQSZACIVSA-N 0 3 388.514 4.061 20 30 GIEDHN C=C(C)COc1cc(CN[C@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000057967844 823351451 /nfs/dbraw/zinc/35/14/51/823351451.db2.gz WVNIBQHEMQPZQA-QGZVFWFLSA-N 0 3 396.487 4.458 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)CSCc1ccccc1 ZINC000122448596 823355545 /nfs/dbraw/zinc/35/55/45/823355545.db2.gz NJGWBVFJKFFAKL-WMZOPIPTSA-N 0 3 396.512 4.302 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)CSCc1ccccc1 ZINC000122448772 823355883 /nfs/dbraw/zinc/35/58/83/823355883.db2.gz NJGWBVFJKFFAKL-FUHWJXTLSA-N 0 3 396.512 4.302 20 30 GIEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(OCC(F)(F)F)cc1 ZINC000122695196 823396053 /nfs/dbraw/zinc/39/60/53/823396053.db2.gz WIVGBBIQJNUILN-CABCVRRESA-N 0 3 397.441 4.009 20 30 GIEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000025301331 819958009 /nfs/dbraw/zinc/95/80/09/819958009.db2.gz NGNAENPJOFQXAP-DENIHFKCSA-N 0 3 397.515 4.009 20 30 GIEDHN CCOc1ccc([C@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000027379686 820235301 /nfs/dbraw/zinc/23/53/01/820235301.db2.gz CWRVWRJOTWQSFG-HSZRJFAPSA-N 0 3 395.503 4.281 20 30 GIEDHN CCOc1ccc([C@@H](NCC(=O)Nc2ccc(C#N)cc2)C(C)C)cc1OCC ZINC000027379683 820235500 /nfs/dbraw/zinc/23/55/00/820235500.db2.gz CWRVWRJOTWQSFG-QHCPKHFHSA-N 0 3 395.503 4.281 20 30 GIEDHN CC1CCN([C@@H](CNC(=O)CCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000027574849 820261982 /nfs/dbraw/zinc/26/19/82/820261982.db2.gz JRUUUWZBBDIUPD-FQEVSTJZSA-N 0 3 381.545 4.142 20 30 GIEDHN CN(C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000059994038 823504472 /nfs/dbraw/zinc/50/44/72/823504472.db2.gz UAGOIWJVRXIVJV-XMMPIXPASA-N 0 3 399.494 4.170 20 30 GIEDHN CN(C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000059994035 823504548 /nfs/dbraw/zinc/50/45/48/823504548.db2.gz UAGOIWJVRXIVJV-DEOSSOPVSA-N 0 3 399.494 4.170 20 30 GIEDHN N#CC(C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1 ZINC000041493431 821197330 /nfs/dbraw/zinc/19/73/30/821197330.db2.gz OOPHUELPHHXGEL-HXUWFJFHSA-N 0 3 378.435 4.483 20 30 GIEDHN COc1ccc([C@H](C)NCc2ccc(OCC#N)cc2)cc1Br ZINC000177863647 823538123 /nfs/dbraw/zinc/53/81/23/823538123.db2.gz WIRGEYPWOCTHPE-ZDUSSCGKSA-N 0 3 375.266 4.211 20 30 GIEDHN C[C@H](NCCOc1ccc(C#N)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181156660 821668615 /nfs/dbraw/zinc/66/86/15/821668615.db2.gz OKLNTNSQIFAZJL-KRWDZBQOSA-N 0 3 398.528 4.004 20 30 GIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524872 821866506 /nfs/dbraw/zinc/86/65/06/821866506.db2.gz AUCDCXXBSHUYHN-CJNGLKHVSA-N 0 3 390.833 4.022 20 30 GIEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(O)c1 ZINC000181540137 821873603 /nfs/dbraw/zinc/87/36/03/821873603.db2.gz UDPFSCMLGDOWSC-AWEZNQCLSA-N 0 3 383.517 4.274 20 30 GIEDHN CNC(=O)c1ccc(CN(C)CCC(C#N)(c2ccccc2)c2ccccc2)cc1 ZINC000182643874 822336017 /nfs/dbraw/zinc/33/60/17/822336017.db2.gz RVAASJFFDXTSFG-UHFFFAOYSA-N 0 3 397.522 4.378 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3cc(F)ccc3OC(F)F)CC2)cc1 ZINC000182891686 822387224 /nfs/dbraw/zinc/38/72/24/822387224.db2.gz XRGTWWWXTJXUEV-UHFFFAOYSA-N 0 3 375.394 4.375 20 30 GIEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000046041182 822437790 /nfs/dbraw/zinc/43/77/90/822437790.db2.gz LHZPEIOKNQKFDS-NRFANRHFSA-N 0 3 398.938 4.436 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)Cc2ccc(Cl)cc2)cc1 ZINC000179796399 822554598 /nfs/dbraw/zinc/55/45/98/822554598.db2.gz NZAYPYGDXDBLMT-KUHUBIRLSA-N 0 3 384.863 4.265 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)Cc2ccc(Cl)cc2)cc1 ZINC000179796367 822554605 /nfs/dbraw/zinc/55/46/05/822554605.db2.gz NZAYPYGDXDBLMT-AUUYWEPGSA-N 0 3 384.863 4.265 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(N4CCCCC4)cn3)CC2)cc1 ZINC000179924012 822577951 /nfs/dbraw/zinc/57/79/51/822577951.db2.gz BIIYSIHDEFWFLS-UHFFFAOYSA-N 0 3 375.520 4.020 20 30 GIEDHN C=CCC[C@@H](NCC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000180047261 822603905 /nfs/dbraw/zinc/60/39/05/822603905.db2.gz SRWCICQCPXMGIG-LJQANCHMSA-N 0 3 377.488 4.049 20 30 GIEDHN Cn1cc(CNCc2cccc(-c3ccccn3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180336750 822665620 /nfs/dbraw/zinc/66/56/20/822665620.db2.gz BERZSUPBYWIHIP-UHFFFAOYSA-N 0 3 379.467 4.311 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC(F)(F)F)CC1 ZINC000455640031 822688883 /nfs/dbraw/zinc/68/88/83/822688883.db2.gz NUFMGIRCEWAXCF-UHFFFAOYSA-N 0 3 377.794 4.011 20 30 GIEDHN C[C@@H](NCc1ccc(OCC#N)cc1)c1ccc(I)cc1 ZINC000180556084 822701703 /nfs/dbraw/zinc/70/17/03/822701703.db2.gz OKYISGJWFFOBLN-CYBMUJFWSA-N 0 3 392.240 4.044 20 30 GIEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704666 822707637 /nfs/dbraw/zinc/70/76/37/822707637.db2.gz NWBGWHLMVAKASU-CRAIPNDOSA-N 0 3 382.895 4.363 20 30 GIEDHN C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358878 822777528 /nfs/dbraw/zinc/77/75/28/822777528.db2.gz BJUJMSMQBDDCGA-LIRRHRJNSA-N 0 3 385.414 4.006 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000174366447 822778668 /nfs/dbraw/zinc/77/86/68/822778668.db2.gz YPDFPYSDVOLUQQ-MSOLQXFVSA-N 0 3 394.544 4.188 20 30 GIEDHN CCCC[C@H](N[C@H]1CCC[C@H](C#N)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000185805834 822822992 /nfs/dbraw/zinc/82/29/92/822822992.db2.gz GDKIZKHZJSNBNL-IPJJNNNSSA-N 0 3 382.552 4.456 20 30 GIEDHN CO[C@H](C)c1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000175109688 822883938 /nfs/dbraw/zinc/88/39/38/822883938.db2.gz PAUULDNATJWYLH-CZUORRHYSA-N 0 3 393.468 4.273 20 30 GIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054720340 822907703 /nfs/dbraw/zinc/90/77/03/822907703.db2.gz SPUDBMHHEGLFSD-WMZHIEFXSA-N 0 3 390.531 4.315 20 30 GIEDHN CC1CCN(CCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000054779832 822912321 /nfs/dbraw/zinc/91/23/21/822912321.db2.gz ZLIWKRVHKOMMTA-UHFFFAOYSA-N 0 3 393.556 4.312 20 30 GIEDHN N#CCCCOc1cccc(CN2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186592372 822919516 /nfs/dbraw/zinc/91/95/16/822919516.db2.gz IPHJLMKRCNAGOA-UHFFFAOYSA-N 0 3 382.479 4.078 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cc(Cl)c(C)cc2Br)CC1 ZINC000186775831 822953523 /nfs/dbraw/zinc/95/35/23/822953523.db2.gz DNTWDWAEBANSRK-UHFFFAOYSA-N 0 3 386.721 4.183 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(OC)c1 ZINC000175550238 822995392 /nfs/dbraw/zinc/99/53/92/822995392.db2.gz ZAPRFKWRZDEMDG-NRFANRHFSA-N 0 3 397.544 4.124 20 30 GIEDHN CC1CCN([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000060630780 823549364 /nfs/dbraw/zinc/54/93/64/823549364.db2.gz VROHGLCLSHDYDI-HSZRJFAPSA-N 0 3 390.531 4.173 20 30 GIEDHN C=CCOc1ccc(CNCc2ccc(C)nc2-n2cc(Cl)cn2)cc1OC ZINC000190312259 823561761 /nfs/dbraw/zinc/56/17/61/823561761.db2.gz DAQFMRJQESIIGR-UHFFFAOYSA-N 0 3 398.894 4.092 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCc2nc(C3CC3)no2)cc1 ZINC000124098374 823567531 /nfs/dbraw/zinc/56/75/31/823567531.db2.gz BXFINHIGAULGIC-KSSFIOAISA-N 0 3 394.475 4.131 20 30 GIEDHN C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411413251 823571449 /nfs/dbraw/zinc/57/14/49/823571449.db2.gz CVIUZFHIRPHMHK-CABCVRRESA-N 0 3 382.533 4.161 20 30 GIEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccccc1 ZINC000411458927 823577214 /nfs/dbraw/zinc/57/72/14/823577214.db2.gz RKKNGGPPAHBDQO-DNVCBOLYSA-N 0 3 397.544 4.050 20 30 GIEDHN CCCCOc1cc(OC)ccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190971256 823632617 /nfs/dbraw/zinc/63/26/17/823632617.db2.gz OLFKJLDUOMUGLL-KRWDZBQOSA-N 0 3 375.428 4.307 20 30 GIEDHN N#CC(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cnc2ccccc2n1 ZINC000191000343 823636779 /nfs/dbraw/zinc/63/67/79/823636779.db2.gz ASGGPALDXALYFQ-IBGZPJMESA-N 0 3 392.418 4.372 20 30 GIEDHN N#Cc1cnc2ccc(Cl)cc2c1N1CCN(CCc2ccccc2)CC1 ZINC000461461655 823642442 /nfs/dbraw/zinc/64/24/42/823642442.db2.gz WUMPTZSFXKREJY-UHFFFAOYSA-N 0 3 376.891 4.125 20 30 GIEDHN N#CC(C(=O)CSc1cccc2cccc(Cl)c21)C(=O)Nc1ccccn1 ZINC000125173797 823656706 /nfs/dbraw/zinc/65/67/06/823656706.db2.gz HEEGWFKBUVDSEJ-AWEZNQCLSA-N 0 3 395.871 4.328 20 30 GIEDHN CC1CCN([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2)CC1 ZINC000125265021 823663396 /nfs/dbraw/zinc/66/33/96/823663396.db2.gz ZLHLPZHHRGLNNB-HXUWFJFHSA-N 0 3 383.442 4.039 20 30 GIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000063399996 823668052 /nfs/dbraw/zinc/66/80/52/823668052.db2.gz JEXAYWTXLXEDIM-HSZRJFAPSA-N 0 3 388.515 4.093 20 30 GIEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000125598315 823688757 /nfs/dbraw/zinc/68/87/57/823688757.db2.gz BBGXJAYVQQMSDI-QGZVFWFLSA-N 0 3 391.254 4.248 20 30 GIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000191490867 823690558 /nfs/dbraw/zinc/69/05/58/823690558.db2.gz OTUPFNRNVDFUIM-UHFFFAOYSA-N 0 3 385.552 4.115 20 30 GIEDHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(C2CCCCC2)no1 ZINC000191577075 823703066 /nfs/dbraw/zinc/70/30/66/823703066.db2.gz FUZPIKKIVUFFJC-KRWDZBQOSA-N 0 3 393.535 4.304 20 30 GIEDHN CCc1nc(C(C)C)ccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000574342180 823705138 /nfs/dbraw/zinc/70/51/38/823705138.db2.gz LBBCTWJXNIPOMS-UHFFFAOYSA-N 0 3 376.548 4.347 20 30 GIEDHN CC(C)Cc1ccc([C@H](CNC(=O)c2c(F)cc(C#N)cc2F)N(C)C)cc1 ZINC000574717448 823807707 /nfs/dbraw/zinc/80/77/07/823807707.db2.gz LJMRABRILOHBRP-FQEVSTJZSA-N 0 3 385.458 4.068 20 30 GIEDHN C=CCC1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCC1 ZINC000191919763 823811875 /nfs/dbraw/zinc/81/18/75/823811875.db2.gz RNWYIDRKFOXNSG-UHFFFAOYSA-N 0 3 376.928 4.046 20 30 GIEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000413826528 823846385 /nfs/dbraw/zinc/84/63/85/823846385.db2.gz ICJPLGYDXWYKLU-QHCPKHFHSA-N 0 3 391.559 4.480 20 30 GIEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000413830065 823846719 /nfs/dbraw/zinc/84/67/19/823846719.db2.gz XIFFBPCUJNDVNT-HXUWFJFHSA-N 0 3 381.520 4.073 20 30 GIEDHN C[C@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000126408152 823859543 /nfs/dbraw/zinc/85/95/43/823859543.db2.gz BVTFHCHUBOGGFZ-PMACEKPBSA-N 0 3 390.531 4.273 20 30 GIEDHN C[C@H](C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210883 823873756 /nfs/dbraw/zinc/87/37/56/823873756.db2.gz GZILZWKDHOGPCM-FDDCHVKYSA-N 0 3 389.543 4.251 20 30 GIEDHN CC(C)COc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000126474177 823877773 /nfs/dbraw/zinc/87/77/73/823877773.db2.gz LFGKVBRKLJRPKP-UHFFFAOYSA-N 0 3 394.519 4.189 20 30 GIEDHN C[C@@H](C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000462272742 823908758 /nfs/dbraw/zinc/90/87/58/823908758.db2.gz VWKCWQDEVCNOKW-GOSISDBHSA-N 0 3 395.934 4.440 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000127067460 824010506 /nfs/dbraw/zinc/01/05/06/824010506.db2.gz XWJYTRHEHSBXQL-KRWDZBQOSA-N 0 3 378.359 4.055 20 30 GIEDHN COc1ccc(CN2CCC[C@H](Oc3ccccc3)C2)cc1OCCCC#N ZINC000414559470 824012659 /nfs/dbraw/zinc/01/26/59/824012659.db2.gz PWBIZULOCNMWMF-NRFANRHFSA-N 0 3 380.488 4.421 20 30 GIEDHN N#Cc1cc(Cl)cc(Br)c1NCC1(N2CCCC2)CCOCC1 ZINC000575891767 824021751 /nfs/dbraw/zinc/02/17/51/824021751.db2.gz OZHYRWLLDOXLSQ-UHFFFAOYSA-N 0 3 398.732 4.031 20 30 GIEDHN C=CCN1CCC(NC(=O)CCCSc2ccc(Br)cc2)CC1 ZINC000170982714 824027112 /nfs/dbraw/zinc/02/71/12/824027112.db2.gz GAKGDTSAUVQGSG-UHFFFAOYSA-N 0 3 397.382 4.088 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1[nH]c2ccc(F)cc2c1Cl ZINC000056016062 823079202 /nfs/dbraw/zinc/07/92/02/823079202.db2.gz DHXXOVXSZWSPHH-UHFFFAOYSA-N 0 3 398.869 4.036 20 30 GIEDHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458835303 823094991 /nfs/dbraw/zinc/09/49/91/823094991.db2.gz JXFZWEXDQNGTKW-FQEVSTJZSA-N 0 3 384.549 4.256 20 30 GIEDHN C=CCOc1ccc(CN[C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302378 823162331 /nfs/dbraw/zinc/16/23/31/823162331.db2.gz LKQXXQQKAVYEEA-VGSWGCGISA-N 0 3 382.479 4.232 20 30 GIEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)(C)C)s2)cc1 ZINC000121578904 823209848 /nfs/dbraw/zinc/20/98/48/823209848.db2.gz TWCTVWZPBDUPFA-OAHLLOKOSA-N 0 3 398.484 4.183 20 30 GIEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000121675089 823228174 /nfs/dbraw/zinc/22/81/74/823228174.db2.gz LJOYDBNLRIKLKN-DYVFJYSZSA-N 0 3 380.410 4.357 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000121730364 823238686 /nfs/dbraw/zinc/23/86/86/823238686.db2.gz CBWZXCHFFDHDGW-QFBILLFUSA-N 0 3 378.472 4.489 20 30 GIEDHN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1F ZINC000572207370 823300447 /nfs/dbraw/zinc/30/04/47/823300447.db2.gz GSCOVMBECRDERB-GFCCVEGCSA-N 0 3 386.333 4.019 20 30 GIEDHN N#CC(C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000122222321 823323960 /nfs/dbraw/zinc/32/39/60/823323960.db2.gz DUOQXQNQEPXCMD-HZSPNIEDSA-N 0 3 385.345 4.441 20 30 GIEDHN CC(C)(C)OC(=O)CSCC(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000122332775 823339290 /nfs/dbraw/zinc/33/92/90/823339290.db2.gz DYZWJQIRWQTFGG-LLVKDONJSA-N 0 3 396.921 4.201 20 30 GIEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000057942864 823349174 /nfs/dbraw/zinc/34/91/74/823349174.db2.gz WCLLCHHIAPGKIO-RBBKRZOGSA-N 0 3 397.515 4.009 20 30 GIEDHN CCc1nc(COc2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)no1 ZINC000177764967 823522499 /nfs/dbraw/zinc/52/24/99/823522499.db2.gz SBZFSCUHNIBWDR-HNNXBMFYSA-N 0 3 396.472 4.281 20 30 GIEDHN Cc1ccc(-n2cnnc2SCC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000177776449 823524442 /nfs/dbraw/zinc/52/44/42/823524442.db2.gz NBFWQPYGIDCIOM-OAHLLOKOSA-N 0 3 397.529 4.124 20 30 GIEDHN C[C@@H]1Cc2c(C#N)c(NC(=O)C(C#N)Cc3ccc(C#N)cc3)sc2[C@@H](C)C1 ZINC000410992991 823530442 /nfs/dbraw/zinc/53/04/42/823530442.db2.gz XYMZXFWIWNEAPS-GRDNDAEWSA-N 0 3 388.496 4.498 20 30 GIEDHN CCC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043712166 821444473 /nfs/dbraw/zinc/44/44/73/821444473.db2.gz BUHJICNFYUTOFC-JOCHJYFZSA-N 0 3 378.520 4.173 20 30 GIEDHN C=CCOc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1OC ZINC000181118996 821644286 /nfs/dbraw/zinc/64/42/86/821644286.db2.gz IKVRZKGQLUPOFK-UHFFFAOYSA-N 0 3 395.425 4.312 20 30 GIEDHN C=CCc1cc(CN2CCC(OCc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000181531566 821869901 /nfs/dbraw/zinc/86/99/01/821869901.db2.gz KHVXWOUKJMUTJE-UHFFFAOYSA-N 0 3 385.479 4.450 20 30 GIEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(O)c1 ZINC000181540153 821873692 /nfs/dbraw/zinc/87/36/92/821873692.db2.gz UDPFSCMLGDOWSC-CQSZACIVSA-N 0 3 383.517 4.274 20 30 GIEDHN N#Cc1ccc(CN2CCC(NCc3coc(-c4cccs4)n3)CC2)cc1 ZINC000181582077 821888154 /nfs/dbraw/zinc/88/81/54/821888154.db2.gz AMEJYLIWOTWFTC-UHFFFAOYSA-N 0 3 378.501 4.029 20 30 GIEDHN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc2ccccc21 ZINC000181663923 821930492 /nfs/dbraw/zinc/93/04/92/821930492.db2.gz XQLTXJJLRUMEEM-KRWDZBQOSA-N 0 3 395.466 4.186 20 30 GIEDHN C[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(N2CCCC2)c1 ZINC000181881693 822025437 /nfs/dbraw/zinc/02/54/37/822025437.db2.gz DVEZUVHWQZBCHT-OAHLLOKOSA-N 0 3 382.895 4.101 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955896 822045429 /nfs/dbraw/zinc/04/54/29/822045429.db2.gz MKIOXXNJODGNCG-QFBILLFUSA-N 0 3 379.460 4.129 20 30 GIEDHN CC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1c(C)noc1C ZINC000182402685 822231174 /nfs/dbraw/zinc/23/11/74/822231174.db2.gz OYCBJLHXDFGMMP-MRXNPFEDSA-N 0 3 386.521 4.173 20 30 GIEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)C(C#N)c1nc2ccccc2n1C(F)F ZINC000178103777 822320948 /nfs/dbraw/zinc/32/09/48/822320948.db2.gz UMWYTPLZYNVKIT-HNNXBMFYSA-N 0 3 394.381 4.337 20 30 GIEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000178705753 822404487 /nfs/dbraw/zinc/40/44/87/822404487.db2.gz HTBFTTWKZGZJHF-ZBEGNZNMSA-N 0 3 376.790 4.459 20 30 GIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000183098736 822424176 /nfs/dbraw/zinc/42/41/76/822424176.db2.gz VVOIKMNNTPBDPY-AUUYWEPGSA-N 0 3 385.414 4.006 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000454725006 822523964 /nfs/dbraw/zinc/52/39/64/822523964.db2.gz UUMHOIMWKRJCER-REWPJTCUSA-N 0 3 390.531 4.195 20 30 GIEDHN CCCN(C)[C@@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000455047148 822579748 /nfs/dbraw/zinc/57/97/48/822579748.db2.gz PIZFNMIWDUWLFF-SNRMKQJTSA-N 0 3 376.932 4.104 20 30 GIEDHN COc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1OC ZINC000047687932 822599765 /nfs/dbraw/zinc/59/97/65/822599765.db2.gz CPEXGPSCAUPENB-UHFFFAOYSA-N 0 3 388.467 4.444 20 30 GIEDHN Cc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)N2CCCC2)cc1 ZINC000180038761 822602379 /nfs/dbraw/zinc/60/23/79/822602379.db2.gz DOCQRTQVGKPGPH-NQIIRXRSSA-N 0 3 392.503 4.245 20 30 GIEDHN Cn1cc(CN[C@H]2CCSc3c(F)cccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180041616 822602859 /nfs/dbraw/zinc/60/28/59/822602859.db2.gz RJYJHGUAFJVKIN-IBGZPJMESA-N 0 3 378.476 4.425 20 30 GIEDHN Cc1ccc([C@H](C)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000180281033 822654258 /nfs/dbraw/zinc/65/42/58/822654258.db2.gz FKTNAIVKXVVFNQ-HNNXBMFYSA-N 0 3 375.432 4.026 20 30 GIEDHN N#Cc1ccc([C@@H](O)CN[C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327902 822664267 /nfs/dbraw/zinc/66/42/67/822664267.db2.gz RENJLTMRQXWMQE-YADHBBJMSA-N 0 3 376.431 4.141 20 30 GIEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000048829771 822685164 /nfs/dbraw/zinc/68/51/64/822685164.db2.gz INDNZJHYVMRBJW-HNNXBMFYSA-N 0 3 390.752 4.430 20 30 GIEDHN N#CCc1ccc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)c(Cl)c1 ZINC000455741965 822718019 /nfs/dbraw/zinc/71/80/19/822718019.db2.gz BFGKCHYRABOTMN-QGZVFWFLSA-N 0 3 388.924 4.426 20 30 GIEDHN COc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)cc1C#N ZINC000174324723 822771025 /nfs/dbraw/zinc/77/10/25/822771025.db2.gz COTSUSMACBUDLJ-UHFFFAOYSA-N 0 3 395.466 4.104 20 30 GIEDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372560 822779951 /nfs/dbraw/zinc/77/99/51/822779951.db2.gz ZPFQRXKQADUMPY-QGZVFWFLSA-N 0 3 383.467 4.079 20 30 GIEDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372560 822779952 /nfs/dbraw/zinc/77/99/52/822779952.db2.gz ZPFQRXKQADUMPY-QGZVFWFLSA-N 0 3 383.467 4.079 20 30 GIEDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372560 822779954 /nfs/dbraw/zinc/77/99/54/822779954.db2.gz ZPFQRXKQADUMPY-QGZVFWFLSA-N 0 3 383.467 4.079 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(Cl)c1 ZINC000052485619 822801143 /nfs/dbraw/zinc/80/11/43/822801143.db2.gz GOTDBKZREWTGIW-UHFFFAOYSA-N 0 3 376.957 4.438 20 30 GIEDHN CN(C)Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000174551827 822804062 /nfs/dbraw/zinc/80/40/62/822804062.db2.gz UNKWJMJGYLBKCQ-DEOSSOPVSA-N 0 3 399.494 4.322 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cccc(COc3ccccc3)c2C)CC1 ZINC000174998056 822865387 /nfs/dbraw/zinc/86/53/87/822865387.db2.gz LNAJCTOMARGMKE-UHFFFAOYSA-N 0 3 379.504 4.346 20 30 GIEDHN COc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1OCCCC#N ZINC000186449004 822897206 /nfs/dbraw/zinc/89/72/06/822897206.db2.gz XMTSOUZVKPDVNR-QHCPKHFHSA-N 0 3 378.472 4.009 20 30 GIEDHN COc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1OCCCC#N ZINC000186448984 822897342 /nfs/dbraw/zinc/89/73/42/822897342.db2.gz XMTSOUZVKPDVNR-HSZRJFAPSA-N 0 3 378.472 4.009 20 30 GIEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000123856999 823546530 /nfs/dbraw/zinc/54/65/30/823546530.db2.gz KWIIYBRJFFNALE-CQSZACIVSA-N 0 3 392.629 4.480 20 30 GIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(Cc3cccnc3)C3CC3)sc2C1 ZINC000411418834 823572003 /nfs/dbraw/zinc/57/20/03/823572003.db2.gz NZLJJLAWJKQRBH-HNNXBMFYSA-N 0 3 394.544 4.133 20 30 GIEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cccc(O)c1 ZINC000411450817 823575929 /nfs/dbraw/zinc/57/59/29/823575929.db2.gz GRNBDRDQHIBTRJ-KGLIPLIRSA-N 0 3 383.517 4.130 20 30 GIEDHN Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(Cl)c2)N2CCCC2)cc1 ZINC000061746661 823611418 /nfs/dbraw/zinc/61/14/18/823611418.db2.gz LOSOLEALFLUDHD-FQEVSTJZSA-N 0 3 382.895 4.479 20 30 GIEDHN COc1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1OCCCC#N ZINC000124622542 823612014 /nfs/dbraw/zinc/61/20/14/823612014.db2.gz UWTRDKAXUYEACO-XMMPIXPASA-N 0 3 394.515 4.323 20 30 GIEDHN CC(C)(C#N)c1ccccc1CN[C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412014611 823622848 /nfs/dbraw/zinc/62/28/48/823622848.db2.gz XTFBWZYVAXZXSL-QFIPXVFZSA-N 0 3 378.516 4.108 20 30 GIEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000191366293 823677133 /nfs/dbraw/zinc/67/71/33/823677133.db2.gz HXGXHZREWDVOTR-UHFFFAOYSA-N 0 3 386.927 4.029 20 30 GIEDHN C=CCOc1ccccc1CNC[C@H](O)COc1cccc(Cl)c1Cl ZINC000063566054 823679853 /nfs/dbraw/zinc/67/98/53/823679853.db2.gz LLZQMMWSBOFSLL-HNNXBMFYSA-N 0 3 382.287 4.088 20 30 GIEDHN C[C@@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739955 823690030 /nfs/dbraw/zinc/69/00/30/823690030.db2.gz ZFFHOKVUGPORLY-YLJYHZDGSA-N 0 3 381.545 4.313 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC1CCC(F)(F)CC1 ZINC000412984372 823697425 /nfs/dbraw/zinc/69/74/25/823697425.db2.gz CBEWDSYTGXDNLH-UHFFFAOYSA-N 0 3 384.540 4.410 20 30 GIEDHN N#CC(CCN1CCCN(CC(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000191603998 823710251 /nfs/dbraw/zinc/71/02/51/823710251.db2.gz LVOMQGBPGGTQQD-UHFFFAOYSA-N 0 3 383.486 4.159 20 30 GIEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000164403849 823801358 /nfs/dbraw/zinc/80/13/58/823801358.db2.gz JZQJXWKLKBZQAZ-GOSISDBHSA-N 0 3 383.492 4.413 20 30 GIEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000064483082 823828458 /nfs/dbraw/zinc/82/84/58/823828458.db2.gz WELLNDYYTNUWDN-KRWDZBQOSA-N 0 3 383.536 4.169 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2sccc2c1 ZINC000462159270 823848824 /nfs/dbraw/zinc/84/88/24/823848824.db2.gz VUSDAYGJJUMOJX-UHFFFAOYSA-N 0 3 392.528 4.046 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccc(OC(C)C)n2)cc1 ZINC000168061916 823899573 /nfs/dbraw/zinc/89/95/73/823899573.db2.gz SMJUPIKGISLSCL-CRAIPNDOSA-N 0 3 379.460 4.343 20 30 GIEDHN Cc1oc(-c2ccsc2)nc1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000170709648 823950032 /nfs/dbraw/zinc/95/00/32/823950032.db2.gz CDYNOQDUVKRPKG-HNNXBMFYSA-N 0 3 399.859 4.255 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccc3ccccc3c2)c1 ZINC000127115465 824020450 /nfs/dbraw/zinc/02/04/50/824020450.db2.gz DHIKEYFEVQXDBQ-HXUWFJFHSA-N 0 3 390.464 4.288 20 30 GIEDHN C=CCOc1ccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127140165 824024597 /nfs/dbraw/zinc/02/45/97/824024597.db2.gz SDUYVNXMDGSSMZ-KRWDZBQOSA-N 0 3 378.476 4.034 20 30 GIEDHN CCSc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000171036675 824044117 /nfs/dbraw/zinc/04/41/17/824044117.db2.gz XHXQOUALVNTOAO-LBPRGKRZSA-N 0 3 394.283 4.462 20 30 GIEDHN N#CC1(c2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2)CCC1 ZINC001164996330 722199872 /nfs/dbraw/zinc/19/98/72/722199872.db2.gz UBXFHDVHAYJKCT-DEOSSOPVSA-N 0 3 390.506 4.411 20 30 GIEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccc(C)c1 ZINC000120795118 823065649 /nfs/dbraw/zinc/06/56/49/823065649.db2.gz ZISZTQIBWLAADJ-HNNXBMFYSA-N 0 3 397.529 4.007 20 30 GIEDHN COc1cccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000175945022 823078550 /nfs/dbraw/zinc/07/85/50/823078550.db2.gz NHPAYJNVKNSTCS-BLLLJJGKSA-N 0 3 388.826 4.329 20 30 GIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000175961484 823083048 /nfs/dbraw/zinc/08/30/48/823083048.db2.gz JDMMKQDNHIKUEI-UHFFFAOYSA-N 0 3 386.521 4.003 20 30 GIEDHN N#CCCC[C@@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000458803291 823088461 /nfs/dbraw/zinc/08/84/61/823088461.db2.gz QXMXUIRZGGBEAH-HSZRJFAPSA-N 0 3 390.531 4.339 20 30 GIEDHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458835304 823094956 /nfs/dbraw/zinc/09/49/56/823094956.db2.gz JXFZWEXDQNGTKW-HXUWFJFHSA-N 0 3 384.549 4.256 20 30 GIEDHN C=CCC1(CNC(=O)N2CC[C@H](CN(C)Cc3scnc3C)C2)CCCC1 ZINC000459094589 823127460 /nfs/dbraw/zinc/12/74/60/823127460.db2.gz HJGYJRQWDMQRLV-GOSISDBHSA-N 0 3 390.597 4.051 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(Br)cc1 ZINC000176517413 823227223 /nfs/dbraw/zinc/22/72/23/823227223.db2.gz JMRUJZSLKYREON-OAHLLOKOSA-N 0 3 382.261 4.145 20 30 GIEDHN COc1cc(CC2CN(Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000459600477 823227949 /nfs/dbraw/zinc/22/79/49/823227949.db2.gz ABVQJIXLCFRXBU-UHFFFAOYSA-N 0 3 380.488 4.061 20 30 GIEDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007855230 817939929 /nfs/dbraw/zinc/93/99/29/817939929.db2.gz GBDYLBXEXPGUQA-SFHVURJKSA-N 0 3 382.533 4.003 20 30 GIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)C2CCCCC2)c1C#N ZINC000008142387 818006788 /nfs/dbraw/zinc/00/67/88/818006788.db2.gz MSTRPBCPHGOHDH-UHFFFAOYSA-N 0 3 378.520 4.228 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccc(Cn3cccn3)cc2)ccc1OC ZINC000057960404 823350729 /nfs/dbraw/zinc/35/07/29/823350729.db2.gz RVTHQCFWHZQGGS-UHFFFAOYSA-N 0 3 377.488 4.185 20 30 GIEDHN C=C(C)COc1cc(CN[C@@H](C)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000057967832 823351275 /nfs/dbraw/zinc/35/12/75/823351275.db2.gz WVNIBQHEMQPZQA-KRWDZBQOSA-N 0 3 396.487 4.458 20 30 GIEDHN C=C(C)COc1cc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)ccc1OC ZINC000057967787 823351337 /nfs/dbraw/zinc/35/13/37/823351337.db2.gz PUAAILPHGFDHRI-KRWDZBQOSA-N 0 3 396.487 4.458 20 30 GIEDHN C=CCc1cc(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)cc(OC)c1OC ZINC000022684388 818842973 /nfs/dbraw/zinc/84/29/73/818842973.db2.gz SZADJHAEMXMAGI-NRFANRHFSA-N 0 3 396.531 4.027 20 30 GIEDHN C=CCN1CCC(NC(=O)N(C)[C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000177247866 823408965 /nfs/dbraw/zinc/40/89/65/823408965.db2.gz DMLJMDRHTXRZJH-QGZVFWFLSA-N 0 3 398.576 4.471 20 30 GIEDHN CC[C@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000460580074 823442937 /nfs/dbraw/zinc/44/29/37/823442937.db2.gz VINPJHRJLOCCLB-IBGZPJMESA-N 0 3 394.567 4.032 20 30 GIEDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000026644934 820127997 /nfs/dbraw/zinc/12/79/97/820127997.db2.gz LJULGWRISJLQOE-UHFFFAOYSA-N 0 3 389.499 4.099 20 30 GIEDHN C=CCOc1cccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1 ZINC000123186008 823475526 /nfs/dbraw/zinc/47/55/26/823475526.db2.gz DRKVFEXPTIDWJI-UHFFFAOYSA-N 0 3 378.516 4.088 20 30 GIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000177756186 823521420 /nfs/dbraw/zinc/52/14/20/823521420.db2.gz ZDBUOQCAQJVHFG-INIZCTEOSA-N 0 3 383.517 4.419 20 30 GIEDHN CN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCSC1 ZINC000123689169 823531836 /nfs/dbraw/zinc/53/18/36/823531836.db2.gz BWMYABXUPAPKSY-CABCVRRESA-N 0 3 391.949 4.077 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1cccc(Cl)c1 ZINC000041494404 821198130 /nfs/dbraw/zinc/19/81/30/821198130.db2.gz CENMTIUYINTTSM-OAHLLOKOSA-N 0 3 375.819 4.201 20 30 GIEDHN CC(C)(C)OC(=O)Nc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496048 821199235 /nfs/dbraw/zinc/19/92/35/821199235.db2.gz ZCCIDXKUNLZGGT-HNNXBMFYSA-N 0 3 376.416 4.400 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000041560608 821211437 /nfs/dbraw/zinc/21/14/37/821211437.db2.gz XJPRFBRGYHKWFD-INIZCTEOSA-N 0 3 399.376 4.096 20 30 GIEDHN CN(C)Cc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC000042917412 821344363 /nfs/dbraw/zinc/34/43/63/821344363.db2.gz CPQNFIYRLJSYDM-UHFFFAOYSA-N 0 3 385.467 4.451 20 30 GIEDHN N#CCCCOc1cccc(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000180798037 821464199 /nfs/dbraw/zinc/46/41/99/821464199.db2.gz HNRNQFKXIOWRPC-QGZVFWFLSA-N 0 3 392.425 4.422 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810915 821472399 /nfs/dbraw/zinc/47/23/99/821472399.db2.gz SMIYDCOSMBKNJD-APWZRJJASA-N 0 3 396.487 4.388 20 30 GIEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 ZINC000180816762 821477212 /nfs/dbraw/zinc/47/72/12/821477212.db2.gz XBPCYILNLXDWJA-YLJYHZDGSA-N 0 3 378.472 4.239 20 30 GIEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181012068 821592281 /nfs/dbraw/zinc/59/22/81/821592281.db2.gz ALCBHPIGOPFHPU-NSHDSACASA-N 0 3 383.181 4.162 20 30 GIEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000181012663 821592879 /nfs/dbraw/zinc/59/28/79/821592879.db2.gz DTGIHDXVVFZYMU-CYBMUJFWSA-N 0 3 383.181 4.162 20 30 GIEDHN CC(C)COC[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181644121 821919806 /nfs/dbraw/zinc/91/98/06/821919806.db2.gz MYAMROSLKVQHRE-JOCHJYFZSA-N 0 3 381.520 4.119 20 30 GIEDHN C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc2ccccc21 ZINC000181663945 821931115 /nfs/dbraw/zinc/93/11/15/821931115.db2.gz XQLTXJJLRUMEEM-QGZVFWFLSA-N 0 3 395.466 4.186 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H](C)c2ccc(C)cc2)c1C#N ZINC000182334772 822206164 /nfs/dbraw/zinc/20/61/64/822206164.db2.gz XHYXUQZSYHWYPM-KRWDZBQOSA-N 0 3 390.487 4.216 20 30 GIEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000178176654 822343289 /nfs/dbraw/zinc/34/32/89/822343289.db2.gz GZOQJUXRIJUCQY-SJORKVTESA-N 0 3 385.533 4.001 20 30 GIEDHN CC(C)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000045151506 822366146 /nfs/dbraw/zinc/36/61/46/822366146.db2.gz QSOYENIJFFHLMT-QFIPXVFZSA-N 0 3 396.510 4.168 20 30 GIEDHN COCCCOc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182939466 822396617 /nfs/dbraw/zinc/39/66/17/822396617.db2.gz KSEDRIJHQQXNER-UHFFFAOYSA-N 0 3 379.504 4.050 20 30 GIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110147 822425804 /nfs/dbraw/zinc/42/58/04/822425804.db2.gz QLYAUQPJLIEXCQ-HOYKHHGWSA-N 0 3 396.494 4.466 20 30 GIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110128 822425833 /nfs/dbraw/zinc/42/58/33/822425833.db2.gz QLYAUQPJLIEXCQ-MHECFPHRSA-N 0 3 396.494 4.466 20 30 GIEDHN N#CC(C(=O)CCCOc1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000046441206 822473230 /nfs/dbraw/zinc/47/32/30/822473230.db2.gz PACVTQGWVUMISR-HNNXBMFYSA-N 0 3 398.260 4.361 20 30 GIEDHN COc1ccc([C@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000179686967 822527371 /nfs/dbraw/zinc/52/73/71/822527371.db2.gz WZMSWHJIIKHIAB-ZUOKHONESA-N 0 3 395.528 4.185 20 30 GIEDHN C=CCN1CCC(NC(=O)NCc2c(OC(C)C)ccc3ccccc32)CC1 ZINC000183950864 822552542 /nfs/dbraw/zinc/55/25/42/822552542.db2.gz MVTDFAFRCVWOPB-UHFFFAOYSA-N 0 3 381.520 4.077 20 30 GIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969654 822587732 /nfs/dbraw/zinc/58/77/32/822587732.db2.gz POEPJSDBJKRRAY-AUUYWEPGSA-N 0 3 385.414 4.006 20 30 GIEDHN Cn1cc(CN2CCC(Oc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180011137 822595976 /nfs/dbraw/zinc/59/59/76/822595976.db2.gz FVCWQASDADFNNY-UHFFFAOYSA-N 0 3 390.462 4.141 20 30 GIEDHN CSCc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000184778450 822689633 /nfs/dbraw/zinc/68/96/33/822689633.db2.gz KQYFSBJOTFHINE-UHFFFAOYSA-N 0 3 382.533 4.017 20 30 GIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455698758 822705597 /nfs/dbraw/zinc/70/55/97/822705597.db2.gz GKMHBYJQBZGZLJ-UHFFFAOYSA-N 0 3 388.874 4.141 20 30 GIEDHN C[C@@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1Cc1ccccc1 ZINC000455733659 822716601 /nfs/dbraw/zinc/71/66/01/822716601.db2.gz NVOLVZVCTSISBO-DNVCBOLYSA-N 0 3 382.895 4.191 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)NC1CCCCC1 ZINC000050680365 822735959 /nfs/dbraw/zinc/73/59/59/822735959.db2.gz URQJEWDIPOMQJR-MRXNPFEDSA-N 0 3 399.878 4.085 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(-c2ccco2)on1 ZINC000052485657 822801094 /nfs/dbraw/zinc/80/10/94/822801094.db2.gz SAWDMXQCLYURNL-UHFFFAOYSA-N 0 3 399.520 4.033 20 30 GIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2COc3ccccc32)ccc1Cl ZINC000185641692 822805924 /nfs/dbraw/zinc/80/59/24/822805924.db2.gz UHKKJAFKXQUQDO-VQIMIIECSA-N 0 3 397.906 4.049 20 30 GIEDHN C=CCNC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2CN(C)C)cc1 ZINC000175204909 822903725 /nfs/dbraw/zinc/90/37/25/822903725.db2.gz PMFFRKZLRYWRJI-UHFFFAOYSA-N 0 3 392.459 4.054 20 30 GIEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc(Br)cc1F ZINC000569534300 822936103 /nfs/dbraw/zinc/93/61/03/822936103.db2.gz WARTYFGGMQWPEB-LBPRGKRZSA-N 0 3 393.256 4.198 20 30 GIEDHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000569598319 822943276 /nfs/dbraw/zinc/94/32/76/822943276.db2.gz OQRCNRZDEUJXJJ-AWEZNQCLSA-N 0 3 398.304 4.317 20 30 GIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747409 822962826 /nfs/dbraw/zinc/96/28/26/822962826.db2.gz WONQQGFLVTURJI-JWQCQUIFSA-N 0 3 395.506 4.063 20 30 GIEDHN N#CCSc1cccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000175697432 823022677 /nfs/dbraw/zinc/02/26/77/823022677.db2.gz QPVMPBCVCKYEPS-HXUWFJFHSA-N 0 3 379.529 4.087 20 30 GIEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@H]1C(F)(F)F ZINC000190176394 823546364 /nfs/dbraw/zinc/54/63/64/823546364.db2.gz UHXGRMAKKGUXPU-OAHLLOKOSA-N 0 3 399.482 4.347 20 30 GIEDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000060659165 823550830 /nfs/dbraw/zinc/55/08/30/823550830.db2.gz NHRNOEYCDBWLNH-IBGZPJMESA-N 0 3 396.560 4.393 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCc2nc(C3CC3)no2)cc1 ZINC000124098185 823567484 /nfs/dbraw/zinc/56/74/84/823567484.db2.gz BXFINHIGAULGIC-KDOFPFPSSA-N 0 3 394.475 4.131 20 30 GIEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609876 823591345 /nfs/dbraw/zinc/59/13/45/823591345.db2.gz NFXNVBFFJBZBBY-UXHICEINSA-N 0 3 399.441 4.001 20 30 GIEDHN CC(C)COc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627060 823593273 /nfs/dbraw/zinc/59/32/73/823593273.db2.gz QAFZHTNIZCXISU-JPYJTQIMSA-N 0 3 391.515 4.045 20 30 GIEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630485 823593569 /nfs/dbraw/zinc/59/35/69/823593569.db2.gz RCRDISLZIPJBHI-MHECFPHRSA-N 0 3 396.494 4.072 20 30 GIEDHN C=C[C@@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1 ZINC000124650535 823614280 /nfs/dbraw/zinc/61/42/80/823614280.db2.gz JPMKRSNGWMDCMW-NRFANRHFSA-N 0 3 378.516 4.189 20 30 GIEDHN CSc1ccccc1OC[C@@H](O)CN(Cc1ccc(C#N)c(F)c1)C(C)C ZINC000411985044 823618115 /nfs/dbraw/zinc/61/81/15/823618115.db2.gz NNHFYOXBFQSTDW-SFHVURJKSA-N 0 3 388.508 4.070 20 30 GIEDHN CC(C)(C)[C@H]1CCc2sc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108291 823652231 /nfs/dbraw/zinc/65/22/31/823652231.db2.gz QDMYHSDINXHIRT-LSDHHAIUSA-N 0 3 381.501 4.255 20 30 GIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C ZINC000063400424 823668022 /nfs/dbraw/zinc/66/80/22/823668022.db2.gz GXEIRBZQYBPPBU-QHCPKHFHSA-N 0 3 390.531 4.121 20 30 GIEDHN COCCN(CCC(=O)Nc1cccc2ccccc21)Cc1ccc(C#N)cc1 ZINC000063753966 823693483 /nfs/dbraw/zinc/69/34/83/823693483.db2.gz OUABXBRTATVMEF-UHFFFAOYSA-N 0 3 387.483 4.189 20 30 GIEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125825234 823721067 /nfs/dbraw/zinc/72/10/67/823721067.db2.gz HJHSRFOEVDUIRG-IBGZPJMESA-N 0 3 387.321 4.416 20 30 GIEDHN Cc1nc(NC2CCN(CCOc3ccc(F)cc3)CC2)c(Cl)cc1C#N ZINC000461956383 823771022 /nfs/dbraw/zinc/77/10/22/823771022.db2.gz KRKQEJQPSKZZRZ-UHFFFAOYSA-N 0 3 388.874 4.010 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccc(F)cc3)c2CCC)CC1 ZINC000191952477 823822010 /nfs/dbraw/zinc/82/20/10/823822010.db2.gz SCWHCEGMYCFKAX-UHFFFAOYSA-N 0 3 399.514 4.126 20 30 GIEDHN C=CC[C@H](Cc1ccccc1)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000413826515 823846139 /nfs/dbraw/zinc/84/61/39/823846139.db2.gz ICJPLGYDXWYKLU-HSZRJFAPSA-N 0 3 391.559 4.480 20 30 GIEDHN COc1ccc(CNCc2ccnc(N3CCCCC3)c2)cc1OCCCC#N ZINC000064614123 823852950 /nfs/dbraw/zinc/85/29/50/823852950.db2.gz WRHYNFKEOFNWOC-UHFFFAOYSA-N 0 3 394.519 4.053 20 30 GIEDHN C[C@H](C(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000462272744 823909145 /nfs/dbraw/zinc/90/91/45/823909145.db2.gz VWKCWQDEVCNOKW-SFHVURJKSA-N 0 3 395.934 4.440 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000171022344 824040148 /nfs/dbraw/zinc/04/01/48/824040148.db2.gz KKYBYIXXDOCISR-UHFFFAOYSA-N 0 3 398.510 4.188 20 30 GIEDHN CSc1ccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)N(C)C)cc1 ZINC000458580583 823059262 /nfs/dbraw/zinc/05/92/62/823059262.db2.gz OCUVOKJQVFUTFE-NHCUHLMSSA-N 0 3 396.560 4.355 20 30 GIEDHN C=C(C)CCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000458995568 823114053 /nfs/dbraw/zinc/11/40/53/823114053.db2.gz HJNTZDGELCBMOQ-UHFFFAOYSA-N 0 3 394.357 4.021 20 30 GIEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000121357297 823169810 /nfs/dbraw/zinc/16/98/10/823169810.db2.gz PGQYPUVMDJYWTE-GOSISDBHSA-N 0 3 392.434 4.136 20 30 GIEDHN CC(C)Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccsc2)cc1C#N ZINC000459452186 823194909 /nfs/dbraw/zinc/19/49/09/823194909.db2.gz BKGNKHKJRQCGTE-UHFFFAOYSA-N 0 3 386.521 4.003 20 30 GIEDHN N#CCc1ccc(OC[C@@H](O)CN2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459566665 823221474 /nfs/dbraw/zinc/22/14/74/823221474.db2.gz HTGUAWXGLFRFAV-JTHBVZDNSA-N 0 3 376.500 4.110 20 30 GIEDHN CCN(C(=O)Nc1snc(C)c1C#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000459598629 823227557 /nfs/dbraw/zinc/22/75/57/823227557.db2.gz YYARRHBMFGKTDH-NVXWUHKLSA-N 0 3 383.521 4.013 20 30 GIEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121676295 823228413 /nfs/dbraw/zinc/22/84/13/823228413.db2.gz SRXSZDHBRXKZFH-GUYCJALGSA-N 0 3 380.410 4.042 20 30 GIEDHN C=CCc1cc(CN2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1O ZINC000459655754 823241511 /nfs/dbraw/zinc/24/15/11/823241511.db2.gz VCCCGUAKPGJLFP-SFHVURJKSA-N 0 3 399.453 4.310 20 30 GIEDHN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)n1 ZINC000007743882 817907007 /nfs/dbraw/zinc/90/70/07/817907007.db2.gz SUWLPWSELQGUEA-AWEZNQCLSA-N 0 3 384.486 4.087 20 30 GIEDHN N#Cc1ccc(CN2CCCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000022850324 818867210 /nfs/dbraw/zinc/86/72/10/818867210.db2.gz LHOBJNKKVIFDKM-UHFFFAOYSA-N 0 3 384.321 4.029 20 30 GIEDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2SCc2ccc(C#N)cc2)CN1C1CC1 ZINC000177159968 823386881 /nfs/dbraw/zinc/38/68/81/823386881.db2.gz VKLLNFPLQVRATQ-VQIMIIECSA-N 0 3 391.540 4.206 20 30 GIEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@H]1CCOC(C)(C)C1 ZINC000572890861 823414919 /nfs/dbraw/zinc/41/49/19/823414919.db2.gz OHLMEABAGFZZPS-SFHVURJKSA-N 0 3 391.943 4.175 20 30 GIEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000122890140 823429313 /nfs/dbraw/zinc/42/93/13/823429313.db2.gz CBYCMYQRBJHDNM-HNNXBMFYSA-N 0 3 376.382 4.222 20 30 GIEDHN CC(C)[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000027449837 820246298 /nfs/dbraw/zinc/24/62/98/820246298.db2.gz ZOCZEUCHIOXPNC-OAQYLSRUSA-N 0 3 388.433 4.160 20 30 GIEDHN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1I ZINC000573292131 823477050 /nfs/dbraw/zinc/47/70/50/823477050.db2.gz PDGYPXSMJTWFTB-SFHVURJKSA-N 0 3 388.252 4.248 20 30 GIEDHN C=CCC[C@@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000190003716 823524342 /nfs/dbraw/zinc/52/43/42/823524342.db2.gz JHDBRKDJIKZADL-XMMPIXPASA-N 0 3 392.543 4.010 20 30 GIEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000042958783 821349356 /nfs/dbraw/zinc/34/93/56/821349356.db2.gz QMGFJPHQSQMHIY-UHFFFAOYSA-N 0 3 385.467 4.451 20 30 GIEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524852 821866661 /nfs/dbraw/zinc/86/66/61/821866661.db2.gz AUCDCXXBSHUYHN-BBRMVZONSA-N 0 3 390.833 4.022 20 30 GIEDHN C[C@@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(OCC#N)cc1 ZINC000181547441 821876076 /nfs/dbraw/zinc/87/60/76/821876076.db2.gz HTRFLWHHASHKKF-QGZVFWFLSA-N 0 3 386.455 4.087 20 30 GIEDHN COc1ccc(CNCc2cn(C)nc2-c2ccccc2)cc1OCCCC#N ZINC000181826622 822008579 /nfs/dbraw/zinc/00/85/79/822008579.db2.gz YNXYNGLIODLNGF-UHFFFAOYSA-N 0 3 390.487 4.068 20 30 GIEDHN CC(C)C[C@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872837 822022295 /nfs/dbraw/zinc/02/22/95/822022295.db2.gz MVSNGMBGDRKVRQ-HKUYNNGSSA-N 0 3 381.442 4.191 20 30 GIEDHN Cc1oc(NC(=O)[C@H](C)N[C@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887493 822027132 /nfs/dbraw/zinc/02/71/32/822027132.db2.gz OLEDWVLDUQIILV-CVEARBPZSA-N 0 3 380.492 4.046 20 30 GIEDHN CC(C)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045150043 822366031 /nfs/dbraw/zinc/36/60/31/822366031.db2.gz JQBHXHVWXOYDLJ-JOCHJYFZSA-N 0 3 378.520 4.029 20 30 GIEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)s1 ZINC000178705796 822404475 /nfs/dbraw/zinc/40/44/75/822404475.db2.gz IELSCYNYVQZZAP-LBPRGKRZSA-N 0 3 381.429 4.036 20 30 GIEDHN CC(C)(C)OC(=O)N1CCC(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000179307260 822463729 /nfs/dbraw/zinc/46/37/29/822463729.db2.gz SZGSOKXXPULCDA-OAHLLOKOSA-N 0 3 383.448 4.041 20 30 GIEDHN COc1ccc(OC(C)C)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179796407 822554629 /nfs/dbraw/zinc/55/46/29/822554629.db2.gz IWBJPYFEOQULFT-UHFFFAOYSA-N 0 3 379.504 4.431 20 30 GIEDHN Cn1cc(CN2CCC(Nc3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179949818 822583944 /nfs/dbraw/zinc/58/39/44/822583944.db2.gz GZBGQAAFAKFOSO-UHFFFAOYSA-N 0 3 389.478 4.174 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNCc3ccc4c(c3)OCCO4)c2)c1 ZINC000047688404 822599901 /nfs/dbraw/zinc/59/99/01/822599901.db2.gz GFOIRKCYQSEENI-UHFFFAOYSA-N 0 3 386.451 4.198 20 30 GIEDHN Cn1cc(CN[C@@H]2CCSc3c(F)cccc32)c(-c2ccc(C#N)cc2)n1 ZINC000180041603 822602897 /nfs/dbraw/zinc/60/28/97/822602897.db2.gz RJYJHGUAFJVKIN-LJQANCHMSA-N 0 3 378.476 4.425 20 30 GIEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc(SCC#N)c1 ZINC000184844292 822698978 /nfs/dbraw/zinc/69/89/78/822698978.db2.gz SOWRWTKTOMUVNH-OAQYLSRUSA-N 0 3 381.545 4.189 20 30 GIEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CN1Cc1ccccc1 ZINC000455696286 822704838 /nfs/dbraw/zinc/70/48/38/822704838.db2.gz BZFGPNCUDXYVSB-QAPCUYQASA-N 0 3 382.895 4.191 20 30 GIEDHN N#CCc1ccc(NC(=O)NC[C@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000455749821 822719413 /nfs/dbraw/zinc/71/94/13/822719413.db2.gz KXCMKBVYRDPXFR-HXUWFJFHSA-N 0 3 382.895 4.365 20 30 GIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)ccc1Cl ZINC000185641629 822805876 /nfs/dbraw/zinc/80/58/76/822805876.db2.gz UHKKJAFKXQUQDO-LPHOPBHVSA-N 0 3 397.906 4.049 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175110267 822884090 /nfs/dbraw/zinc/88/40/90/822884090.db2.gz OKOZZXFTNBYQJK-NEPJUHHUSA-N 0 3 376.865 4.251 20 30 GIEDHN N#Cc1csc(CNCc2cccc(-c3nc(CC(F)(F)F)no3)c2)c1 ZINC000569175298 822888829 /nfs/dbraw/zinc/88/88/29/822888829.db2.gz GJWYMOMZNYCNGL-UHFFFAOYSA-N 0 3 378.379 4.064 20 30 GIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)CC2 ZINC000569747410 822962685 /nfs/dbraw/zinc/96/26/85/822962685.db2.gz WONQQGFLVTURJI-LOSJGSFVSA-N 0 3 395.506 4.063 20 30 GIEDHN CCCCSCCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000124012139 823559990 /nfs/dbraw/zinc/55/99/90/823559990.db2.gz LYHCKEVYWYUOOP-ZDUSSCGKSA-N 0 3 382.913 4.228 20 30 GIEDHN Cc1ccc2ncc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2c1 ZINC000411363147 823566533 /nfs/dbraw/zinc/56/65/33/823566533.db2.gz XHCBWRNIMZIQKT-UHFFFAOYSA-N 0 3 384.483 4.266 20 30 GIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(Cc3ccncc3)C3CC3)sc2C1 ZINC000411422017 823572233 /nfs/dbraw/zinc/57/22/33/823572233.db2.gz SDOPYARXVZSURL-HNNXBMFYSA-N 0 3 394.544 4.133 20 30 GIEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccccc2s1 ZINC000190623227 823592776 /nfs/dbraw/zinc/59/27/76/823592776.db2.gz IHNAACNWVRRQQH-BEFAXECRSA-N 0 3 375.497 4.225 20 30 GIEDHN C[C@@H](NC(=O)Nc1ccc(CCN2CCSCC2)cc1)c1ccc(C#N)cc1 ZINC000061790879 823614660 /nfs/dbraw/zinc/61/46/60/823614660.db2.gz WLGFYXMDROFIPU-QGZVFWFLSA-N 0 3 394.544 4.032 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)c(F)cc2C)CC1 ZINC000190893829 823620771 /nfs/dbraw/zinc/62/07/71/823620771.db2.gz KJNOOIGCQUYWSG-UHFFFAOYSA-N 0 3 384.293 4.059 20 30 GIEDHN N#CC(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1cnc2ccccc2n1 ZINC000190915105 823623627 /nfs/dbraw/zinc/62/36/27/823623627.db2.gz JFAPRRUQXMZJKQ-MRXNPFEDSA-N 0 3 381.395 4.047 20 30 GIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000125424892 823675146 /nfs/dbraw/zinc/67/51/46/823675146.db2.gz XKAXLGRHUFSAIG-SFHVURJKSA-N 0 3 381.545 4.447 20 30 GIEDHN Cc1ccc(CN2CCSCC2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000125425088 823675162 /nfs/dbraw/zinc/67/51/62/823675162.db2.gz XKAXLGRHUFSAIG-GOSISDBHSA-N 0 3 381.545 4.447 20 30 GIEDHN C=CCN1CCC(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000191366269 823677121 /nfs/dbraw/zinc/67/71/21/823677121.db2.gz BGXLBISYZQCZJE-UHFFFAOYSA-N 0 3 393.409 4.049 20 30 GIEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000461698901 823683351 /nfs/dbraw/zinc/68/33/51/823683351.db2.gz UGRZAXJKXZGNOM-IBGZPJMESA-N 0 3 394.494 4.370 20 30 GIEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000063667797 823687875 /nfs/dbraw/zinc/68/78/75/823687875.db2.gz SMWJWUIPRVBYIG-JOCHJYFZSA-N 0 3 393.506 4.347 20 30 GIEDHN Cn1cc(CN[C@@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1C#N ZINC000191618858 823714970 /nfs/dbraw/zinc/71/49/70/823714970.db2.gz AAEIUCGUVIQLJC-HXUWFJFHSA-N 0 3 380.492 4.411 20 30 GIEDHN Cn1cc(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000191662904 823726840 /nfs/dbraw/zinc/72/68/40/823726840.db2.gz WHIYQYUBBQTPFL-QGZVFWFLSA-N 0 3 376.426 4.369 20 30 GIEDHN C=CCSc1ccccc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000064129710 823752439 /nfs/dbraw/zinc/75/24/39/823752439.db2.gz RFKSMEJDHQRIFV-UHFFFAOYSA-N 0 3 387.593 4.101 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175789 823854861 /nfs/dbraw/zinc/85/48/61/823854861.db2.gz AIYOHTHWIFTSCM-KBMIEXCESA-N 0 3 395.506 4.476 20 30 GIEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2cccc(F)c2)sc2c1CCC2 ZINC000165627875 823855934 /nfs/dbraw/zinc/85/59/34/823855934.db2.gz DVNBMLJFILOEFE-GOSISDBHSA-N 0 3 383.492 4.413 20 30 GIEDHN N#Cc1c(NC(=O)CCN2CCC[C@H]2c2cccc(F)c2)sc2c1CCC2 ZINC000165627751 823855954 /nfs/dbraw/zinc/85/59/54/823855954.db2.gz DVNBMLJFILOEFE-SFHVURJKSA-N 0 3 383.492 4.413 20 30 GIEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000167805218 823895933 /nfs/dbraw/zinc/89/59/33/823895933.db2.gz HMLXZRHJVNRTKP-LBPRGKRZSA-N 0 3 392.242 4.137 20 30 GIEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(F)cc(F)c1 ZINC000126575039 823903476 /nfs/dbraw/zinc/90/34/76/823903476.db2.gz HWVXXFQOPFMBQC-AWEZNQCLSA-N 0 3 382.338 4.241 20 30 GIEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000126583987 823905616 /nfs/dbraw/zinc/90/56/16/823905616.db2.gz DQTXQXBHMIISFD-GFCCVEGCSA-N 0 3 382.338 4.241 20 30 GIEDHN N#CC(C(=O)CCCSc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000126827148 823960725 /nfs/dbraw/zinc/96/07/25/823960725.db2.gz OGRJBZUTJGLFAX-GOSISDBHSA-N 0 3 386.904 4.238 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccc(-c3ccccc3F)o2)c1 ZINC000127067224 824010625 /nfs/dbraw/zinc/01/06/25/824010625.db2.gz ORCCJPSWDVNSRC-MRXNPFEDSA-N 0 3 378.359 4.055 20 30 GIEDHN N#Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726935 720471801 /nfs/dbraw/zinc/47/18/01/720471801.db2.gz MZSHKVDKWJONAI-SFTDATJTSA-N 0 3 389.890 4.008 20 30 GIEDHN C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000458779640 823084635 /nfs/dbraw/zinc/08/46/35/823084635.db2.gz RQENMLBOQOGAPB-VLCRHTCISA-N 0 3 378.520 4.412 20 30 GIEDHN C=CCOc1ccccc1CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000176192199 823149378 /nfs/dbraw/zinc/14/93/78/823149378.db2.gz ZGYJGBRKCBMVRN-UHFFFAOYSA-N 0 3 393.531 4.057 20 30 GIEDHN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121676454 823228510 /nfs/dbraw/zinc/22/85/10/823228510.db2.gz SRXSZDHBRXKZFH-DYVFJYSZSA-N 0 3 380.410 4.042 20 30 GIEDHN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121675789 823228530 /nfs/dbraw/zinc/22/85/30/823228530.db2.gz NZDBIQIWOLIGIX-DYVFJYSZSA-N 0 3 380.410 4.042 20 30 GIEDHN C[C@@H](N[C@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473386 823346269 /nfs/dbraw/zinc/34/62/69/823346269.db2.gz RYIKTDNXDREJNA-UTKZUKDTSA-N 0 3 394.494 4.022 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccccc2Cn2cccn2)ccc1OC ZINC000057960198 823350418 /nfs/dbraw/zinc/35/04/18/823350418.db2.gz WXVMVIYCBCMPHE-UHFFFAOYSA-N 0 3 377.488 4.185 20 30 GIEDHN N#Cc1ccc(CN2CCCN(c3cc4ccccc4c(Cl)n3)CC2)cc1 ZINC000022977708 818882701 /nfs/dbraw/zinc/88/27/01/818882701.db2.gz DEHRKFYVIFQRCX-UHFFFAOYSA-N 0 3 376.891 4.472 20 30 GIEDHN Cc1cccc(N2CCN(Cc3ccc(NC[C@@H](C#N)CCC#N)cc3)CC2)c1 ZINC000573084006 823445635 /nfs/dbraw/zinc/44/56/35/823445635.db2.gz QTQOVEPXUMURMG-JOCHJYFZSA-N 0 3 387.531 4.173 20 30 GIEDHN CCOc1ccc([C@H](NCC(=O)Nc2cccc(C#N)c2)C(C)C)cc1OCC ZINC000027379446 820235264 /nfs/dbraw/zinc/23/52/64/820235264.db2.gz ROCQSGWQWFDYLQ-HSZRJFAPSA-N 0 3 395.503 4.281 20 30 GIEDHN N#CC1(CCCN[C@@H](C(=O)Nc2ccccc2)c2ccccc2)CCOCC1 ZINC000410420909 823492268 /nfs/dbraw/zinc/49/22/68/823492268.db2.gz KTRCHBKBICUXTL-OAQYLSRUSA-N 0 3 377.488 4.057 20 30 GIEDHN CN(C)Cc1ccccc1CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000033221802 821050735 /nfs/dbraw/zinc/05/07/35/821050735.db2.gz DQIABGLCFBFXRN-UHFFFAOYSA-N 0 3 399.494 4.129 20 30 GIEDHN C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)C(C#N)Cc3ccc(C#N)cc3)sc21 ZINC000410992993 823530319 /nfs/dbraw/zinc/53/03/19/823530319.db2.gz XYMZXFWIWNEAPS-VBQJREDUSA-N 0 3 388.496 4.498 20 30 GIEDHN CC(C)n1nc(C(=O)C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504849 821200570 /nfs/dbraw/zinc/20/05/70/821200570.db2.gz SLPLJAHTBAUAJW-HNNXBMFYSA-N 0 3 388.452 4.077 20 30 GIEDHN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)nc(C)n1 ZINC000041562986 821212074 /nfs/dbraw/zinc/21/20/74/821212074.db2.gz PVZPJHZLOAOMGM-MRXNPFEDSA-N 0 3 376.464 4.033 20 30 GIEDHN CN(CCCCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190508580 823582188 /nfs/dbraw/zinc/58/21/88/823582188.db2.gz LWRWSXDGOCSQLI-INIZCTEOSA-N 0 3 381.314 4.133 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H]2CSCCc3ccccc32)ccc1OC ZINC000180817318 821477895 /nfs/dbraw/zinc/47/78/95/821477895.db2.gz OPKQAJRMWUAUJC-ICSRJNTNSA-N 0 3 382.529 4.496 20 30 GIEDHN C[C@@H](N[C@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000180894015 821520620 /nfs/dbraw/zinc/52/06/20/821520620.db2.gz WRBZYPKDYFVMNI-QZTJIDSGSA-N 0 3 376.504 4.130 20 30 GIEDHN C[C@H](CC(=O)Nc1cccnc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214237 821701373 /nfs/dbraw/zinc/70/13/73/821701373.db2.gz RMZKBOGLTHVOQT-CYBMUJFWSA-N 0 3 395.812 4.112 20 30 GIEDHN COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000181574330 821885892 /nfs/dbraw/zinc/88/58/92/821885892.db2.gz JOEBTLLIRNUDMF-QFBILLFUSA-N 0 3 381.476 4.056 20 30 GIEDHN CC[C@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845569 822015617 /nfs/dbraw/zinc/01/56/17/822015617.db2.gz JUSMSUDRXMHUIP-AUSJPIAWSA-N 0 3 379.460 4.110 20 30 GIEDHN COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCN(C)C)C(C)C)cc1 ZINC000181855931 822017860 /nfs/dbraw/zinc/01/78/60/822017860.db2.gz OJEDKCUCVYBCKP-UHFFFAOYSA-N 0 3 396.491 4.163 20 30 GIEDHN C=CCOc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1OC ZINC000453576002 822386898 /nfs/dbraw/zinc/38/68/98/822386898.db2.gz OYFGKMCYPXWCRN-UHFFFAOYSA-N 0 3 379.500 4.324 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000454445653 822476969 /nfs/dbraw/zinc/47/69/69/822476969.db2.gz MGYHRMQDVJUWGY-IBGZPJMESA-N 0 3 390.531 4.474 20 30 GIEDHN N#CCOc1ccc(CNCc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000179547360 822501111 /nfs/dbraw/zinc/50/11/11/822501111.db2.gz SNWCJVYRBBQVPI-UHFFFAOYSA-N 0 3 397.219 4.243 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000179628605 822515595 /nfs/dbraw/zinc/51/55/95/822515595.db2.gz HUCKOHYPJYVHTH-UHFFFAOYSA-N 0 3 377.488 4.060 20 30 GIEDHN C[C@@H]1CCCCN1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000046858158 822524908 /nfs/dbraw/zinc/52/49/08/822524908.db2.gz WANGUZLJGFUXRB-QGZVFWFLSA-N 0 3 379.529 4.314 20 30 GIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccnc(OC3CCCCC3)c2)c1 ZINC000179793487 822554185 /nfs/dbraw/zinc/55/41/85/822554185.db2.gz ZEBYLLQDHGSDNH-LJQANCHMSA-N 0 3 377.444 4.063 20 30 GIEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000179795292 822554397 /nfs/dbraw/zinc/55/43/97/822554397.db2.gz KEHMWTPINGLDDC-WMLDXEAASA-N 0 3 384.863 4.265 20 30 GIEDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961448 822563648 /nfs/dbraw/zinc/56/36/48/822563648.db2.gz ZOGHGQDZYJFUJC-GCJKJVERSA-N 0 3 375.516 4.079 20 30 GIEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001368 822593441 /nfs/dbraw/zinc/59/34/41/822593441.db2.gz MTFACXWJHSLBCC-MBSDFSHPSA-N 0 3 388.515 4.005 20 30 GIEDHN COc1ccc(CN(Cc2ccc(C#N)cc2)C2CC2)cc1OCCCC#N ZINC000180030689 822600753 /nfs/dbraw/zinc/60/07/53/822600753.db2.gz GHJVSJWIAYHNPG-UHFFFAOYSA-N 0 3 375.472 4.414 20 30 GIEDHN C[C@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(-n2cnnn2)cc1 ZINC000180221810 822642247 /nfs/dbraw/zinc/64/22/47/822642247.db2.gz LQCQMNHQLKAXBW-KRWDZBQOSA-N 0 3 380.455 4.052 20 30 GIEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180542942 822699120 /nfs/dbraw/zinc/69/91/20/822699120.db2.gz VWLBYMQCICDQIH-CVEARBPZSA-N 0 3 378.476 4.285 20 30 GIEDHN N#CC(C(=O)CCCCc1nc2ccccc2s1)C(=O)NCc1ccccc1 ZINC000049487761 822701057 /nfs/dbraw/zinc/70/10/57/822701057.db2.gz AOSCDVCXIQAGJE-QGZVFWFLSA-N 0 3 391.496 4.034 20 30 GIEDHN C[C@H]1[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1Cc1ccccc1 ZINC000455733660 822716514 /nfs/dbraw/zinc/71/65/14/822716514.db2.gz NVOLVZVCTSISBO-HNAYVOBHSA-N 0 3 382.895 4.191 20 30 GIEDHN Cn1cc(CN2CC[C@@H](c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000185335175 822767639 /nfs/dbraw/zinc/76/76/39/822767639.db2.gz HCXYDYSPNNLYKX-QGZVFWFLSA-N 0 3 378.426 4.226 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000456308058 822796770 /nfs/dbraw/zinc/79/67/70/822796770.db2.gz ONMXGGKDOZNYFM-FQEVSTJZSA-N 0 3 389.543 4.107 20 30 GIEDHN COc1ccc(CNC2(c3cccc(F)c3)CCOCC2)cc1OCCCC#N ZINC000174645162 822816980 /nfs/dbraw/zinc/81/69/80/822816980.db2.gz AMAHXINQULTNNG-UHFFFAOYSA-N 0 3 398.478 4.312 20 30 GIEDHN COc1cc(C(C)=O)ccc1OCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000054736038 822909114 /nfs/dbraw/zinc/90/91/14/822909114.db2.gz MHXRAOLEILGIBZ-INIZCTEOSA-N 0 3 392.411 4.074 20 30 GIEDHN C=CC[C@@H](C(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1 ZINC000190223689 823552457 /nfs/dbraw/zinc/55/24/57/823552457.db2.gz FMKNBHBRBSZXHE-HSZRJFAPSA-N 0 3 378.516 4.189 20 30 GIEDHN CSc1ccccc1OC[C@@H](O)CN(Cc1ccc(F)c(C#N)c1)C(C)C ZINC000411984954 823618125 /nfs/dbraw/zinc/61/81/25/823618125.db2.gz NJJBIJLXYNZVIB-SFHVURJKSA-N 0 3 388.508 4.070 20 30 GIEDHN CC(C)n1cc(Br)cc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190975422 823633172 /nfs/dbraw/zinc/63/31/72/823633172.db2.gz HDJLQHLXUXFJRG-ZDUSSCGKSA-N 0 3 383.249 4.265 20 30 GIEDHN N#CC(C(=O)C=Cc1ccc(-c2ccc(F)cc2)s1)C(=O)Nc1ccccn1 ZINC000125177485 823657108 /nfs/dbraw/zinc/65/71/08/823657108.db2.gz GYJHLXWPTTZVSQ-SYJIQKIWSA-N 0 3 391.427 4.310 20 30 GIEDHN CCCN(CCC)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000063493649 823675904 /nfs/dbraw/zinc/67/59/04/823675904.db2.gz KBOZZJDYXIPNOU-UHFFFAOYSA-N 0 3 384.499 4.225 20 30 GIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H]1c1ccncc1)CCCCC2 ZINC000125482357 823679703 /nfs/dbraw/zinc/67/97/03/823679703.db2.gz MGMRQOPYORBUFG-IBGZPJMESA-N 0 3 394.544 4.449 20 30 GIEDHN C[C@H](C(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739952 823689857 /nfs/dbraw/zinc/68/98/57/823689857.db2.gz ZFFHOKVUGPORLY-FXAWDEMLSA-N 0 3 381.545 4.313 20 30 GIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125849356 823728387 /nfs/dbraw/zinc/72/83/87/823728387.db2.gz ZSXLGOQHDHLPHX-INIZCTEOSA-N 0 3 393.936 4.213 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)c2cc(-c3ccccc3C(F)(F)F)on2)CC1 ZINC000462045038 823810084 /nfs/dbraw/zinc/81/00/84/823810084.db2.gz AWZVXBASNQQATP-UHFFFAOYSA-N 0 3 393.409 4.131 20 30 GIEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000064412380 823813795 /nfs/dbraw/zinc/81/37/95/823813795.db2.gz OLINEXXYRRQAMQ-UHFFFAOYSA-N 0 3 390.409 4.173 20 30 GIEDHN COc1ccccc1-c1nc(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)cs1 ZINC000126251101 823821169 /nfs/dbraw/zinc/82/11/69/823821169.db2.gz LYVMNFFZVIMQJQ-INIZCTEOSA-N 0 3 391.452 4.088 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)c1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065121996 823947733 /nfs/dbraw/zinc/94/77/33/823947733.db2.gz AZCPBUFLBBKVDM-IBGZPJMESA-N 0 3 389.421 4.390 20 30 GIEDHN COc1ccc([C@H](NCC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)cc1 ZINC000192509446 824016019 /nfs/dbraw/zinc/01/60/19/824016019.db2.gz JTRNWYBCKQIATM-JOCHJYFZSA-N 0 3 397.906 4.336 20 30 GIEDHN C=CCOc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1OC ZINC000127140397 824025041 /nfs/dbraw/zinc/02/50/41/824025041.db2.gz SDUYVNXMDGSSMZ-QGZVFWFLSA-N 0 3 378.476 4.034 20 30 GIEDHN COc1cccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000175945038 823078857 /nfs/dbraw/zinc/07/88/57/823078857.db2.gz NHPAYJNVKNSTCS-MLGOLLRUSA-N 0 3 388.826 4.329 20 30 GIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458803068 823088542 /nfs/dbraw/zinc/08/85/42/823088542.db2.gz QRMNNDINQAYDBH-JOCHJYFZSA-N 0 3 396.510 4.334 20 30 GIEDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000459453014 823195250 /nfs/dbraw/zinc/19/52/50/823195250.db2.gz ZPRYALDYOONPKH-UHFFFAOYSA-N 0 3 396.438 4.234 20 30 GIEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccn(C2CCCC2)n1 ZINC000121580063 823210381 /nfs/dbraw/zinc/21/03/81/823210381.db2.gz ICAUALKGVHACPI-OAHLLOKOSA-N 0 3 391.258 4.266 20 30 GIEDHN N#CCc1ccc(OC[C@H](O)CN2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459566657 823221576 /nfs/dbraw/zinc/22/15/76/823221576.db2.gz HTGUAWXGLFRFAV-GGAORHGYSA-N 0 3 376.500 4.110 20 30 GIEDHN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121675959 823228582 /nfs/dbraw/zinc/22/85/82/823228582.db2.gz SRXSZDHBRXKZFH-SUMWQHHRSA-N 0 3 380.410 4.042 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783450 823250169 /nfs/dbraw/zinc/25/01/69/823250169.db2.gz ZDYWRPXOHQGCHA-KUHUBIRLSA-N 0 3 379.416 4.378 20 30 GIEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000571994902 823267243 /nfs/dbraw/zinc/26/72/43/823267243.db2.gz RANPANQAIJPGAZ-JXFKEZNVSA-N 0 3 392.528 4.267 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000188648462 823279934 /nfs/dbraw/zinc/27/99/34/823279934.db2.gz BBIWCDMMHHSTBR-JTQLQIEISA-N 0 3 381.848 4.168 20 30 GIEDHN CCOc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCc1cccnc1 ZINC000122303585 823335309 /nfs/dbraw/zinc/33/53/09/823335309.db2.gz GXTUVBZMNUAVJR-KRWDZBQOSA-N 0 3 393.468 4.314 20 30 GIEDHN COc1ccc2cc(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c(C)nc2c1 ZINC000122431633 823353235 /nfs/dbraw/zinc/35/32/35/823353235.db2.gz DGHQRFGLSOBMIH-MRXNPFEDSA-N 0 3 385.345 4.456 20 30 GIEDHN C=C(C)COc1cc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC ZINC000057967567 823351294 /nfs/dbraw/zinc/35/12/94/823351294.db2.gz WVEAJEGNXJUFAN-IBGZPJMESA-N 0 3 396.531 4.338 20 30 GIEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3Br)CC2)cc1 ZINC000022850318 818867136 /nfs/dbraw/zinc/86/71/36/818867136.db2.gz IMGLPVKHGYWZET-UHFFFAOYSA-N 0 3 384.321 4.029 20 30 GIEDHN CC[C@@H](C)c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)C ZINC000460580075 823442953 /nfs/dbraw/zinc/44/29/53/823442953.db2.gz VINPJHRJLOCCLB-LJQANCHMSA-N 0 3 394.567 4.032 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000043522805 821421970 /nfs/dbraw/zinc/42/19/70/821421970.db2.gz QGLFVJWMMSQBNC-UHFFFAOYSA-N 0 3 398.576 4.419 20 30 GIEDHN C[C@@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000180893998 821520500 /nfs/dbraw/zinc/52/05/00/821520500.db2.gz WRBZYPKDYFVMNI-ZWKOTPCHSA-N 0 3 376.504 4.130 20 30 GIEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C(C)C ZINC000181253430 821719566 /nfs/dbraw/zinc/71/95/66/821719566.db2.gz HKCCDXHYDHNVRL-LBPRGKRZSA-N 0 3 379.247 4.040 20 30 GIEDHN N#CC(C(=O)c1cnn(CCC(F)(F)F)c1)c1nc2ccccc2n1C(F)F ZINC000181499431 821855629 /nfs/dbraw/zinc/85/56/29/821855629.db2.gz TZNDYLANIMDSDE-NSHDSACASA-N 0 3 397.307 4.070 20 30 GIEDHN CC[C@@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(OC)cc1 ZINC000181823600 822007310 /nfs/dbraw/zinc/00/73/10/822007310.db2.gz BNAMXSAVOVDZTC-OAQYLSRUSA-N 0 3 379.504 4.300 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136598 822111220 /nfs/dbraw/zinc/11/12/20/822111220.db2.gz CLMXYSFSGRWPGS-QRWLVFNGSA-N 0 3 381.476 4.185 20 30 GIEDHN CCN1CCN(c2ccc(N[C@@H](C)c3ccc(OCC#N)cc3)c(C)c2)CC1 ZINC000182567036 822305928 /nfs/dbraw/zinc/30/59/28/822305928.db2.gz VJZRNAQLTPHBTQ-IBGZPJMESA-N 0 3 378.520 4.212 20 30 GIEDHN Fc1ccc(C#CCNC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000178513211 822386800 /nfs/dbraw/zinc/38/68/00/822386800.db2.gz QBHOYKJQEQWJIC-UHFFFAOYSA-N 0 3 388.280 4.235 20 30 GIEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110168 822425915 /nfs/dbraw/zinc/42/59/15/822425915.db2.gz QLYAUQPJLIEXCQ-UUOWRZLLSA-N 0 3 396.494 4.466 20 30 GIEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000454392380 822467732 /nfs/dbraw/zinc/46/77/32/822467732.db2.gz VJKBIDPNHZVKSI-QFIPXVFZSA-N 0 3 375.516 4.080 20 30 GIEDHN N#CC(C(=O)CCCOc1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000046441209 822473379 /nfs/dbraw/zinc/47/33/79/822473379.db2.gz PACVTQGWVUMISR-OAHLLOKOSA-N 0 3 398.260 4.361 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000454725003 822523969 /nfs/dbraw/zinc/52/39/69/822523969.db2.gz UUMHOIMWKRJCER-OFNKIYASSA-N 0 3 390.531 4.195 20 30 GIEDHN CC1CCN([C@@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000046886794 822526874 /nfs/dbraw/zinc/52/68/74/822526874.db2.gz VKZZVLXGAPTXTO-FQEVSTJZSA-N 0 3 396.560 4.234 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@H](C)Cc2ccc(Cl)cc2)c1 ZINC000179792950 822553947 /nfs/dbraw/zinc/55/39/47/822553947.db2.gz QHUYSRTYVHHKBJ-KUHUBIRLSA-N 0 3 384.863 4.265 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(C#N)cc2Cl)C1 ZINC000455000994 822568263 /nfs/dbraw/zinc/56/82/63/822568263.db2.gz YXWKMQRUBNJROC-INIZCTEOSA-N 0 3 382.895 4.197 20 30 GIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969685 822587670 /nfs/dbraw/zinc/58/76/70/822587670.db2.gz POEPJSDBJKRRAY-KUHUBIRLSA-N 0 3 385.414 4.006 20 30 GIEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000180016386 822597306 /nfs/dbraw/zinc/59/73/06/822597306.db2.gz SJGLTESNKGWYRN-QUCCMNQESA-N 0 3 392.503 4.106 20 30 GIEDHN Cn1cc(CNCc2ccc(F)cc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000180052011 822604839 /nfs/dbraw/zinc/60/48/39/822604839.db2.gz IRJVVAOJZFMAJK-UHFFFAOYSA-N 0 3 388.368 4.406 20 30 GIEDHN N#CC1(NC(=O)CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCCCC1 ZINC000180058948 822606076 /nfs/dbraw/zinc/60/60/76/822606076.db2.gz NQKWRCVHULAECP-GOSISDBHSA-N 0 3 379.426 4.089 20 30 GIEDHN Cn1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c(-c2ccc(C#N)cc2)n1 ZINC000180067993 822608478 /nfs/dbraw/zinc/60/84/78/822608478.db2.gz XECITVITSPEFHA-HXUWFJFHSA-N 0 3 386.455 4.025 20 30 GIEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455703872 822707426 /nfs/dbraw/zinc/70/74/26/822707426.db2.gz NDMQJNFPDQNTFU-UHFFFAOYSA-N 0 3 376.913 4.063 20 30 GIEDHN N#CCc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000455705956 822708184 /nfs/dbraw/zinc/70/81/84/822708184.db2.gz PIAJGBIDWIRRMO-SFHVURJKSA-N 0 3 382.895 4.192 20 30 GIEDHN N#CCc1ccc(NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000455744282 822718427 /nfs/dbraw/zinc/71/84/27/822718427.db2.gz FDMWGQJKWJWBGC-FQEVSTJZSA-N 0 3 382.895 4.365 20 30 GIEDHN CCSCc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000455867596 822739607 /nfs/dbraw/zinc/73/96/07/822739607.db2.gz UUSYHYCFLDXCGI-UHFFFAOYSA-N 0 3 396.560 4.407 20 30 GIEDHN N#CC(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CCCC1 ZINC000051653054 822771500 /nfs/dbraw/zinc/77/15/00/822771500.db2.gz CWOQKZVETKKDBM-OAQYLSRUSA-N 0 3 388.467 4.084 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000174494653 822796520 /nfs/dbraw/zinc/79/65/20/822796520.db2.gz OWPBXSWQEUIWJC-UHFFFAOYSA-N 0 3 394.450 4.262 20 30 GIEDHN C=CCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccs1 ZINC000174707614 822826395 /nfs/dbraw/zinc/82/63/95/822826395.db2.gz BXZKSWCKNLBLKX-UHFFFAOYSA-N 0 3 394.924 4.436 20 30 GIEDHN C=CCN1CCC(NC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000174776196 822835533 /nfs/dbraw/zinc/83/55/33/822835533.db2.gz QQIRCIDYODEJJZ-UHFFFAOYSA-N 0 3 381.442 4.034 20 30 GIEDHN CCSCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000055388380 822956590 /nfs/dbraw/zinc/95/65/90/822956590.db2.gz RRIGOQDWIUXUJH-UHFFFAOYSA-N 0 3 381.545 4.015 20 30 GIEDHN COc1ccc([C@@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cc1 ZINC000175518688 822989552 /nfs/dbraw/zinc/98/95/52/822989552.db2.gz WQBVIRLZQRQIHO-DEOSSOPVSA-N 0 3 391.515 4.300 20 30 GIEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000175617895 823007460 /nfs/dbraw/zinc/00/74/60/823007460.db2.gz WKHGQWKMRRDOTR-IBGZPJMESA-N 0 3 388.471 4.137 20 30 GIEDHN Cc1cc(Br)cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1[O-] ZINC000187326776 823043966 /nfs/dbraw/zinc/04/39/66/823043966.db2.gz ULCAXCDAINXUPM-ZDUSSCGKSA-N 0 3 375.266 4.216 20 30 GIEDHN CC(C)CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060575786 823543991 /nfs/dbraw/zinc/54/39/91/823543991.db2.gz KVIIPRMIMQIURF-UHFFFAOYSA-N 0 3 393.531 4.187 20 30 GIEDHN CC[C@@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(CC)CC ZINC000460978833 823554973 /nfs/dbraw/zinc/55/49/73/823554973.db2.gz KRPJUVXETRWDLF-QFIPXVFZSA-N 0 3 379.504 4.391 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccc(C(=O)N3CCCC3)cc2)ccc1OC ZINC000060949638 823568837 /nfs/dbraw/zinc/56/88/37/823568837.db2.gz RUGDNGNWHLJZFQ-UHFFFAOYSA-N 0 3 394.515 4.176 20 30 GIEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1cccc(O)c1 ZINC000411450815 823575934 /nfs/dbraw/zinc/57/59/34/823575934.db2.gz GRNBDRDQHIBTRJ-KBPBESRZSA-N 0 3 383.517 4.130 20 30 GIEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628789 823593386 /nfs/dbraw/zinc/59/33/86/823593386.db2.gz RGBISQCOFUTGMO-JTSKRJEESA-N 0 3 391.515 4.187 20 30 GIEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(OCC(C)C)c1 ZINC000190912192 823623340 /nfs/dbraw/zinc/62/33/40/823623340.db2.gz YSGWNPWEHVNZND-QGZVFWFLSA-N 0 3 375.428 4.163 20 30 GIEDHN Cc1ccc(OCc2cccc(C(=O)C(C#N)c3cnc4ccccc4n3)c2)cn1 ZINC000190961760 823631115 /nfs/dbraw/zinc/63/11/15/823631115.db2.gz SXMJBAKZHBIZEX-FQEVSTJZSA-N 0 3 394.434 4.402 20 30 GIEDHN Cc1cc2occ(CC(=O)C(C#N)C(=O)NCCCOC(C)C)c2cc1C(C)C ZINC000125451022 823677207 /nfs/dbraw/zinc/67/72/07/823677207.db2.gz RQCZNMQSNNVWJD-HXUWFJFHSA-N 0 3 398.503 4.047 20 30 GIEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1 ZINC000064743561 823877809 /nfs/dbraw/zinc/87/78/09/823877809.db2.gz KHNNLIARRQHJFH-GOSISDBHSA-N 0 3 398.532 4.223 20 30 GIEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792829 823895695 /nfs/dbraw/zinc/89/56/95/823895695.db2.gz XNAIBURQUQDVEG-ZWKOTPCHSA-N 0 3 396.506 4.211 20 30 GIEDHN CC(C)(C)c1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000170672936 823932829 /nfs/dbraw/zinc/93/28/29/823932829.db2.gz FGHFVKGKZPXYNF-LBPRGKRZSA-N 0 3 393.871 4.123 20 30 GIEDHN COc1ccccc1-c1nc(C2CCN(Cc3ccc(C#N)cc3C)CC2)no1 ZINC000192340283 823952446 /nfs/dbraw/zinc/95/24/46/823952446.db2.gz VYIWROWUIFAAGX-UHFFFAOYSA-N 0 3 388.471 4.305 20 30 GIEDHN N#CC(C(=O)CSc1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1 ZINC000126819707 823959044 /nfs/dbraw/zinc/95/90/44/823959044.db2.gz ROAXOUJVKDIZBN-AWEZNQCLSA-N 0 3 393.295 4.111 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccc(Cl)cc2)c1 ZINC000127027849 824003244 /nfs/dbraw/zinc/00/32/44/824003244.db2.gz AEJMWXKNEYPWBX-KRWDZBQOSA-N 0 3 388.876 4.178 20 30 GIEDHN COc1ccc([C@@H](NCC(=O)N(CCC#N)c2cccc(Cl)c2)C2CC2)cc1 ZINC000192509455 824015866 /nfs/dbraw/zinc/01/58/66/824015866.db2.gz JTRNWYBCKQIATM-QFIPXVFZSA-N 0 3 397.906 4.336 20 30 GIEDHN C=CCOc1c(Br)cc(CN[C@@H]2C[C@H]2c2ccco2)cc1OC ZINC000414583778 824015973 /nfs/dbraw/zinc/01/59/73/824015973.db2.gz MFCMNYDCRJNSGL-UKRRQHHQSA-N 0 3 378.266 4.261 20 30 GIEDHN C=CCN1C(=O)CC[C@]12CCCN(C(C)(C)c1ccnc(Cl)c1)[C@@H]2CC ZINC001164702710 719824574 /nfs/dbraw/zinc/82/45/74/719824574.db2.gz SZVDAEKDDWSHSK-UTKZUKDTSA-N 0 3 375.944 4.392 20 30 GIEDHN N#Cc1ccc2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164993698 722198008 /nfs/dbraw/zinc/19/80/08/722198008.db2.gz HXMNHZJUMBYWLR-XMMPIXPASA-N 0 3 386.474 4.490 20 30 GIEDHN CN(C)CCN(Cc1ccccc1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458801186 823087943 /nfs/dbraw/zinc/08/79/43/823087943.db2.gz MYUUALDTXIHIOK-JOCHJYFZSA-N 0 3 378.520 4.195 20 30 GIEDHN N#CCCC[C@@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000458801823 823088055 /nfs/dbraw/zinc/08/80/55/823088055.db2.gz OBKIGTUUBGQDHE-JOCHJYFZSA-N 0 3 382.552 4.329 20 30 GIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458803070 823088425 /nfs/dbraw/zinc/08/84/25/823088425.db2.gz QRMNNDINQAYDBH-QFIPXVFZSA-N 0 3 396.510 4.334 20 30 GIEDHN CN(C)C[C@@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)c1ccc(F)cc1 ZINC000458855424 823098243 /nfs/dbraw/zinc/09/82/43/823098243.db2.gz YBMINXQIJYLYHG-NHCUHLMSSA-N 0 3 382.483 4.163 20 30 GIEDHN C[C@@H](CC(=O)Nc1cccc(F)c1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000570873827 823099939 /nfs/dbraw/zinc/09/99/39/823099939.db2.gz JVHKMQQOPFONMH-AWEZNQCLSA-N 0 3 378.369 4.203 20 30 GIEDHN C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000187716210 823119232 /nfs/dbraw/zinc/11/92/32/823119232.db2.gz VRTUTFGWSHWCJX-AWEZNQCLSA-N 0 3 383.879 4.329 20 30 GIEDHN C=CCOc1ccc(CN[C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302374 823162349 /nfs/dbraw/zinc/16/23/49/823162349.db2.gz LKQXXQQKAVYEEA-JTSKRJEESA-N 0 3 382.479 4.232 20 30 GIEDHN COCCOc1ccc([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391288 823176391 /nfs/dbraw/zinc/17/63/91/823176391.db2.gz YXJNNKQKFIBMQW-HRAATJIYSA-N 0 3 380.488 4.320 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-c3ccc(OC)cc3)s2)CC1 ZINC000176336821 823185803 /nfs/dbraw/zinc/18/58/03/823185803.db2.gz RFIZEPPIVBXDBY-UHFFFAOYSA-N 0 3 399.560 4.263 20 30 GIEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@@H]1CCC[C@H]1C#N ZINC000459456294 823195747 /nfs/dbraw/zinc/19/57/47/823195747.db2.gz FOTVKRDBTXODHX-GOEBONIOSA-N 0 3 378.314 4.067 20 30 GIEDHN N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000056744859 823205271 /nfs/dbraw/zinc/20/52/71/823205271.db2.gz JSYMBFANVCWUJT-UHFFFAOYSA-N 0 3 390.487 4.443 20 30 GIEDHN C=C[C@H](CC(=O)N1CCC(CCN2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000121704450 823234211 /nfs/dbraw/zinc/23/42/11/823234211.db2.gz BSCXVONVMGUNNM-JAXLGGSGSA-N 0 3 384.564 4.084 20 30 GIEDHN N#Cc1csc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121753032 823243350 /nfs/dbraw/zinc/24/33/50/823243350.db2.gz DSABPZVZPYTQCC-CYBMUJFWSA-N 0 3 391.422 4.061 20 30 GIEDHN CSc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)N(C)C)cc1 ZINC000572278124 823312001 /nfs/dbraw/zinc/31/20/01/823312001.db2.gz KHQWYEJUUGJVFL-HXUWFJFHSA-N 0 3 381.545 4.242 20 30 GIEDHN CSc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)N(C)C)cc1 ZINC000572278123 823312125 /nfs/dbraw/zinc/31/21/25/823312125.db2.gz KHQWYEJUUGJVFL-FQEVSTJZSA-N 0 3 381.545 4.242 20 30 GIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C(=O)N3CCCCC3)cc2)c([O-])c1 ZINC000016937128 818489214 /nfs/dbraw/zinc/48/92/14/818489214.db2.gz CEHVHJUAEOHXKB-XIEYBQDHSA-N 0 3 393.531 4.484 20 30 GIEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)CC1 ZINC000122339217 823340680 /nfs/dbraw/zinc/34/06/80/823340680.db2.gz RXXCFGIJTRRUFF-UHFFFAOYSA-N 0 3 375.497 4.247 20 30 GIEDHN C[C@H](N[C@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473387 823346107 /nfs/dbraw/zinc/34/61/07/823346107.db2.gz RYIKTDNXDREJNA-UWJYYQICSA-N 0 3 394.494 4.022 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccc(N3CCCC3=O)cc2)ccc1OC ZINC000057960050 823350483 /nfs/dbraw/zinc/35/04/83/823350483.db2.gz SRMFCBVRRKYTNV-UHFFFAOYSA-N 0 3 380.488 4.067 20 30 GIEDHN C[C@@H](NC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101881 820742315 /nfs/dbraw/zinc/74/23/15/820742315.db2.gz JFXXTRNDRKYFMC-YLJYHZDGSA-N 0 3 396.560 4.453 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810898 821472246 /nfs/dbraw/zinc/47/22/46/821472246.db2.gz SMIYDCOSMBKNJD-QFBILLFUSA-N 0 3 396.487 4.388 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H]2CSCCc3ccccc32)ccc1OC ZINC000180817305 821477773 /nfs/dbraw/zinc/47/77/73/821477773.db2.gz OPKQAJRMWUAUJC-UYAOXDASSA-N 0 3 382.529 4.496 20 30 GIEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000181012681 821592860 /nfs/dbraw/zinc/59/28/60/821592860.db2.gz DTGIHDXVVFZYMU-ZDUSSCGKSA-N 0 3 383.181 4.162 20 30 GIEDHN C[C@@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(OCC#N)cc1 ZINC000181596328 821895927 /nfs/dbraw/zinc/89/59/27/821895927.db2.gz MUHVCVNQLJGGRI-MRXNPFEDSA-N 0 3 375.428 4.285 20 30 GIEDHN C[C@@](C#N)(NC(=O)CN[C@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596927 821896369 /nfs/dbraw/zinc/89/63/69/821896369.db2.gz LGIKUFJPUPJVPE-IRLDBZIGSA-N 0 3 381.907 4.022 20 30 GIEDHN C[C@@H](NCc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(OCC#N)cc1 ZINC000181635407 821915021 /nfs/dbraw/zinc/91/50/21/821915021.db2.gz SCZLNYXVHADTKJ-QGZVFWFLSA-N 0 3 386.455 4.087 20 30 GIEDHN CC(C)COC[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000181644105 821919632 /nfs/dbraw/zinc/91/96/32/821919632.db2.gz MYAMROSLKVQHRE-QFIPXVFZSA-N 0 3 381.520 4.119 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(OC[C@H]4CCCO4)c3)CC2)cc1 ZINC000182133511 822110399 /nfs/dbraw/zinc/11/03/99/822110399.db2.gz ZNDWLLRIPADFOG-XMMPIXPASA-N 0 3 391.515 4.193 20 30 GIEDHN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@H](C)c2cccc(C#N)c2)cc1 ZINC000178176684 822343439 /nfs/dbraw/zinc/34/34/39/822343439.db2.gz GZOQJUXRIJUCQY-IAGOWNOFSA-N 0 3 385.533 4.001 20 30 GIEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000178705766 822404465 /nfs/dbraw/zinc/40/44/65/822404465.db2.gz HTBFTTWKZGZJHF-BZNIZROVSA-N 0 3 376.790 4.459 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000047010804 822537588 /nfs/dbraw/zinc/53/75/88/822537588.db2.gz LDJWJTSBVPOCRK-UHFFFAOYSA-N 0 3 376.287 4.069 20 30 GIEDHN Cc1cnn(-c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2F)c1 ZINC000179957890 822585671 /nfs/dbraw/zinc/58/56/71/822585671.db2.gz FNHNSHJPHWNNGF-UHFFFAOYSA-N 0 3 389.478 4.268 20 30 GIEDHN Cn1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179977743 822589285 /nfs/dbraw/zinc/58/92/85/822589285.db2.gz DEDNABSTYMOAGV-QHCPKHFHSA-N 0 3 386.499 4.140 20 30 GIEDHN COc1cc(Br)cc(CN(Cc2ccc(C#N)cc2)C2CC2)c1O ZINC000180028764 822600433 /nfs/dbraw/zinc/60/04/33/822600433.db2.gz UYZOPRLEBJVEMP-UHFFFAOYSA-N 0 3 387.277 4.200 20 30 GIEDHN CS(=O)(=O)c1cccc([C@H](NCCCCC#N)c2ccc(Cl)cc2)c1 ZINC000180429387 822680265 /nfs/dbraw/zinc/68/02/65/822680265.db2.gz RSCVNJDUCXLMTB-LJQANCHMSA-N 0 3 376.909 4.116 20 30 GIEDHN C[C@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000455808310 822730131 /nfs/dbraw/zinc/73/01/31/822730131.db2.gz AGZQARKOLIDGDO-FQEVSTJZSA-N 0 3 389.543 4.250 20 30 GIEDHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455935519 822752794 /nfs/dbraw/zinc/75/27/94/822752794.db2.gz AZXKHLUGXFDBGB-MRXNPFEDSA-N 0 3 380.517 4.267 20 30 GIEDHN CC1CCN([C@@H](CNC(=O)Nc2cccc(CC#N)c2)c2cccs2)CC1 ZINC000455947508 822756071 /nfs/dbraw/zinc/75/60/71/822756071.db2.gz OEOVZYSVGJAWNO-IBGZPJMESA-N 0 3 382.533 4.409 20 30 GIEDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372547 822779810 /nfs/dbraw/zinc/77/98/10/822779810.db2.gz ZPFQRXKQADUMPY-KRWDZBQOSA-N 0 3 383.467 4.079 20 30 GIEDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372547 822779812 /nfs/dbraw/zinc/77/98/12/822779812.db2.gz ZPFQRXKQADUMPY-KRWDZBQOSA-N 0 3 383.467 4.079 20 30 GIEDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000174372547 822779814 /nfs/dbraw/zinc/77/98/14/822779814.db2.gz ZPFQRXKQADUMPY-KRWDZBQOSA-N 0 3 383.467 4.079 20 30 GIEDHN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000174374858 822780343 /nfs/dbraw/zinc/78/03/43/822780343.db2.gz CCFGNHZKLRVNSI-LSDHHAIUSA-N 0 3 393.878 4.075 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000456329593 822798933 /nfs/dbraw/zinc/79/89/33/822798933.db2.gz IQEQGQHBUMKOIP-NZQKXSOJSA-N 0 3 375.516 4.054 20 30 GIEDHN COc1cc(CNCc2cn(CCC#N)nc2-c2ccccc2)c2ccccc2n1 ZINC000174582210 822808076 /nfs/dbraw/zinc/80/80/76/822808076.db2.gz ZPNCHPKIAXJNOA-UHFFFAOYSA-N 0 3 397.482 4.310 20 30 GIEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 ZINC000175113147 822884636 /nfs/dbraw/zinc/88/46/36/822884636.db2.gz AVZVXOPOUKBWKK-OAHLLOKOSA-N 0 3 396.299 4.429 20 30 GIEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000123853640 823545861 /nfs/dbraw/zinc/54/58/61/823545861.db2.gz QRLORAYWOIIZDM-ZDUSSCGKSA-N 0 3 396.752 4.329 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNCc3ccc(-n4ccnc4)nc3)c2)c1 ZINC000060974490 823570463 /nfs/dbraw/zinc/57/04/63/823570463.db2.gz FODFXUPLEKHFLB-UHFFFAOYSA-N 0 3 395.466 4.008 20 30 GIEDHN COc1ccc2cc([C@H](C)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606222 823590783 /nfs/dbraw/zinc/59/07/83/823590783.db2.gz VBROHRVGZPWOBR-BXKMTCNYSA-N 0 3 399.494 4.172 20 30 GIEDHN COc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614109 823591771 /nfs/dbraw/zinc/59/17/71/823591771.db2.gz HILNVYRKEFMWJY-UZUQRXQVSA-N 0 3 399.494 4.172 20 30 GIEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628748 823593441 /nfs/dbraw/zinc/59/34/41/823593441.db2.gz RGBISQCOFUTGMO-HTAPYJJXSA-N 0 3 391.515 4.187 20 30 GIEDHN Cc1ccccc1[C@@H](CC(F)(F)F)NCCC(=O)Nc1ccccc1C#N ZINC000411651673 823594375 /nfs/dbraw/zinc/59/43/75/823594375.db2.gz XXBNJYOSILKDIQ-GOSISDBHSA-N 0 3 375.394 4.479 20 30 GIEDHN C=CCOc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)c1 ZINC000062410340 823633895 /nfs/dbraw/zinc/63/38/95/823633895.db2.gz HCCBTQZPKUCJAM-UHFFFAOYSA-N 0 3 389.446 4.125 20 30 GIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000125016773 823645356 /nfs/dbraw/zinc/64/53/56/823645356.db2.gz GHNLOAWECCXVMN-QGZVFWFLSA-N 0 3 386.565 4.421 20 30 GIEDHN CN(C)Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(F)c1 ZINC000412555590 823661743 /nfs/dbraw/zinc/66/17/43/823661743.db2.gz CBPJJOTXOBIWNG-UHFFFAOYSA-N 0 3 378.451 4.398 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1csc(C2CC2)n1 ZINC000125322906 823667758 /nfs/dbraw/zinc/66/77/58/823667758.db2.gz HRTJFZYJNGVMFO-UHFFFAOYSA-N 0 3 389.594 4.119 20 30 GIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000063400455 823668014 /nfs/dbraw/zinc/66/80/14/823668014.db2.gz WLBJQGOWXKJKMX-HXUWFJFHSA-N 0 3 394.544 4.154 20 30 GIEDHN Cc1c(CN2CCSCC2)cccc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000125614818 823690055 /nfs/dbraw/zinc/69/00/55/823690055.db2.gz CVPXPIBULKFVFF-QGZVFWFLSA-N 0 3 381.545 4.447 20 30 GIEDHN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000126297634 823833157 /nfs/dbraw/zinc/83/31/57/823833157.db2.gz SENGGELARCDVFG-INIZCTEOSA-N 0 3 390.468 4.092 20 30 GIEDHN C=CC[C@@H](Cc1ccccc1)NC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000413830063 823846794 /nfs/dbraw/zinc/84/67/94/823846794.db2.gz XIFFBPCUJNDVNT-FQEVSTJZSA-N 0 3 381.520 4.073 20 30 GIEDHN N#Cc1ccc(CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F ZINC000192097331 823859218 /nfs/dbraw/zinc/85/92/18/823859218.db2.gz KQAPKPKIIFSVJQ-KRWDZBQOSA-N 0 3 380.398 4.266 20 30 GIEDHN COc1ccccc1C[C@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000170960449 824019647 /nfs/dbraw/zinc/01/96/47/824019647.db2.gz DUYBDPLYLSEGBN-KSSFIOAISA-N 0 3 384.863 4.265 20 30 GIEDHN CN(C(=O)c1ccncc1)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000127120037 824021651 /nfs/dbraw/zinc/02/16/51/824021651.db2.gz PVCHTPBNMCXBEE-UHFFFAOYSA-N 0 3 396.494 4.072 20 30 GIEDHN N#CC(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccccn1 ZINC000175948617 823079807 /nfs/dbraw/zinc/07/98/07/823079807.db2.gz HDCSAXNWKRZIKC-QFIPXVFZSA-N 0 3 397.478 4.221 20 30 GIEDHN N#CC(C(=O)CC(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccccn1 ZINC000175948593 823079964 /nfs/dbraw/zinc/07/99/64/823079964.db2.gz HDCSAXNWKRZIKC-JOCHJYFZSA-N 0 3 397.478 4.221 20 30 GIEDHN CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458803777 823088705 /nfs/dbraw/zinc/08/87/05/823088705.db2.gz RMUSBFPRUWVECJ-FQEVSTJZSA-N 0 3 384.549 4.256 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)cc1Cl ZINC000176020195 823097600 /nfs/dbraw/zinc/09/76/00/823097600.db2.gz KCJAUJCGMUZBJR-OAHLLOKOSA-N 0 3 390.892 4.389 20 30 GIEDHN Cc1ccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)N2CCCC2)cc1 ZINC000176033782 823101365 /nfs/dbraw/zinc/10/13/65/823101365.db2.gz FBOZNSXUFKETJX-OAQYLSRUSA-N 0 3 379.529 4.178 20 30 GIEDHN C=C(C)[C@@H](NCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782875 823131939 /nfs/dbraw/zinc/13/19/39/823131939.db2.gz TZADVPSPZNBAIW-HXUWFJFHSA-N 0 3 395.471 4.044 20 30 GIEDHN C=CCN1CCC(NC(=O)[C@@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000176285580 823172427 /nfs/dbraw/zinc/17/24/27/823172427.db2.gz IVTZLHZWZZSKEE-CQSZACIVSA-N 0 3 389.952 4.135 20 30 GIEDHN COCCOc1ccc([C@@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391292 823176495 /nfs/dbraw/zinc/17/64/95/823176495.db2.gz YXJNNKQKFIBMQW-IERDGZPVSA-N 0 3 380.488 4.320 20 30 GIEDHN N#CCCC1CCN(Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000571405207 823178455 /nfs/dbraw/zinc/17/84/55/823178455.db2.gz PKBCKQYQZXZHJR-UHFFFAOYSA-N 0 3 376.426 4.466 20 30 GIEDHN COc1ccc([C@@H](CCC#N)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787774 823234412 /nfs/dbraw/zinc/23/44/12/823234412.db2.gz CGUMBKFZQHFABP-DNQXCXABSA-N 0 3 393.531 4.012 20 30 GIEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121790798 823252110 /nfs/dbraw/zinc/25/21/10/823252110.db2.gz DNDBUAOTTSQEHG-LJQANCHMSA-N 0 3 392.503 4.072 20 30 GIEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)c(F)c2)CC1 ZINC000057177522 823259818 /nfs/dbraw/zinc/25/98/18/823259818.db2.gz GHLOMBWHIPFCPA-KRWDZBQOSA-N 0 3 380.463 4.140 20 30 GIEDHN COc1cc(CN(CCOc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000016423786 818441209 /nfs/dbraw/zinc/44/12/09/818441209.db2.gz YTDZKDFFGSBBAX-UHFFFAOYSA-N 0 3 388.414 4.212 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccc(NC(=O)NC(C)C)cc2)ccc1OC ZINC000057965739 823351425 /nfs/dbraw/zinc/35/14/25/823351425.db2.gz LHCALABEJNAEFV-UHFFFAOYSA-N 0 3 397.519 4.470 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)CSCc1ccccc1 ZINC000122448973 823356072 /nfs/dbraw/zinc/35/60/72/823356072.db2.gz NJGWBVFJKFFAKL-AEFFLSMTSA-N 0 3 396.512 4.302 20 30 GIEDHN C#CCN1CCC(C(=O)N[C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000122824907 823418664 /nfs/dbraw/zinc/41/86/64/823418664.db2.gz DLZDOGYHXZABPM-OAQYLSRUSA-N 0 3 384.882 4.030 20 30 GIEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000025865896 820032361 /nfs/dbraw/zinc/03/23/61/820032361.db2.gz AVTQJDNNHVYVMD-DEOSSOPVSA-N 0 3 386.495 4.195 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@H]2CCC[C@@H](C)C2)c1C#N ZINC000026472705 820101453 /nfs/dbraw/zinc/10/14/53/820101453.db2.gz QJEBMEXKLBDPED-QAPCUYQASA-N 0 3 382.508 4.067 20 30 GIEDHN Cc1ccc(-c2cc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)on2)cc1 ZINC000029712143 820503698 /nfs/dbraw/zinc/50/36/98/820503698.db2.gz FSHLAEWZAMPJHG-UHFFFAOYSA-N 0 3 386.499 4.230 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410507722 823500518 /nfs/dbraw/zinc/50/05/18/823500518.db2.gz IODWXMOGGLKMHJ-FQEVSTJZSA-N 0 3 389.543 4.250 20 30 GIEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)n1 ZINC000177756197 823521503 /nfs/dbraw/zinc/52/15/03/823521503.db2.gz ZDBUOQCAQJVHFG-MRXNPFEDSA-N 0 3 383.517 4.419 20 30 GIEDHN C[C@@H]1CCc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c2[C@H]1C ZINC000410977683 823527383 /nfs/dbraw/zinc/52/73/83/823527383.db2.gz CGSFAMVJESMOML-KEYYUXOJSA-N 0 3 388.496 4.498 20 30 GIEDHN Cc1ccc(-n2cnnc2SCC(=O)C(C#N)c2nc(C(C)C)cs2)cc1 ZINC000177776461 823524477 /nfs/dbraw/zinc/52/44/77/823524477.db2.gz NBFWQPYGIDCIOM-HNNXBMFYSA-N 0 3 397.529 4.124 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000041494723 821198481 /nfs/dbraw/zinc/19/84/81/821198481.db2.gz NSAGPXSYZJKOKA-HNNXBMFYSA-N 0 3 375.819 4.201 20 30 GIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000041513225 821202751 /nfs/dbraw/zinc/20/27/51/821202751.db2.gz ZNQXZUGWSJDPQH-SFHVURJKSA-N 0 3 385.452 4.189 20 30 GIEDHN CC(C)n1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000041557528 821210088 /nfs/dbraw/zinc/21/00/88/821210088.db2.gz KGMDFCQKBWWLOO-CQSZACIVSA-N 0 3 394.385 4.247 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](c1ccccc1)C(C)C ZINC000042510144 821309235 /nfs/dbraw/zinc/30/92/35/821309235.db2.gz UDZBQDGUOOVOFG-AVRDEDQJSA-N 0 3 379.504 4.317 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](c1ccccc1)C(C)C ZINC000042510150 821309292 /nfs/dbraw/zinc/30/92/92/821309292.db2.gz UDZBQDGUOOVOFG-GCJKJVERSA-N 0 3 379.504 4.317 20 30 GIEDHN C[C@@H](NCCOc1ccc(C#N)cc1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000181156681 821668506 /nfs/dbraw/zinc/66/85/06/821668506.db2.gz OKLNTNSQIFAZJL-QGZVFWFLSA-N 0 3 398.528 4.004 20 30 GIEDHN COc1ccccc1NC(=O)C[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214770 821701421 /nfs/dbraw/zinc/70/14/21/821701421.db2.gz ORVOAWMVPWQBLA-HNNXBMFYSA-N 0 3 390.405 4.072 20 30 GIEDHN CN1CCCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000181500282 821855538 /nfs/dbraw/zinc/85/55/38/821855538.db2.gz BCDATLCCYMPQKS-IBGZPJMESA-N 0 3 382.895 4.165 20 30 GIEDHN C=CCOc1ccc(CN2CCC(OCc3ccccc3OC)CC2)cc1OC ZINC000181553109 821878849 /nfs/dbraw/zinc/87/88/49/821878849.db2.gz NVRLVNUFEXBKBU-UHFFFAOYSA-N 0 3 397.515 4.450 20 30 GIEDHN CCC[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663408 821930660 /nfs/dbraw/zinc/93/06/60/821930660.db2.gz QKTXRKZJHPHHFM-OXQOHEQNSA-N 0 3 397.544 4.055 20 30 GIEDHN C[C@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181920052 822036660 /nfs/dbraw/zinc/03/66/60/822036660.db2.gz ZEDLEVZZPFLFFE-SFHVURJKSA-N 0 3 377.488 4.066 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000182995343 822407867 /nfs/dbraw/zinc/40/78/67/822407867.db2.gz LQJAQABGKBKRQW-UHFFFAOYSA-N 0 3 395.469 4.207 20 30 GIEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000183098754 822424221 /nfs/dbraw/zinc/42/42/21/822424221.db2.gz VVOIKMNNTPBDPY-LIRRHRJNSA-N 0 3 385.414 4.006 20 30 GIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000183111449 822425822 /nfs/dbraw/zinc/42/58/22/822425822.db2.gz CSDIYQPCNYVNQG-MHECFPHRSA-N 0 3 396.494 4.466 20 30 GIEDHN COc1ccc([C@@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000179686977 822527365 /nfs/dbraw/zinc/52/73/65/822527365.db2.gz WZMSWHJIIKHIAB-RBZFPXEDSA-N 0 3 395.528 4.185 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1Cl ZINC000047010916 822537552 /nfs/dbraw/zinc/53/75/52/822537552.db2.gz VRBWJUYHYZGBKI-UHFFFAOYSA-N 0 3 376.287 4.069 20 30 GIEDHN CCOC(=O)N(C)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000180074615 822610137 /nfs/dbraw/zinc/61/01/37/822610137.db2.gz XOIJPNGFIPASQH-UHFFFAOYSA-N 0 3 392.503 4.227 20 30 GIEDHN N#CCOc1ccc(CN[C@@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000180548872 822700229 /nfs/dbraw/zinc/70/02/29/822700229.db2.gz HAZWDNJIWJXWCA-GOSISDBHSA-N 0 3 387.277 4.355 20 30 GIEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CN1Cc1ccccc1 ZINC000455696284 822704773 /nfs/dbraw/zinc/70/47/73/822704773.db2.gz BZFGPNCUDXYVSB-CRAIPNDOSA-N 0 3 382.895 4.191 20 30 GIEDHN Cc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(CC#N)cc2Cl)c1 ZINC000455701562 822706509 /nfs/dbraw/zinc/70/65/09/822706509.db2.gz JRIGNOHOLIUKQG-UHFFFAOYSA-N 0 3 384.911 4.310 20 30 GIEDHN COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1OCCCC#N ZINC000180604197 822709994 /nfs/dbraw/zinc/70/99/94/822709994.db2.gz HGTXLOUJXXTXSM-MOPGFXCFSA-N 0 3 384.476 4.059 20 30 GIEDHN C=C[C@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455948647 822756229 /nfs/dbraw/zinc/75/62/29/822756229.db2.gz UKWGHVBTEAMISE-INIZCTEOSA-N 0 3 377.916 4.385 20 30 GIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358855 822777565 /nfs/dbraw/zinc/77/75/65/822777565.db2.gz BJUJMSMQBDDCGA-IFXJQAMLSA-N 0 3 385.414 4.006 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174366437 822778725 /nfs/dbraw/zinc/77/87/25/822778725.db2.gz YPDFPYSDVOLUQQ-ROUUACIJSA-N 0 3 394.544 4.188 20 30 GIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000185595935 822800464 /nfs/dbraw/zinc/80/04/64/822800464.db2.gz VXZMLDMTMXCICS-NUJGCVRESA-N 0 3 395.528 4.031 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000456352021 822801326 /nfs/dbraw/zinc/80/13/26/822801326.db2.gz XVDFZRTXZYPYRT-IBGZPJMESA-N 0 3 375.516 4.082 20 30 GIEDHN COc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000175112225 822884619 /nfs/dbraw/zinc/88/46/19/822884619.db2.gz QGWTURKRAMUXJR-LRDDRELGSA-N 0 3 388.826 4.329 20 30 GIEDHN CCOc1cc(CNCc2ccc(CC#N)cc2)cc(Br)c1OC ZINC000569222318 822894281 /nfs/dbraw/zinc/89/42/81/822894281.db2.gz URZABBXTVMAHBJ-UHFFFAOYSA-N 0 3 389.293 4.212 20 30 GIEDHN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000054727133 822907963 /nfs/dbraw/zinc/90/79/63/822907963.db2.gz QSNJUBRFVLVYNH-AEFFLSMTSA-N 0 3 380.492 4.080 20 30 GIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(Cc3ccncc3)C3CC3)sc2C1 ZINC000411422019 823572218 /nfs/dbraw/zinc/57/22/18/823572218.db2.gz SDOPYARXVZSURL-OAHLLOKOSA-N 0 3 394.544 4.133 20 30 GIEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1ccccc1 ZINC000411458924 823577220 /nfs/dbraw/zinc/57/72/20/823577220.db2.gz RKKNGGPPAHBDQO-BEFAXECRSA-N 0 3 397.544 4.050 20 30 GIEDHN COc1ccc2oc([C@@H](C)NCCC(=O)Nc3ccccc3C#N)c(C)c2c1 ZINC000411520958 823584103 /nfs/dbraw/zinc/58/41/03/823584103.db2.gz RWFNPJVXXGZKMX-OAHLLOKOSA-N 0 3 377.444 4.301 20 30 GIEDHN N#CC(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000124635453 823612925 /nfs/dbraw/zinc/61/29/25/823612925.db2.gz JKCGCQSAJGWVID-SFHVURJKSA-N 0 3 391.862 4.210 20 30 GIEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000062474969 823637086 /nfs/dbraw/zinc/63/70/86/823637086.db2.gz UKKAXYDTAKSGGW-HXUWFJFHSA-N 0 3 383.561 4.325 20 30 GIEDHN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000063251612 823656857 /nfs/dbraw/zinc/65/68/57/823656857.db2.gz RHCXIYXALCAVDG-UHFFFAOYSA-N 0 3 379.460 4.019 20 30 GIEDHN Cc1cc(CN2CCSCC2)ccc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000125391908 823672819 /nfs/dbraw/zinc/67/28/19/823672819.db2.gz SNNVRDPNWPQGNE-GOSISDBHSA-N 0 3 381.545 4.447 20 30 GIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000191430221 823684392 /nfs/dbraw/zinc/68/43/92/823684392.db2.gz JXTPJIWZLZXNHE-OAQYLSRUSA-N 0 3 398.595 4.172 20 30 GIEDHN N#CC(C(=O)CCCOc1ccccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000125587301 823687761 /nfs/dbraw/zinc/68/77/61/823687761.db2.gz NQLLMRMRNFLPDQ-ZDUSSCGKSA-N 0 3 392.789 4.125 20 30 GIEDHN CC(C)N1CCN(CCCSc2nc(-c3ccccc3)ccc2C#N)CC1 ZINC000412991947 823698581 /nfs/dbraw/zinc/69/85/81/823698581.db2.gz JPPGNQBZEHXKPU-UHFFFAOYSA-N 0 3 380.561 4.128 20 30 GIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000574506609 823751102 /nfs/dbraw/zinc/75/11/02/823751102.db2.gz PHNWUQCSOPRDSH-ZLGUVYLKSA-N 0 3 397.906 4.091 20 30 GIEDHN Cc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000064236924 823777774 /nfs/dbraw/zinc/77/77/74/823777774.db2.gz BCVMPMPKKITVIU-GCJKJVERSA-N 0 3 376.504 4.064 20 30 GIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126566815 823900669 /nfs/dbraw/zinc/90/06/69/823900669.db2.gz XFFGFGOHZZDYJN-INIZCTEOSA-N 0 3 384.911 4.046 20 30 GIEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126569718 823901727 /nfs/dbraw/zinc/90/17/27/823901727.db2.gz FWESNZMMZRZZSK-WBMJQRKESA-N 0 3 390.411 4.116 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)c2ccccc2F)cc1Cl ZINC000170672948 823933208 /nfs/dbraw/zinc/93/32/08/823933208.db2.gz JIJXTOZHSDPENN-IUODEOHRSA-N 0 3 388.826 4.329 20 30 GIEDHN N#CC(C(=O)CCCSc1ccc(Cl)cc1)C(=O)NCc1ccccc1 ZINC000126826892 823960917 /nfs/dbraw/zinc/96/09/17/823960917.db2.gz OGRJBZUTJGLFAX-SFHVURJKSA-N 0 3 386.904 4.238 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3c(cc2Br)CCC3)CC1 ZINC000192465714 824001691 /nfs/dbraw/zinc/00/16/91/824001691.db2.gz SBOLKYIMDCPFEI-UHFFFAOYSA-N 0 3 392.341 4.100 20 30 GIEDHN C=CCN1CCC(NC(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC000170946175 824011019 /nfs/dbraw/zinc/01/10/19/824011019.db2.gz WGGKAZKIZQBXAX-NRFANRHFSA-N 0 3 384.520 4.426 20 30 GIEDHN C=CCN1CCC(NC(=O)Cc2cccc(OCc3cccc(Cl)c3)c2)CC1 ZINC000170946213 824011442 /nfs/dbraw/zinc/01/14/42/824011442.db2.gz QZMZEFNTWONYNL-UHFFFAOYSA-N 0 3 398.934 4.228 20 30 GIEDHN COc1ccccc1C[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000170960447 824019420 /nfs/dbraw/zinc/01/94/20/824019420.db2.gz DUYBDPLYLSEGBN-RDTXWAMCSA-N 0 3 384.863 4.265 20 30 GIEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000171039156 824044479 /nfs/dbraw/zinc/04/44/79/824044479.db2.gz DNZYWJWJGAZCQC-QHCPKHFHSA-N 0 3 390.531 4.315 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000176001201 823092686 /nfs/dbraw/zinc/09/26/86/823092686.db2.gz OJGIEFQSIYZXDM-SFHVURJKSA-N 0 3 379.529 4.039 20 30 GIEDHN C[C@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000187666319 823109299 /nfs/dbraw/zinc/10/92/99/823109299.db2.gz LNJIZCJTPSIXKI-SJLPKXTDSA-N 0 3 380.467 4.292 20 30 GIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000121145091 823126745 /nfs/dbraw/zinc/12/67/45/823126745.db2.gz FCRVLKXSDAMJDP-QGZVFWFLSA-N 0 3 395.503 4.173 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188000509 823169822 /nfs/dbraw/zinc/16/98/22/823169822.db2.gz JROYGUDLCUTSCO-HNNXBMFYSA-N 0 3 383.458 4.149 20 30 GIEDHN C=CCN1CCC(NC(=O)[C@H](C)Sc2ccnc3cc(Cl)ccc32)CC1 ZINC000176285560 823172397 /nfs/dbraw/zinc/17/23/97/823172397.db2.gz IVTZLHZWZZSKEE-AWEZNQCLSA-N 0 3 389.952 4.135 20 30 GIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccn(C2CCCC2)n1 ZINC000121566679 823207385 /nfs/dbraw/zinc/20/73/85/823207385.db2.gz WAJNBAOIXVRBIS-ZDUSSCGKSA-N 0 3 391.258 4.266 20 30 GIEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccn(C2CCCC2)n1 ZINC000121580234 823210414 /nfs/dbraw/zinc/21/04/14/823210414.db2.gz ICAUALKGVHACPI-HNNXBMFYSA-N 0 3 391.258 4.266 20 30 GIEDHN N#CCCn1cc(CN2CC(Cc3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000459628259 823232375 /nfs/dbraw/zinc/23/23/75/823232375.db2.gz MDGOZHCQTNVDKN-UHFFFAOYSA-N 0 3 392.453 4.416 20 30 GIEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000121777133 823248343 /nfs/dbraw/zinc/24/83/43/823248343.db2.gz OEWGCCCLCIDJRK-ZDUSSCGKSA-N 0 3 392.198 4.171 20 30 GIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000121858694 823264406 /nfs/dbraw/zinc/26/44/06/823264406.db2.gz WGFOWNBOKIFKHF-SFHVURJKSA-N 0 3 391.452 4.267 20 30 GIEDHN CCCCn1ncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000121988416 823289319 /nfs/dbraw/zinc/28/93/19/823289319.db2.gz RQAVTBUPZSZWRQ-CYBMUJFWSA-N 0 3 393.274 4.260 20 30 GIEDHN C[C@@H](N[C@@H]1CCCN(C)c2ccccc21)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000572473384 823346360 /nfs/dbraw/zinc/34/63/60/823346360.db2.gz RYIKTDNXDREJNA-DYESRHJHSA-N 0 3 394.494 4.022 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccnc(N3CCCCC3)c2)ccc1OC ZINC000057964581 823351245 /nfs/dbraw/zinc/35/12/45/823351245.db2.gz GIQSPSMUBJZKPZ-UHFFFAOYSA-N 0 3 381.520 4.325 20 30 GIEDHN C=C(C)COc1cc(CN[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1OC ZINC000057967580 823351353 /nfs/dbraw/zinc/35/13/53/823351353.db2.gz WVEAJEGNXJUFAN-LJQANCHMSA-N 0 3 396.531 4.338 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)Nc1cc(C#N)ccc1C)c1cccc(OC)c1 ZINC000058453267 823393762 /nfs/dbraw/zinc/39/37/62/823393762.db2.gz CDNHBSTYHUQXSZ-NRFANRHFSA-N 0 3 380.492 4.080 20 30 GIEDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 ZINC000026644922 820128053 /nfs/dbraw/zinc/12/80/53/820128053.db2.gz QBDSNEJDMIKACH-UHFFFAOYSA-N 0 3 389.499 4.099 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc2ccccc2n1 ZINC000123326523 823496592 /nfs/dbraw/zinc/49/65/92/823496592.db2.gz MHMBUWWARLRNBE-UHFFFAOYSA-N 0 3 393.560 4.333 20 30 GIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN([C@H](C)C2CC2)C2CC2)c1C#N ZINC000031655188 820839771 /nfs/dbraw/zinc/83/97/71/820839771.db2.gz OOARXILZYDXWRC-GOSISDBHSA-N 0 3 390.531 4.226 20 30 GIEDHN N#Cc1ccccc1NC(=O)CCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060482765 823533006 /nfs/dbraw/zinc/53/30/06/823533006.db2.gz WCEBMNORMHZOHW-UHFFFAOYSA-N 0 3 395.890 4.135 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000042510154 821309504 /nfs/dbraw/zinc/30/95/04/821309504.db2.gz UDZBQDGUOOVOFG-XMSQKQJNSA-N 0 3 379.504 4.317 20 30 GIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180767992 821443702 /nfs/dbraw/zinc/44/37/02/821443702.db2.gz WDFSRWQOUCSPER-UHFFFAOYSA-N 0 3 381.907 4.099 20 30 GIEDHN COc1ccccc1NC(=O)C[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214786 821701429 /nfs/dbraw/zinc/70/14/29/821701429.db2.gz ORVOAWMVPWQBLA-OAHLLOKOSA-N 0 3 390.405 4.072 20 30 GIEDHN COc1ccc(NC(=O)C[C@@H](C)N[C@@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573045 821884868 /nfs/dbraw/zinc/88/48/68/821884868.db2.gz DJAVWYLOVRIEDP-APWZRJJASA-N 0 3 381.476 4.056 20 30 GIEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000181892589 822028922 /nfs/dbraw/zinc/02/89/22/822028922.db2.gz RGXLADXPPFXGMS-UHFFFAOYSA-N 0 3 384.455 4.294 20 30 GIEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000183111490 822425812 /nfs/dbraw/zinc/42/58/12/822425812.db2.gz CSDIYQPCNYVNQG-UUOWRZLLSA-N 0 3 396.494 4.466 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000454724998 822523784 /nfs/dbraw/zinc/52/37/84/822523784.db2.gz UUMHOIMWKRJCER-NFBKMPQASA-N 0 3 390.531 4.195 20 30 GIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001337 822593443 /nfs/dbraw/zinc/59/34/43/822593443.db2.gz MTFACXWJHSLBCC-FDDCHVKYSA-N 0 3 388.515 4.005 20 30 GIEDHN CC(=O)Nc1ccc(CNCc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000047699436 822600755 /nfs/dbraw/zinc/60/07/55/822600755.db2.gz IUIOIMJAFQZSAK-UHFFFAOYSA-N 0 3 385.467 4.385 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNCc3cccnc3-n3ccnc3)c2)c1 ZINC000047701376 822601020 /nfs/dbraw/zinc/60/10/20/822601020.db2.gz ILTKEOUWUXPKCQ-UHFFFAOYSA-N 0 3 395.466 4.008 20 30 GIEDHN C=CCC[C@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180034560 822601847 /nfs/dbraw/zinc/60/18/47/822601847.db2.gz RUODHLWZVCDFHA-NRFANRHFSA-N 0 3 377.488 4.049 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000180089567 822613098 /nfs/dbraw/zinc/61/30/98/822613098.db2.gz KFPUGQAXUAEKFJ-MOPGFXCFSA-N 0 3 392.503 4.106 20 30 GIEDHN CN(C)C[C@H](NC(=O)Nc1ccc(CC#N)cc1Cl)c1ccc(Cl)cc1 ZINC000455735235 822716939 /nfs/dbraw/zinc/71/69/39/822716939.db2.gz QEBSKCSJGJTDBA-SFHVURJKSA-N 0 3 391.302 4.484 20 30 GIEDHN CN(C)Cc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000052674992 822807127 /nfs/dbraw/zinc/80/71/27/822807127.db2.gz FPWUBVPBIZYACC-UHFFFAOYSA-N 0 3 375.428 4.044 20 30 GIEDHN C=C(C)[C@H](CC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)OCC ZINC000456793264 822831491 /nfs/dbraw/zinc/83/14/91/822831491.db2.gz QBNDMXYDFMRMSB-IBGZPJMESA-N 0 3 380.916 4.123 20 30 GIEDHN CCCN(CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1O ZINC000174840311 822844839 /nfs/dbraw/zinc/84/48/39/822844839.db2.gz ZFPNVNIPNUZTLP-UHFFFAOYSA-N 0 3 375.472 4.355 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCc2csc(C)n2)cc1 ZINC000175108198 822883436 /nfs/dbraw/zinc/88/34/36/822883436.db2.gz KTCXVQWSIJSRLM-IBGZPJMESA-N 0 3 383.517 4.464 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000175110286 822884122 /nfs/dbraw/zinc/88/41/22/822884122.db2.gz OKOZZXFTNBYQJK-VXGBXAGGSA-N 0 3 376.865 4.251 20 30 GIEDHN COc1ccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000175112197 822884603 /nfs/dbraw/zinc/88/46/03/822884603.db2.gz QGWTURKRAMUXJR-BLLLJJGKSA-N 0 3 388.826 4.329 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CNCc2ccc3c(c2)COC(C)(C)O3)ccc1OC ZINC000186383187 822885711 /nfs/dbraw/zinc/88/57/11/822885711.db2.gz FRZBHMJGPTUSJL-LJQANCHMSA-N 0 3 396.487 4.311 20 30 GIEDHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000054727012 822907939 /nfs/dbraw/zinc/90/79/39/822907939.db2.gz LEKJWJPZMDQDHM-SJLPKXTDSA-N 0 3 380.492 4.080 20 30 GIEDHN CCN1CCN(c2ccc(NC(=O)c3cccc(SCC#N)c3)c(C)c2)CC1 ZINC000175531655 822991873 /nfs/dbraw/zinc/99/18/73/822991873.db2.gz LMORTVMRJAVMLF-UHFFFAOYSA-N 0 3 394.544 4.005 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)CCCCC2 ZINC000060575930 823544033 /nfs/dbraw/zinc/54/40/33/823544033.db2.gz CUHVNUOPSQEOLT-UHFFFAOYSA-N 0 3 381.545 4.093 20 30 GIEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccc(C)cc1 ZINC000123892222 823549532 /nfs/dbraw/zinc/54/95/32/823549532.db2.gz MACRYSRJBZWAMY-OAHLLOKOSA-N 0 3 397.529 4.007 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCc2nc(C3CC3)no2)cc1 ZINC000124098653 823567500 /nfs/dbraw/zinc/56/75/00/823567500.db2.gz BXFINHIGAULGIC-KBXCAEBGSA-N 0 3 394.475 4.131 20 30 GIEDHN Cc1cccnc1[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000411385015 823568346 /nfs/dbraw/zinc/56/83/46/823568346.db2.gz WLMIXUKRZNAWBR-LJQANCHMSA-N 0 3 382.533 4.127 20 30 GIEDHN CC[C@@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000124228696 823579188 /nfs/dbraw/zinc/57/91/88/823579188.db2.gz YADFYYPTRKHTLL-HXUWFJFHSA-N 0 3 385.895 4.336 20 30 GIEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411539623 823586515 /nfs/dbraw/zinc/58/65/15/823586515.db2.gz FPKIRUPVTLULHC-ZDUSSCGKSA-N 0 3 387.915 4.151 20 30 GIEDHN COc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614092 823591840 /nfs/dbraw/zinc/59/18/40/823591840.db2.gz HILNVYRKEFMWJY-GAJHUEQPSA-N 0 3 399.494 4.172 20 30 GIEDHN CC(C)COc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627041 823593291 /nfs/dbraw/zinc/59/32/91/823593291.db2.gz QAFZHTNIZCXISU-FDDCHVKYSA-N 0 3 391.515 4.045 20 30 GIEDHN Cn1cc(CNCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1C#N ZINC000190707443 823600554 /nfs/dbraw/zinc/60/05/54/823600554.db2.gz LRUUGMCVBXVUAC-UHFFFAOYSA-N 0 3 385.446 4.178 20 30 GIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000062369888 823630246 /nfs/dbraw/zinc/63/02/46/823630246.db2.gz OXQGAPWPCNMLLD-UHFFFAOYSA-N 0 3 391.302 4.461 20 30 GIEDHN CC(C)(C)[C@H]1CCc2sc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108723 823652238 /nfs/dbraw/zinc/65/22/38/823652238.db2.gz QDMYHSDINXHIRT-GJZGRUSLSA-N 0 3 381.501 4.255 20 30 GIEDHN N#CC(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc(C(F)(F)F)cn1 ZINC000125126601 823653502 /nfs/dbraw/zinc/65/35/02/823653502.db2.gz YLZAITMBVHSXEH-HNNXBMFYSA-N 0 3 390.752 4.430 20 30 GIEDHN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125270830 823663784 /nfs/dbraw/zinc/66/37/84/823663784.db2.gz STDVDBCPUMITRQ-CMPLNLGQSA-N 0 3 394.283 4.217 20 30 GIEDHN C[C@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739953 823689876 /nfs/dbraw/zinc/68/98/76/823689876.db2.gz ZFFHOKVUGPORLY-PXNSSMCTSA-N 0 3 381.545 4.313 20 30 GIEDHN N#CCc1ccc(OC[C@@H](O)CN2CC=C(c3cccc4ccccc43)CC2)cc1 ZINC000063774982 823694882 /nfs/dbraw/zinc/69/48/82/823694882.db2.gz RGGVXOOEMSTZBJ-QHCPKHFHSA-N 0 3 398.506 4.435 20 30 GIEDHN N#Cc1cccc(NC(=O)C2CCN(C/C=C\c3ccc(F)c(F)c3)CC2)c1 ZINC000574320664 823702235 /nfs/dbraw/zinc/70/22/35/823702235.db2.gz WKQUKPHOBGIESC-RQOWECAXSA-N 0 3 381.426 4.200 20 30 GIEDHN CCC(CC)N(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)C1CC1 ZINC000165342836 823844416 /nfs/dbraw/zinc/84/44/16/823844416.db2.gz APTZURYGTQCJAW-UHFFFAOYSA-N 0 3 382.508 4.209 20 30 GIEDHN N#Cc1ccc(CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1F ZINC000192097326 823859148 /nfs/dbraw/zinc/85/91/48/823859148.db2.gz KQAPKPKIIFSVJQ-QGZVFWFLSA-N 0 3 380.398 4.266 20 30 GIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C2CC2)C2CCCC2)c1C#N ZINC000064808611 823889226 /nfs/dbraw/zinc/88/92/26/823889226.db2.gz KIBMUWMBPZQSGY-UHFFFAOYSA-N 0 3 390.531 4.370 20 30 GIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2nc(-c3ccsc3)oc2C)cc1 ZINC000170709732 823950413 /nfs/dbraw/zinc/95/04/13/823950413.db2.gz AVLSQASFCMGOIT-KRWDZBQOSA-N 0 3 393.468 4.164 20 30 GIEDHN N#Cc1nc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)cc1Cl ZINC001164623339 719108653 /nfs/dbraw/zinc/10/86/53/719108653.db2.gz CMLJLMRSZFIYQS-KXBFYZLASA-N 0 3 387.314 4.361 20 30 GIEDHN N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCN(C2CCCC2)CC1 ZINC001165033457 721863193 /nfs/dbraw/zinc/86/31/93/721863193.db2.gz PJFSXVMHKQUHBK-UHFFFAOYSA-N 0 3 375.303 4.478 20 30 GIEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@H](CCCC#N)c2ccccc2)o1 ZINC000458799910 823087545 /nfs/dbraw/zinc/08/75/45/823087545.db2.gz KJPNZNXZYQOFLW-OAQYLSRUSA-N 0 3 382.508 4.096 20 30 GIEDHN Cc1ccc(CN(CCN(C)C)C(=O)N[C@@H](CCCC#N)c2ccccc2)o1 ZINC000458799909 823087618 /nfs/dbraw/zinc/08/76/18/823087618.db2.gz KJPNZNXZYQOFLW-NRFANRHFSA-N 0 3 382.508 4.096 20 30 GIEDHN CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458799967 823087674 /nfs/dbraw/zinc/08/76/74/823087674.db2.gz KSVHJLRAYZUSIK-PKTZIBPZSA-N 0 3 390.531 4.337 20 30 GIEDHN Cc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)N2CCCC2)cc1 ZINC000176033800 823101759 /nfs/dbraw/zinc/10/17/59/823101759.db2.gz FBOZNSXUFKETJX-NRFANRHFSA-N 0 3 379.529 4.178 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N(C)C2c3ccccc3-c3ccccc32)CC1 ZINC000176055139 823108233 /nfs/dbraw/zinc/10/82/33/823108233.db2.gz PTUGSENBUWQREB-UHFFFAOYSA-N 0 3 375.516 4.438 20 30 GIEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000121580403 823210283 /nfs/dbraw/zinc/21/02/83/823210283.db2.gz DMIIOGOBIDXAFE-CYBMUJFWSA-N 0 3 381.190 4.102 20 30 GIEDHN N#Cc1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)s1 ZINC000176975659 823340030 /nfs/dbraw/zinc/34/00/30/823340030.db2.gz DQGVKGRZZORXIT-UHFFFAOYSA-N 0 3 377.307 4.178 20 30 GIEDHN CC(C)(C)N1CC[C@@H](NCc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572538973 823357037 /nfs/dbraw/zinc/35/70/37/823357037.db2.gz PICUYBFSEALOMW-WOJBJXKFSA-N 0 3 386.902 4.449 20 30 GIEDHN C=CCc1cc(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)cc(OC)c1OC ZINC000022684385 818842939 /nfs/dbraw/zinc/84/29/39/818842939.db2.gz SZADJHAEMXMAGI-OAQYLSRUSA-N 0 3 396.531 4.027 20 30 GIEDHN Fc1ccc(C2(NCC#Cc3ccc(C(F)(F)F)cc3)CCOCC2)cc1 ZINC000177152291 823384555 /nfs/dbraw/zinc/38/45/55/823384555.db2.gz NOADIPWGCWKPMT-UHFFFAOYSA-N 0 3 377.381 4.492 20 30 GIEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000025865893 820032500 /nfs/dbraw/zinc/03/25/00/820032500.db2.gz AVTQJDNNHVYVMD-XMMPIXPASA-N 0 3 386.495 4.195 20 30 GIEDHN CN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000573403179 823488775 /nfs/dbraw/zinc/48/87/75/823488775.db2.gz QGBJQVDYKHVTLS-OKILXGFUSA-N 0 3 385.455 4.294 20 30 GIEDHN Fc1ccc(C#CCNC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000573433238 823492733 /nfs/dbraw/zinc/49/27/33/823492733.db2.gz ABSSOEZEZCUTNY-UHFFFAOYSA-N 0 3 377.381 4.492 20 30 GIEDHN CCc1nc(COc2ccc(C(=O)C(C#N)c3nc(C(C)C)cs3)cc2)no1 ZINC000177764952 823522619 /nfs/dbraw/zinc/52/26/19/823522619.db2.gz SBZFSCUHNIBWDR-OAHLLOKOSA-N 0 3 396.472 4.281 20 30 GIEDHN C=CCC[C@H](C(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000190003699 823524318 /nfs/dbraw/zinc/52/43/18/823524318.db2.gz JHDBRKDJIKZADL-DEOSSOPVSA-N 0 3 392.543 4.010 20 30 GIEDHN CN(CC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCSC1 ZINC000123688954 823531893 /nfs/dbraw/zinc/53/18/93/823531893.db2.gz BWMYABXUPAPKSY-HUUCEWRRSA-N 0 3 391.949 4.077 20 30 GIEDHN C[C@@H]1C[C@H](C)Cc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c21 ZINC000411009495 823532759 /nfs/dbraw/zinc/53/27/59/823532759.db2.gz JPZFXVBOVLYOQE-JJRVBVJISA-N 0 3 388.496 4.498 20 30 GIEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2[nH]1 ZINC000041495905 821198183 /nfs/dbraw/zinc/19/81/83/821198183.db2.gz WSONMVWAPKTWOV-CQSZACIVSA-N 0 3 391.818 4.075 20 30 GIEDHN Cc1csc(C(C#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000041521482 821205100 /nfs/dbraw/zinc/20/51/00/821205100.db2.gz XMINZBCEWJQWDO-MRXNPFEDSA-N 0 3 392.440 4.462 20 30 GIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000181121132 821646333 /nfs/dbraw/zinc/64/63/33/821646333.db2.gz IUSMLXKIXHXDTL-AWEZNQCLSA-N 0 3 378.398 4.030 20 30 GIEDHN C[C@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181739514 821970840 /nfs/dbraw/zinc/97/08/40/821970840.db2.gz HLMOZKSXHYLBPZ-SFHVURJKSA-N 0 3 380.488 4.135 20 30 GIEDHN CC[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809725 822001776 /nfs/dbraw/zinc/00/17/76/822001776.db2.gz FCMBAKXIUBSRMY-IIBYNOLFSA-N 0 3 383.467 4.210 20 30 GIEDHN Cc1oc(NC(=O)[C@@H](C)N[C@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887474 822027166 /nfs/dbraw/zinc/02/71/66/822027166.db2.gz OLEDWVLDUQIILV-HZPDHXFCSA-N 0 3 380.492 4.046 20 30 GIEDHN Cc1nc(-c2ccccc2)ncc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178084112 822312495 /nfs/dbraw/zinc/31/24/95/822312495.db2.gz IPSROFJSRYDGDM-QGZVFWFLSA-N 0 3 390.830 4.067 20 30 GIEDHN CCN(Cc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1)C(C)=O ZINC000182624006 822327394 /nfs/dbraw/zinc/32/73/94/822327394.db2.gz HVTLLVQZDXYIFS-UHFFFAOYSA-N 0 3 390.531 4.003 20 30 GIEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000178383878 822373618 /nfs/dbraw/zinc/37/36/18/822373618.db2.gz ZQLCTFSPQDFXAR-UHFFFAOYSA-N 0 3 390.531 4.073 20 30 GIEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000045405216 822385216 /nfs/dbraw/zinc/38/52/16/822385216.db2.gz KMKHLAQFYGUPOM-OAQYLSRUSA-N 0 3 398.938 4.436 20 30 GIEDHN C=CCc1cc(CN2CCC3(CC2)OCCc2ccccc23)cc(OC)c1O ZINC000453575939 822386782 /nfs/dbraw/zinc/38/67/82/822386782.db2.gz OILXJIWMEKEVOD-UHFFFAOYSA-N 0 3 379.500 4.193 20 30 GIEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179794064 822554239 /nfs/dbraw/zinc/55/42/39/822554239.db2.gz BOHSTNUOKAMYFO-CQSZACIVSA-N 0 3 399.237 4.140 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(F)cc3OCC(F)F)CC2)cc1 ZINC000179858269 822567429 /nfs/dbraw/zinc/56/74/29/822567429.db2.gz KDOASFGUGHFRJF-UHFFFAOYSA-N 0 3 389.421 4.418 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000180016372 822597235 /nfs/dbraw/zinc/59/72/35/822597235.db2.gz SJGLTESNKGWYRN-ICSRJNTNSA-N 0 3 392.503 4.106 20 30 GIEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)N2CCCC2)cc1 ZINC000180038717 822602394 /nfs/dbraw/zinc/60/23/94/822602394.db2.gz DOCQRTQVGKPGPH-GHTZIAJQSA-N 0 3 392.503 4.245 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000184302918 822611036 /nfs/dbraw/zinc/61/10/36/822611036.db2.gz PBSOIENLKHODPA-OALUTQOASA-N 0 3 392.503 4.106 20 30 GIEDHN Cn1cc(CNCc2ccc(Br)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180155756 822628648 /nfs/dbraw/zinc/62/86/48/822628648.db2.gz UEKKPRDBYKMAGB-UHFFFAOYSA-N 0 3 399.267 4.150 20 30 GIEDHN CN(C(=O)Nc1ccc(CC#N)cc1Cl)[C@H]1CCN(Cc2ccccc2)C1 ZINC000455706820 822708537 /nfs/dbraw/zinc/70/85/37/822708537.db2.gz QTUVKKOUBGKUKK-SFHVURJKSA-N 0 3 382.895 4.144 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724503 822714254 /nfs/dbraw/zinc/71/42/54/822714254.db2.gz CDUDFJJHTNALGI-FOIQADDNSA-N 0 3 382.895 4.048 20 30 GIEDHN N#CCc1ccc(NC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c(Cl)c1 ZINC000455749820 822719448 /nfs/dbraw/zinc/71/94/48/822719448.db2.gz KXCMKBVYRDPXFR-FQEVSTJZSA-N 0 3 382.895 4.365 20 30 GIEDHN COc1ccc(CNCc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1C#N ZINC000174326389 822771480 /nfs/dbraw/zinc/77/14/80/822771480.db2.gz XALNEYPPLHQULY-UHFFFAOYSA-N 0 3 389.430 4.248 20 30 GIEDHN COc1cc(CN[C@H](C)c2cccc(C#N)c2)cc(Br)c1OC ZINC000174430374 822789188 /nfs/dbraw/zinc/78/91/88/822789188.db2.gz YFEHJXJLFCHMER-GFCCVEGCSA-N 0 3 375.266 4.189 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccc(C)cc2)Cc2ccco2)CC1 ZINC000174770538 822834927 /nfs/dbraw/zinc/83/49/27/822834927.db2.gz VDUJBOOSQCZZGS-UHFFFAOYSA-N 0 3 395.547 4.383 20 30 GIEDHN Cc1cc(C#N)ccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000186266645 822867155 /nfs/dbraw/zinc/86/71/55/822867155.db2.gz BKYUTZMTXZLVSH-UHFFFAOYSA-N 0 3 383.879 4.076 20 30 GIEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[C@@H]1C(F)(F)F ZINC000190176373 823546570 /nfs/dbraw/zinc/54/65/70/823546570.db2.gz UHXGRMAKKGUXPU-HNNXBMFYSA-N 0 3 399.482 4.347 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNCc3ccnc(-n4cccn4)c3)c2)c1 ZINC000060975256 823570668 /nfs/dbraw/zinc/57/06/68/823570668.db2.gz HHBQMHDBPNIGCI-UHFFFAOYSA-N 0 3 395.466 4.008 20 30 GIEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(Cc3cccnc3)C3CC3)sc2C1 ZINC000411418837 823572087 /nfs/dbraw/zinc/57/20/87/823572087.db2.gz NZLJJLAWJKQRBH-OAHLLOKOSA-N 0 3 394.544 4.133 20 30 GIEDHN COc1ccc(-c2cncc(C(=O)C(C#N)c3nc4ccccc4n3C)c2)cc1 ZINC000124413971 823594682 /nfs/dbraw/zinc/59/46/82/823594682.db2.gz WANXXTXQZKVWLL-LJQANCHMSA-N 0 3 382.423 4.134 20 30 GIEDHN CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000061776922 823613561 /nfs/dbraw/zinc/61/35/61/823613561.db2.gz NWHUYCVYZJSTON-NRFANRHFSA-N 0 3 392.503 4.224 20 30 GIEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411999624 823619868 /nfs/dbraw/zinc/61/98/68/823619868.db2.gz NBVCPLSQXQZHKQ-LADGPHEKSA-N 0 3 393.527 4.009 20 30 GIEDHN CCCCOc1cc(OC)ccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190971270 823632580 /nfs/dbraw/zinc/63/25/80/823632580.db2.gz OLFKJLDUOMUGLL-QGZVFWFLSA-N 0 3 375.428 4.307 20 30 GIEDHN COc1ccc([C@H](NCCOc2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000063472723 823674585 /nfs/dbraw/zinc/67/45/85/823674585.db2.gz AQNQBJLAPXIJOZ-HSZRJFAPSA-N 0 3 376.431 4.464 20 30 GIEDHN CCC[C@H](C)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000063499557 823676439 /nfs/dbraw/zinc/67/64/39/823676439.db2.gz OUHHTQRHNAMWFM-HNNXBMFYSA-N 0 3 384.499 4.223 20 30 GIEDHN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000192052139 823845053 /nfs/dbraw/zinc/84/50/53/823845053.db2.gz NSLQYOGZVYCQNM-ORYQWCPZSA-N 0 3 397.906 4.095 20 30 GIEDHN C[C@@H](N[C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000126408617 823859449 /nfs/dbraw/zinc/85/94/49/823859449.db2.gz BVTFHCHUBOGGFZ-VQTJNVASSA-N 0 3 390.531 4.273 20 30 GIEDHN C[C@H](Oc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126569124 823901092 /nfs/dbraw/zinc/90/10/92/823901092.db2.gz FWESNZMMZRZZSK-BLLLJJGKSA-N 0 3 390.411 4.116 20 30 GIEDHN Cn1cc(-c2ccc(CN3CCC(Oc4cccc(C#N)c4)CC3)s2)cn1 ZINC000575876769 824018041 /nfs/dbraw/zinc/01/80/41/824018041.db2.gz MQQBROQNUUONBF-UHFFFAOYSA-N 0 3 378.501 4.064 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCc1cc(C)sc1C ZINC000175944261 823078714 /nfs/dbraw/zinc/07/87/14/823078714.db2.gz HXHONXOMVRPHFR-QGZVFWFLSA-N 0 3 384.501 4.434 20 30 GIEDHN CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000458799968 823087662 /nfs/dbraw/zinc/08/76/62/823087662.db2.gz KSVHJLRAYZUSIK-XZOQPEGZSA-N 0 3 390.531 4.337 20 30 GIEDHN N#CCCC[C@H](NC(=O)N1CCN(CC2CCCCC2)CC1)c1ccccc1 ZINC000458801824 823087972 /nfs/dbraw/zinc/08/79/72/823087972.db2.gz OBKIGTUUBGQDHE-QFIPXVFZSA-N 0 3 382.552 4.329 20 30 GIEDHN CN(C)C[C@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000570836140 823093604 /nfs/dbraw/zinc/09/36/04/823093604.db2.gz NMYVFFXNLCFHTM-KRWDZBQOSA-N 0 3 394.372 4.141 20 30 GIEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000570836144 823093618 /nfs/dbraw/zinc/09/36/18/823093618.db2.gz NMYVFFXNLCFHTM-QGZVFWFLSA-N 0 3 394.372 4.141 20 30 GIEDHN CCCN(C(=O)N[C@H]1CC[C@@H](CC#N)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000459021441 823117730 /nfs/dbraw/zinc/11/77/30/823117730.db2.gz XFEJPXIBJUGLMG-BVSLBCMMSA-N 0 3 382.552 4.155 20 30 GIEDHN C=CCOc1ccc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000121166261 823131038 /nfs/dbraw/zinc/13/10/38/823131038.db2.gz XHDIUDNKKAPRNB-QHCPKHFHSA-N 0 3 381.472 4.272 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(-c3ccc(OC)cc3)cs2)CC1 ZINC000176336892 823185830 /nfs/dbraw/zinc/18/58/30/823185830.db2.gz KHRHDGSLUBIDLF-UHFFFAOYSA-N 0 3 399.560 4.263 20 30 GIEDHN CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000459598631 823227526 /nfs/dbraw/zinc/22/75/26/823227526.db2.gz YYARRHBMFGKTDH-WBVHZDCISA-N 0 3 383.521 4.013 20 30 GIEDHN COc1ccc([C@H](CCC#N)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787776 823234466 /nfs/dbraw/zinc/23/44/66/823234466.db2.gz CGUMBKFZQHFABP-ZEQRLZLVSA-N 0 3 393.531 4.012 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783593 823250551 /nfs/dbraw/zinc/25/05/51/823250551.db2.gz ZDYWRPXOHQGCHA-LIRRHRJNSA-N 0 3 379.416 4.378 20 30 GIEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@H]2C1 ZINC000571994905 823267104 /nfs/dbraw/zinc/26/71/04/823267104.db2.gz RANPANQAIJPGAZ-UZLBHIALSA-N 0 3 392.528 4.267 20 30 GIEDHN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000176726439 823278604 /nfs/dbraw/zinc/27/86/04/823278604.db2.gz PZQLUTAWSBUGFO-CQSZACIVSA-N 0 3 384.342 4.149 20 30 GIEDHN COc1ccc([C@H](C)NCc2ccc(C#N)c(OC)c2)cc1Br ZINC000572083265 823280604 /nfs/dbraw/zinc/28/06/04/823280604.db2.gz ILSNWTBGRWWWOT-LBPRGKRZSA-N 0 3 375.266 4.189 20 30 GIEDHN N#Cc1cc(CNC2(c3ccc(Br)cc3)CCOCC2)ccc1F ZINC000176819453 823301204 /nfs/dbraw/zinc/30/12/04/823301204.db2.gz REAIIXMCJGLCHI-UHFFFAOYSA-N 0 3 389.268 4.255 20 30 GIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000122337851 823340214 /nfs/dbraw/zinc/34/02/14/823340214.db2.gz JWVLBNDXRYQWRC-OAHLLOKOSA-N 0 3 384.461 4.086 20 30 GIEDHN C=C(C)COc1cc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000057964468 823351014 /nfs/dbraw/zinc/35/10/14/823351014.db2.gz RUHSEJLVHVEOKJ-INIZCTEOSA-N 0 3 380.488 4.386 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC000122890958 823429676 /nfs/dbraw/zinc/42/96/76/823429676.db2.gz POSLRXOZAHWPNV-MRXNPFEDSA-N 0 3 376.412 4.410 20 30 GIEDHN C=CCOc1ccc(CN(Cc2cc(=O)n3ccccc3n2)C(C)(C)C)cc1 ZINC000177848047 823535781 /nfs/dbraw/zinc/53/57/81/823535781.db2.gz ZKDAVAKZTYGPEF-UHFFFAOYSA-N 0 3 377.488 4.060 20 30 GIEDHN Cc1ccc(C(=O)CCC(=O)CCC(=O)C(C#N)c2nc3ccccc3o2)s1 ZINC000041539793 821206724 /nfs/dbraw/zinc/20/67/24/821206724.db2.gz BSBNFTXHIFIPPS-OAHLLOKOSA-N 0 3 394.452 4.386 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc3c(c2)OCCCO3)ccc1OC ZINC000180810932 821472167 /nfs/dbraw/zinc/47/21/67/821472167.db2.gz SMIYDCOSMBKNJD-VQIMIIECSA-N 0 3 396.487 4.388 20 30 GIEDHN C[C@@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181286774 821735847 /nfs/dbraw/zinc/73/58/47/821735847.db2.gz RMOGNBBEEVGROT-ZWKOTPCHSA-N 0 3 376.504 4.130 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)c2sc(-c3ccc(F)c(F)c3)nc2C)CC1 ZINC000181696322 821947875 /nfs/dbraw/zinc/94/78/75/821947875.db2.gz OMIPDYDNIXUDQN-UHFFFAOYSA-N 0 3 391.487 4.167 20 30 GIEDHN C[C@@H](NCc1cccc(COC2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181739532 821970668 /nfs/dbraw/zinc/97/06/68/821970668.db2.gz HLMOZKSXHYLBPZ-GOSISDBHSA-N 0 3 380.488 4.135 20 30 GIEDHN C[C@@H](NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181920069 822036547 /nfs/dbraw/zinc/03/65/47/822036547.db2.gz ZEDLEVZZPFLFFE-GOSISDBHSA-N 0 3 377.488 4.066 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3ccnn3Cc3ccccc3F)CC2)cc1 ZINC000182388638 822225561 /nfs/dbraw/zinc/22/55/61/822225561.db2.gz MZJXQTUGQXJUNG-UHFFFAOYSA-N 0 3 389.478 4.019 20 30 GIEDHN CCN(CC)S(=O)(=O)c1ccc([C@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000178176671 822343101 /nfs/dbraw/zinc/34/31/01/822343101.db2.gz GZOQJUXRIJUCQY-IRXDYDNUSA-N 0 3 385.533 4.001 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179372485 822472941 /nfs/dbraw/zinc/47/29/41/822472941.db2.gz OFRWBAWOKFNKKB-JKSUJKDBSA-N 0 3 385.533 4.360 20 30 GIEDHN COc1ccc(Br)c(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000179457882 822485806 /nfs/dbraw/zinc/48/58/06/822485806.db2.gz WGFZGIKYRUKLNL-CYBMUJFWSA-N 0 3 385.217 4.018 20 30 GIEDHN CCN(Cc1ccccc1OCC(=O)NCC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463852 822486524 /nfs/dbraw/zinc/48/65/24/822486524.db2.gz RTGRYQPHQHMPBY-SFHVURJKSA-N 0 3 391.515 4.046 20 30 GIEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2n1 ZINC000179616389 822513533 /nfs/dbraw/zinc/51/35/33/822513533.db2.gz KHMVLAHBLIDOAH-NSHDSACASA-N 0 3 388.210 4.404 20 30 GIEDHN CC[C@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1OCC(=O)N(C)C ZINC000179730155 822537104 /nfs/dbraw/zinc/53/71/04/822537104.db2.gz CFSUVFPAIFCTNH-NRFANRHFSA-N 0 3 393.531 4.196 20 30 GIEDHN C=CCC1(CNC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CCCC1 ZINC000454871410 822549174 /nfs/dbraw/zinc/54/91/74/822549174.db2.gz LCUUKCSBIOROGF-UHFFFAOYSA-N 0 3 387.490 4.227 20 30 GIEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000179795342 822554351 /nfs/dbraw/zinc/55/43/51/822554351.db2.gz KEHMWTPINGLDDC-PBHICJAKSA-N 0 3 384.863 4.265 20 30 GIEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1C(=O)NC(C)C ZINC000179844835 822565178 /nfs/dbraw/zinc/56/51/78/822565178.db2.gz TVGMNFYQCNDISJ-UHFFFAOYSA-N 0 3 390.531 4.081 20 30 GIEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000180016358 822597065 /nfs/dbraw/zinc/59/70/65/822597065.db2.gz SJGLTESNKGWYRN-UYAOXDASSA-N 0 3 392.503 4.106 20 30 GIEDHN COc1ccc2cc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)ccc2c1 ZINC000180038228 822602438 /nfs/dbraw/zinc/60/24/38/822602438.db2.gz RQUSHCFJSGZQKY-UHFFFAOYSA-N 0 3 382.467 4.410 20 30 GIEDHN N#CC1(c2ccc(C(=O)N3CCCN(CCCc4ccccc4)CC3)cc2)CC1 ZINC000180219433 822641634 /nfs/dbraw/zinc/64/16/34/822641634.db2.gz XLMWIDKXNFWVAU-UHFFFAOYSA-N 0 3 387.527 4.022 20 30 GIEDHN C[C@@H](NCc1ccc(-c2ccccc2C#N)cc1)c1ccc(-n2cnnn2)cc1 ZINC000180221827 822642213 /nfs/dbraw/zinc/64/22/13/822642213.db2.gz LQCQMNHQLKAXBW-QGZVFWFLSA-N 0 3 380.455 4.052 20 30 GIEDHN N#Cc1ccc([C@H](O)CN[C@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327938 822664202 /nfs/dbraw/zinc/66/42/02/822664202.db2.gz RENJLTMRQXWMQE-FGZHOGPDSA-N 0 3 376.431 4.141 20 30 GIEDHN N#Cc1ccc([C@H](O)CN[C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327957 822664223 /nfs/dbraw/zinc/66/42/23/822664223.db2.gz RENJLTMRQXWMQE-FCHUYYIVSA-N 0 3 376.431 4.141 20 30 GIEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180402800 822675972 /nfs/dbraw/zinc/67/59/72/822675972.db2.gz BEDYDQWYSHWFFD-ZDUSSCGKSA-N 0 3 398.488 4.086 20 30 GIEDHN CCCc1c(C(=O)C(C#N)c2nc3ccccc3s2)[nH]c(C)c1C(=O)OC ZINC000048824841 822684681 /nfs/dbraw/zinc/68/46/81/822684681.db2.gz LOBHRHAFGMMPBU-ZDUSSCGKSA-N 0 3 381.457 4.162 20 30 GIEDHN N#CCOc1ccc(CN[C@H]2CCCOc3ccc(Br)cc32)cc1 ZINC000180548892 822700170 /nfs/dbraw/zinc/70/01/70/822700170.db2.gz HAZWDNJIWJXWCA-SFHVURJKSA-N 0 3 387.277 4.355 20 30 GIEDHN N#CCc1ccc(NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c(Cl)c1 ZINC000455744283 822718439 /nfs/dbraw/zinc/71/84/39/822718439.db2.gz FDMWGQJKWJWBGC-HXUWFJFHSA-N 0 3 382.895 4.365 20 30 GIEDHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 ZINC000455935518 822752769 /nfs/dbraw/zinc/75/27/69/822752769.db2.gz AZXKHLUGXFDBGB-INIZCTEOSA-N 0 3 380.517 4.267 20 30 GIEDHN COc1ccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000175112212 822884555 /nfs/dbraw/zinc/88/45/55/822884555.db2.gz QGWTURKRAMUXJR-MLGOLLRUSA-N 0 3 388.826 4.329 20 30 GIEDHN N#CCSc1cccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000175697451 823022750 /nfs/dbraw/zinc/02/27/50/823022750.db2.gz QPVMPBCVCKYEPS-FQEVSTJZSA-N 0 3 379.529 4.087 20 30 GIEDHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411547513 823587222 /nfs/dbraw/zinc/58/72/22/823587222.db2.gz VNSBRARCKVLVTR-ZDUSSCGKSA-N 0 3 399.564 4.048 20 30 GIEDHN COc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614129 823591864 /nfs/dbraw/zinc/59/18/64/823591864.db2.gz HILNVYRKEFMWJY-SBUREZEXSA-N 0 3 399.494 4.172 20 30 GIEDHN N#Cc1ccccc1NC(=O)CCNC1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000411769293 823603660 /nfs/dbraw/zinc/60/36/60/823603660.db2.gz JZJMMHQOLHTGQQ-UHFFFAOYSA-N 0 3 389.377 4.064 20 30 GIEDHN CSc1ccccc1OC[C@H](O)CN(Cc1ccc(C#N)c(F)c1)C(C)C ZINC000411985041 823618159 /nfs/dbraw/zinc/61/81/59/823618159.db2.gz NNHFYOXBFQSTDW-GOSISDBHSA-N 0 3 388.508 4.070 20 30 GIEDHN C[C@@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000124769145 823624845 /nfs/dbraw/zinc/62/48/45/823624845.db2.gz FMOJLWPAFAQGNC-XOKHGSTOSA-N 0 3 385.405 4.172 20 30 GIEDHN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125087000 823651070 /nfs/dbraw/zinc/65/10/70/823651070.db2.gz ZNQLOYSMKWTHRN-CQSZACIVSA-N 0 3 396.859 4.128 20 30 GIEDHN COc1ccc(CCN(Cc2ccsc2)Cc2cc(C#N)n(C)c2)cc1OC ZINC000191417215 823683032 /nfs/dbraw/zinc/68/30/32/823683032.db2.gz CJLHWYBTDKZIAC-UHFFFAOYSA-N 0 3 395.528 4.220 20 30 GIEDHN COCC[N@H+](Cc1ccc(C#N)cc1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000063730241 823692541 /nfs/dbraw/zinc/69/25/41/823692541.db2.gz GNJLVMXZKDVBQS-UHFFFAOYSA-N 0 3 376.456 4.074 20 30 GIEDHN COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1c([O-])ccc2ccc(OC)cc21 ZINC000063730241 823692543 /nfs/dbraw/zinc/69/25/43/823692543.db2.gz GNJLVMXZKDVBQS-UHFFFAOYSA-N 0 3 376.456 4.074 20 30 GIEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000125689089 823696893 /nfs/dbraw/zinc/69/68/93/823696893.db2.gz PERUYMBUBZQZFG-GOSISDBHSA-N 0 3 383.517 4.066 20 30 GIEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000125689556 823697001 /nfs/dbraw/zinc/69/70/01/823697001.db2.gz XCQWKJAOIGTFSC-GOSISDBHSA-N 0 3 383.517 4.066 20 30 GIEDHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(C2CCCCC2)no1 ZINC000191577095 823703076 /nfs/dbraw/zinc/70/30/76/823703076.db2.gz FUZPIKKIVUFFJC-QGZVFWFLSA-N 0 3 393.535 4.304 20 30 GIEDHN COc1ccc(CN2CC[C@@]3(C2)CCc2ccccc2O3)cc1OCCCC#N ZINC000574562706 823767595 /nfs/dbraw/zinc/76/75/95/823767595.db2.gz CNPSAAACARBCRA-XMMPIXPASA-N 0 3 392.499 4.347 20 30 GIEDHN CC(C)(C)OC(=O)N(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C1CC1 ZINC000126272853 823826161 /nfs/dbraw/zinc/82/61/61/823826161.db2.gz RXYIXVZTDJUBSC-MRXNPFEDSA-N 0 3 397.500 4.386 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccc(OC(C)C)n2)cc1 ZINC000168061809 823899371 /nfs/dbraw/zinc/89/93/71/823899371.db2.gz SMJUPIKGISLSCL-YJBOKZPZSA-N 0 3 379.460 4.343 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)c2ccccc2F)cc1Cl ZINC000170672953 823933341 /nfs/dbraw/zinc/93/33/41/823933341.db2.gz JIJXTOZHSDPENN-DOMZBBRYSA-N 0 3 388.826 4.329 20 30 GIEDHN N#CC(C(=O)CSc1cc(Cl)ccc1Cl)C(=O)NCc1ccccc1 ZINC000126819929 823959092 /nfs/dbraw/zinc/95/90/92/823959092.db2.gz ROAXOUJVKDIZBN-CQSZACIVSA-N 0 3 393.295 4.111 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccc(Cl)cc2)c1 ZINC000127028094 824003620 /nfs/dbraw/zinc/00/36/20/824003620.db2.gz AEJMWXKNEYPWBX-QGZVFWFLSA-N 0 3 388.876 4.178 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccc(-c3ccc(F)cc3)o2)c1 ZINC000127067674 824010706 /nfs/dbraw/zinc/01/07/06/824010706.db2.gz XWJYTRHEHSBXQL-QGZVFWFLSA-N 0 3 378.359 4.055 20 30 GIEDHN CN(C(=O)c1cccc(SCC#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000176058038 823108835 /nfs/dbraw/zinc/10/88/35/823108835.db2.gz QNNMVJVZVWUUAZ-HXUWFJFHSA-N 0 3 379.529 4.039 20 30 GIEDHN C=C(CC)CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000459108147 823128668 /nfs/dbraw/zinc/12/86/68/823128668.db2.gz YEHOMPMJCQZUHK-UHFFFAOYSA-N 0 3 394.357 4.021 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccccc2Oc2ccccc2OCC)CC1 ZINC000176321811 823181506 /nfs/dbraw/zinc/18/15/06/823181506.db2.gz UKHJPLAGIULYOL-UHFFFAOYSA-N 0 3 380.488 4.258 20 30 GIEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(C(C)(C)C)s2)cc1 ZINC000121578783 823209738 /nfs/dbraw/zinc/20/97/38/823209738.db2.gz TWCTVWZPBDUPFA-HNNXBMFYSA-N 0 3 398.484 4.183 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121772770 823247358 /nfs/dbraw/zinc/24/73/58/823247358.db2.gz LCABRVZFXNJCPB-IBGZPJMESA-N 0 3 379.416 4.207 20 30 GIEDHN COc1cccc([C@H](CN=Cc2cc3ccccc3[nH]c2=O)N2CCCC2)c1 ZINC000121785574 823250873 /nfs/dbraw/zinc/25/08/73/823250873.db2.gz YUDIDGPHXLIILZ-NMWDDECMSA-N 0 3 375.472 4.205 20 30 GIEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000571994904 823267177 /nfs/dbraw/zinc/26/71/77/823267177.db2.gz RANPANQAIJPGAZ-OXQOHEQNSA-N 0 3 392.528 4.267 20 30 GIEDHN CN(C)[C@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000572215818 823302758 /nfs/dbraw/zinc/30/27/58/823302758.db2.gz AHFOWSISPFEFHQ-QGZVFWFLSA-N 0 3 378.354 4.200 20 30 GIEDHN CC(C)Oc1ccc([C@H](CNC(=O)c2cc(C#N)ccc2Cl)N(C)C)cc1 ZINC000572197227 823298144 /nfs/dbraw/zinc/29/81/44/823298144.db2.gz XMIOJQHKWYIDAY-FQEVSTJZSA-N 0 3 385.895 4.032 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000122166239 823315535 /nfs/dbraw/zinc/31/55/35/823315535.db2.gz FKBAGYISBAUOFS-OAHLLOKOSA-N 0 3 388.402 4.176 20 30 GIEDHN C[C@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000122694998 823396032 /nfs/dbraw/zinc/39/60/32/823396032.db2.gz WIVGBBIQJNUILN-GJZGRUSLSA-N 0 3 397.441 4.009 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccccc1Br ZINC000122990752 823444529 /nfs/dbraw/zinc/44/45/29/823444529.db2.gz RCEQDFAPGOYLKR-CQSZACIVSA-N 0 3 382.261 4.145 20 30 GIEDHN Cc1cccc(N2CCN(Cc3ccc(NC[C@H](C#N)CCC#N)cc3)CC2)c1 ZINC000573084007 823445661 /nfs/dbraw/zinc/44/56/61/823445661.db2.gz QTQOVEPXUMURMG-QFIPXVFZSA-N 0 3 387.531 4.173 20 30 GIEDHN C[C@@H]1Cc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c2[C@@H](C)C1 ZINC000411009493 823532780 /nfs/dbraw/zinc/53/27/80/823532780.db2.gz JPZFXVBOVLYOQE-GRDNDAEWSA-N 0 3 388.496 4.498 20 30 GIEDHN N#CC(C(=O)c1ccc2c(c1)OCCCO2)c1nc(-c2ccccc2)cs1 ZINC000041534534 821205840 /nfs/dbraw/zinc/20/58/40/821205840.db2.gz DVIZYAODQAKUIK-INIZCTEOSA-N 0 3 376.437 4.461 20 30 GIEDHN N#CC(C(=O)c1cnn(Cc2ccccc2)c1)c1nc2ccccc2n1C(F)F ZINC000041557961 821209824 /nfs/dbraw/zinc/20/98/24/821209824.db2.gz DPQDMQISIUHRQL-INIZCTEOSA-N 0 3 391.381 4.166 20 30 GIEDHN Cc1cc(C(C#N)C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)nc(C)n1 ZINC000041562989 821211925 /nfs/dbraw/zinc/21/19/25/821211925.db2.gz PVZPJHZLOAOMGM-INIZCTEOSA-N 0 3 376.464 4.033 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322485 821300042 /nfs/dbraw/zinc/30/00/42/821300042.db2.gz SUDUAMJAHQJZAD-JTSKRJEESA-N 0 3 394.519 4.010 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322491 821300057 /nfs/dbraw/zinc/30/00/57/821300057.db2.gz SUDUAMJAHQJZAD-VGSWGCGISA-N 0 3 394.519 4.010 20 30 GIEDHN N#Cc1ccccc1-c1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000044596002 821617761 /nfs/dbraw/zinc/61/77/61/821617761.db2.gz MMJOUNODERBYME-UHFFFAOYSA-N 0 3 381.479 4.489 20 30 GIEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(-c2cccnc2)cc1 ZINC000181286755 821735588 /nfs/dbraw/zinc/73/55/88/821735588.db2.gz RMOGNBBEEVGROT-MSOLQXFVSA-N 0 3 376.504 4.130 20 30 GIEDHN C=CCc1cc(CN2CCC(OCc3ccccc3OC)CC2)cc(OC)c1O ZINC000181550056 821877302 /nfs/dbraw/zinc/87/73/02/821877302.db2.gz JHZTXZCDBNAOIQ-UHFFFAOYSA-N 0 3 397.515 4.319 20 30 GIEDHN Cc1nc(-c2ccccc2)ncc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000178084125 822312743 /nfs/dbraw/zinc/31/27/43/822312743.db2.gz IPSROFJSRYDGDM-KRWDZBQOSA-N 0 3 390.830 4.067 20 30 GIEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cccc1-c1ccccn1 ZINC000178821251 822413855 /nfs/dbraw/zinc/41/38/55/822413855.db2.gz FARSPQFPGODACY-UHFFFAOYSA-N 0 3 398.510 4.133 20 30 GIEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1-n1cccn1 ZINC000183131795 822428453 /nfs/dbraw/zinc/42/84/53/822428453.db2.gz WRGXOKXPJZZPCG-KRWDZBQOSA-N 0 3 392.528 4.440 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(C(C)=O)cc3)cc2)CC1 ZINC000179041254 822432714 /nfs/dbraw/zinc/43/27/14/822432714.db2.gz XPRUJLKVWXQUBL-UHFFFAOYSA-N 0 3 378.472 4.062 20 30 GIEDHN C[C@H]1CCCN(CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000046862281 822525217 /nfs/dbraw/zinc/52/52/17/822525217.db2.gz PNAGDSMDUDWPGP-KRWDZBQOSA-N 0 3 379.529 4.171 20 30 GIEDHN COc1ccc([C@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686512 822527186 /nfs/dbraw/zinc/52/71/86/822527186.db2.gz UWSBWNGJVSJUBA-OPAMFIHVSA-N 0 3 395.478 4.210 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000047010986 822537517 /nfs/dbraw/zinc/53/75/17/822537517.db2.gz MYNFMUCIQBRMAM-UHFFFAOYSA-N 0 3 391.446 4.161 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1 ZINC000179796385 822554632 /nfs/dbraw/zinc/55/46/32/822554632.db2.gz NZAYPYGDXDBLMT-LIRRHRJNSA-N 0 3 384.863 4.265 20 30 GIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)n1 ZINC000179961143 822586112 /nfs/dbraw/zinc/58/61/12/822586112.db2.gz ONCZYGZEJVOASU-DVOMOZLQSA-N 0 3 398.488 4.332 20 30 GIEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000180014791 822596827 /nfs/dbraw/zinc/59/68/27/822596827.db2.gz IIUBWDRFBMOSEX-GOSISDBHSA-N 0 3 392.503 4.106 20 30 GIEDHN Cn1cc(CNCc2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1 ZINC000180043416 822603267 /nfs/dbraw/zinc/60/32/67/822603267.db2.gz FUMXXRVGPMLUIW-UHFFFAOYSA-N 0 3 387.306 4.073 20 30 GIEDHN Cn1c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2nc1C1CC1 ZINC000180062144 822606890 /nfs/dbraw/zinc/60/68/90/822606890.db2.gz CMNLVERFQYZOAU-UHFFFAOYSA-N 0 3 385.515 4.399 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000184310795 822612405 /nfs/dbraw/zinc/61/24/05/822612405.db2.gz JKJBVMZECAAWCX-IBGZPJMESA-N 0 3 394.519 4.006 20 30 GIEDHN N#CCOc1ccc(CN[C@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000180550713 822700640 /nfs/dbraw/zinc/70/06/40/822700640.db2.gz UKXRQXIONVBBJF-SFHVURJKSA-N 0 3 387.277 4.355 20 30 GIEDHN C=CCN(Cc1ccccc1F)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184884579 822707051 /nfs/dbraw/zinc/70/70/51/822707051.db2.gz IUFNHKAITCGKPI-UHFFFAOYSA-N 0 3 396.510 4.188 20 30 GIEDHN C[C@@H]1CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000455808312 822730188 /nfs/dbraw/zinc/73/01/88/822730188.db2.gz AGZQARKOLIDGDO-HXUWFJFHSA-N 0 3 389.543 4.250 20 30 GIEDHN N#Cc1ccc2ncc(CNCc3ccc(OCc4ccccc4F)cc3)n2c1 ZINC000185427152 822782449 /nfs/dbraw/zinc/78/24/49/822782449.db2.gz SROUSNYQJWRQJL-UHFFFAOYSA-N 0 3 386.430 4.214 20 30 GIEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000185477548 822788643 /nfs/dbraw/zinc/78/86/43/822788643.db2.gz UNKIIWYIMBKRQL-GHTZIAJQSA-N 0 3 394.519 4.256 20 30 GIEDHN C=C(C)C[C@H](C)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119163 822855093 /nfs/dbraw/zinc/85/50/93/822855093.db2.gz QXAHOZJZNYTQBZ-SFHVURJKSA-N 0 3 389.971 4.055 20 30 GIEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000186329594 822876941 /nfs/dbraw/zinc/87/69/41/822876941.db2.gz YAMYYJYLXNGSQU-LNLFQRSKSA-N 0 3 389.565 4.203 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccccc3OC(F)(F)F)o2)CC1 ZINC000186688500 822937691 /nfs/dbraw/zinc/93/76/91/822937691.db2.gz VZNYBQCJVBZUBV-UHFFFAOYSA-N 0 3 394.393 4.225 20 30 GIEDHN C=CCC[C@H](C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)c1ccccc1 ZINC000187113113 823012456 /nfs/dbraw/zinc/01/24/56/823012456.db2.gz XTSNARLVILDONJ-XXBNENTESA-N 0 3 377.532 4.473 20 30 GIEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)sc2cccc(F)c12 ZINC000060575990 823543943 /nfs/dbraw/zinc/54/39/43/823543943.db2.gz HIOCXVWKMZGJJV-UHFFFAOYSA-N 0 3 395.503 4.425 20 30 GIEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000123851717 823545665 /nfs/dbraw/zinc/54/56/65/823545665.db2.gz FETPOIPGRGNZGJ-GFCCVEGCSA-N 0 3 392.629 4.480 20 30 GIEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Cl ZINC000123857237 823546432 /nfs/dbraw/zinc/54/64/32/823546432.db2.gz KWIIYBRJFFNALE-AWEZNQCLSA-N 0 3 392.629 4.480 20 30 GIEDHN CO[C@H](C)c1nc(CN2CCCN(CCC3(C#N)CCCCC3)CC2)cs1 ZINC000411331179 823564864 /nfs/dbraw/zinc/56/48/64/823564864.db2.gz LKVCQBFTVBLLKM-GOSISDBHSA-N 0 3 390.597 4.222 20 30 GIEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411547512 823587363 /nfs/dbraw/zinc/58/73/63/823587363.db2.gz VNSBRARCKVLVTR-CYBMUJFWSA-N 0 3 399.564 4.048 20 30 GIEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccccc2s1 ZINC000190623188 823592721 /nfs/dbraw/zinc/59/27/21/823592721.db2.gz IHNAACNWVRRQQH-DNVCBOLYSA-N 0 3 375.497 4.225 20 30 GIEDHN Cc1ccccc1[C@H](CC(F)(F)F)NCCC(=O)Nc1ccccc1C#N ZINC000411651676 823594415 /nfs/dbraw/zinc/59/44/15/823594415.db2.gz XXBNJYOSILKDIQ-SFHVURJKSA-N 0 3 375.394 4.479 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000124650419 823614269 /nfs/dbraw/zinc/61/42/69/823614269.db2.gz RINDTWBTFIAJBS-MRXNPFEDSA-N 0 3 378.586 4.318 20 30 GIEDHN COc1ccc([C@H](Cc2ccccc2C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000190902854 823622149 /nfs/dbraw/zinc/62/21/49/823622149.db2.gz MOYAHEHVHXQWPH-QFIPXVFZSA-N 0 3 389.499 4.296 20 30 GIEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1-c1ccccn1 ZINC000190930086 823626155 /nfs/dbraw/zinc/62/61/55/823626155.db2.gz FAGSJQYNEIVKNT-QGZVFWFLSA-N 0 3 380.407 4.190 20 30 GIEDHN N#CC(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1cnc2ccccc2n1 ZINC000190969657 823632246 /nfs/dbraw/zinc/63/22/46/823632246.db2.gz VHQZLMKUVKCWMR-MRXNPFEDSA-N 0 3 398.447 4.434 20 30 GIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000063403310 823668505 /nfs/dbraw/zinc/66/85/05/823668505.db2.gz XPUDUVMKVWIWNA-CVDCTZTESA-N 0 3 388.515 4.091 20 30 GIEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000125572694 823686424 /nfs/dbraw/zinc/68/64/24/823686424.db2.gz TYBJLDJYCOZGFV-HNNXBMFYSA-N 0 3 391.254 4.248 20 30 GIEDHN CCCOc1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cc1OC ZINC000064613922 823853167 /nfs/dbraw/zinc/85/31/67/823853167.db2.gz KKJTVDMUOCMESK-UHFFFAOYSA-N 0 3 398.503 4.465 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@H](F)c3ccccc3F)CC2)CC1 ZINC000575081074 823906846 /nfs/dbraw/zinc/90/68/46/823906846.db2.gz JFZMCEOKWXNDPA-NRFANRHFSA-N 0 3 391.506 4.298 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCCc2ccc(C)cc2)cc1OC ZINC000126949148 823987513 /nfs/dbraw/zinc/98/75/13/823987513.db2.gz MFVHIEABKQYGKF-LJQANCHMSA-N 0 3 394.471 4.073 20 30 GIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000575955991 824036731 /nfs/dbraw/zinc/03/67/31/824036731.db2.gz FQEOVNXKGXRYTC-UHFFFAOYSA-N 0 3 380.879 4.250 20 30 GIEDHN N#Cc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726927 720472840 /nfs/dbraw/zinc/47/28/40/720472840.db2.gz MZSHKVDKWJONAI-NHCUHLMSSA-N 0 3 389.890 4.008 20 30 GIEDHN CCOc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175965336 823083424 /nfs/dbraw/zinc/08/34/24/823083424.db2.gz OMFUOSUJGZPDLF-UHFFFAOYSA-N 0 3 392.503 4.085 20 30 GIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(C2CC2)c1 ZINC000458873019 823099976 /nfs/dbraw/zinc/09/99/76/823099976.db2.gz IQMIFTCNKBHTHM-SFHVURJKSA-N 0 3 390.531 4.270 20 30 GIEDHN C=CCCCN(C)CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000121079274 823114638 /nfs/dbraw/zinc/11/46/38/823114638.db2.gz OAEAJEASYVBVLA-IBGZPJMESA-N 0 3 393.531 4.356 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccn1 ZINC000121246331 823146611 /nfs/dbraw/zinc/14/66/11/823146611.db2.gz QBVFDJWBBIFOLT-AWEZNQCLSA-N 0 3 396.244 4.308 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000188000538 823169789 /nfs/dbraw/zinc/16/97/89/823169789.db2.gz JROYGUDLCUTSCO-OAHLLOKOSA-N 0 3 383.458 4.149 20 30 GIEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@H]1CCC[C@H]1C#N ZINC000459456298 823195858 /nfs/dbraw/zinc/19/58/58/823195858.db2.gz FOTVKRDBTXODHX-HOCLYGCPSA-N 0 3 378.314 4.067 20 30 GIEDHN CCN(C(=O)Nc1snc(C)c1C#N)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000459598627 823227469 /nfs/dbraw/zinc/22/74/69/823227469.db2.gz YYARRHBMFGKTDH-DOTOQJQBSA-N 0 3 383.521 4.013 20 30 GIEDHN N#CC(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000122222821 823323895 /nfs/dbraw/zinc/32/38/95/823323895.db2.gz DUOQXQNQEPXCMD-MGPQQGTHSA-N 0 3 385.345 4.441 20 30 GIEDHN CC(C)(C)N1CC[C@@H](NCc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572538971 823357098 /nfs/dbraw/zinc/35/70/98/823357098.db2.gz PICUYBFSEALOMW-UXHICEINSA-N 0 3 386.902 4.449 20 30 GIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(Br)cc3)CC2)cc1 ZINC000022850408 818867493 /nfs/dbraw/zinc/86/74/93/818867493.db2.gz QBWHWTAWKFTQGH-UHFFFAOYSA-N 0 3 384.321 4.029 20 30 GIEDHN Cc1cccc(C2=CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000572799183 823400913 /nfs/dbraw/zinc/40/09/13/823400913.db2.gz OETRIELDHARDLF-UHFFFAOYSA-N 0 3 383.499 4.457 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cccnc2-c2ccc(Cl)s2)CC1 ZINC000189512721 823434435 /nfs/dbraw/zinc/43/44/35/823434435.db2.gz QPKJUEVMFWOZIV-UHFFFAOYSA-N 0 3 376.913 4.235 20 30 GIEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000027208135 820209744 /nfs/dbraw/zinc/20/97/44/820209744.db2.gz TWAZZLRAPFGDTE-NRFANRHFSA-N 0 3 388.467 4.222 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000058859770 823463452 /nfs/dbraw/zinc/46/34/52/823463452.db2.gz FJKHPSACRQHJNN-KRWDZBQOSA-N 0 3 376.913 4.478 20 30 GIEDHN CC1CCN([C@H](CNC(=O)CCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000027574853 820262234 /nfs/dbraw/zinc/26/22/34/820262234.db2.gz JRUUUWZBBDIUPD-HXUWFJFHSA-N 0 3 381.545 4.142 20 30 GIEDHN CC(C)c1cccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000410374345 823479591 /nfs/dbraw/zinc/47/95/91/823479591.db2.gz UDEBQQOPXVYIII-IBGZPJMESA-N 0 3 393.531 4.039 20 30 GIEDHN C[C@@H](O/N=C/c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)o1 ZINC000177668368 823511136 /nfs/dbraw/zinc/51/11/36/823511136.db2.gz QRRMESPCOVAPLE-HIQXPHMNSA-N 0 3 377.444 4.290 20 30 GIEDHN Cc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000060238692 823512715 /nfs/dbraw/zinc/51/27/15/823512715.db2.gz GUAPJCYFHJTSEM-JOCHJYFZSA-N 0 3 393.556 4.053 20 30 GIEDHN CN(C)[C@@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cc1ccccc1 ZINC000032245751 820904949 /nfs/dbraw/zinc/90/49/49/820904949.db2.gz NUTLHGCRWTYSOX-OAQYLSRUSA-N 0 3 383.495 4.128 20 30 GIEDHN CC(C)Cn1nc(C(=O)C(C#N)c2nc(C(C)C)cs2)c2ccccc2c1=O ZINC000177772137 823523915 /nfs/dbraw/zinc/52/39/15/823523915.db2.gz PLWCCETXJSJRJE-MRXNPFEDSA-N 0 3 394.500 4.122 20 30 GIEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000177798434 823527447 /nfs/dbraw/zinc/52/74/47/823527447.db2.gz ASKIPWFXLNHUMD-UXHICEINSA-N 0 3 375.472 4.049 20 30 GIEDHN C[C@@H]1C[C@H](C)Cc2c(C#N)c(NC(=O)C(C#N)Cc3ccc(C#N)cc3)sc21 ZINC000410992992 823530346 /nfs/dbraw/zinc/53/03/46/823530346.db2.gz XYMZXFWIWNEAPS-JJRVBVJISA-N 0 3 388.496 4.498 20 30 GIEDHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041496722 821199370 /nfs/dbraw/zinc/19/93/70/821199370.db2.gz ATWKDPFWCXLZTG-HNNXBMFYSA-N 0 3 384.443 4.256 20 30 GIEDHN CC(=O)c1cc(C#N)ccc1NC(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000411059957 823539553 /nfs/dbraw/zinc/53/95/53/823539553.db2.gz FXZDYHDRESEHFO-UHFFFAOYSA-N 0 3 375.472 4.002 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322488 821300015 /nfs/dbraw/zinc/30/00/15/821300015.db2.gz SUDUAMJAHQJZAD-HTAPYJJXSA-N 0 3 394.519 4.010 20 30 GIEDHN C[C@H](N[C@@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181286733 821735752 /nfs/dbraw/zinc/73/57/52/821735752.db2.gz RMOGNBBEEVGROT-ROUUACIJSA-N 0 3 376.504 4.130 20 30 GIEDHN N#Cc1ccc(CN2CCC(N[C@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000181628792 821912006 /nfs/dbraw/zinc/91/20/06/821912006.db2.gz CEVAVNPFAOLPIO-QFIPXVFZSA-N 0 3 388.540 4.358 20 30 GIEDHN CC[C@H]1Oc2cc([C@@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845536 822015361 /nfs/dbraw/zinc/01/53/61/822015361.db2.gz JUSMSUDRXMHUIP-BXTJHSDWSA-N 0 3 379.460 4.110 20 30 GIEDHN CC[C@@H]1Oc2cc([C@H](C)N[C@@H](C)c3ccc(OCC#N)cc3)ccc2NC1=O ZINC000181845588 822015461 /nfs/dbraw/zinc/01/54/61/822015461.db2.gz JUSMSUDRXMHUIP-AVYPCKFXSA-N 0 3 379.460 4.110 20 30 GIEDHN CC(C)C[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872876 822022430 /nfs/dbraw/zinc/02/24/30/822022430.db2.gz MVSNGMBGDRKVRQ-PKOBYXMFSA-N 0 3 381.442 4.191 20 30 GIEDHN CC(C)(C)[C@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181967014 822048258 /nfs/dbraw/zinc/04/82/58/822048258.db2.gz PFRZHNKPKXHXBD-IEBWSBKVSA-N 0 3 381.442 4.191 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc3noc(-c4ccc(F)cc4)c3c2)CC1 ZINC000178869736 822417911 /nfs/dbraw/zinc/41/79/11/822417911.db2.gz WAVHQYZCAFFGQT-UHFFFAOYSA-N 0 3 379.435 4.014 20 30 GIEDHN C=CCN1CCC(NC(=O)N2CCC(Sc3ccc(Cl)cc3)CC2)CC1 ZINC000178904062 822420446 /nfs/dbraw/zinc/42/04/46/822420446.db2.gz LNYMUVNVDCETJS-UHFFFAOYSA-N 0 3 393.984 4.257 20 30 GIEDHN C=CCc1ccc(OC[C@@H](O)CN2CCc3sccc3[C@H]2CC)c(OC)c1 ZINC000046866045 822525484 /nfs/dbraw/zinc/52/54/84/822525484.db2.gz LJYDRQHDPRNBPF-PKOBYXMFSA-N 0 3 387.545 4.234 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccccc2F)o1 ZINC000047011099 822537594 /nfs/dbraw/zinc/53/75/94/822537594.db2.gz NDJHXODWYKGDNS-UHFFFAOYSA-N 0 3 391.446 4.161 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000179980341 822589737 /nfs/dbraw/zinc/58/97/37/822589737.db2.gz QIILQSQBCNCYTE-HXUWFJFHSA-N 0 3 379.460 4.173 20 30 GIEDHN Cc1csc(C2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)n1 ZINC000180028439 822600383 /nfs/dbraw/zinc/60/03/83/822600383.db2.gz BXFVMBJLSDLPKA-UHFFFAOYSA-N 0 3 377.517 4.103 20 30 GIEDHN N#CC(C(=O)CCCOc1ccccc1Br)c1nc2ccccc2[nH]1 ZINC000048813473 822684189 /nfs/dbraw/zinc/68/41/89/822684189.db2.gz TZJRLAYVETVZMY-ZDUSSCGKSA-N 0 3 398.260 4.361 20 30 GIEDHN C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CN1Cc1ccccc1 ZINC000455696285 822704808 /nfs/dbraw/zinc/70/48/08/822704808.db2.gz BZFGPNCUDXYVSB-MAUKXSAKSA-N 0 3 382.895 4.191 20 30 GIEDHN CSc1ccc([C@H](CNC(=O)C(C)(C)Cc2ccc(C#N)cc2)N(C)C)cc1 ZINC000456032593 822769029 /nfs/dbraw/zinc/76/90/29/822769029.db2.gz OBUZWARFTLKGIU-NRFANRHFSA-N 0 3 395.572 4.268 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000456352027 822801200 /nfs/dbraw/zinc/80/12/00/822801200.db2.gz XVDFZRTXZYPYRT-LJQANCHMSA-N 0 3 375.516 4.082 20 30 GIEDHN CO[C@H](C)c1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000175109724 822883954 /nfs/dbraw/zinc/88/39/54/822883954.db2.gz PAUULDNATJWYLH-CJNGLKHVSA-N 0 3 393.468 4.273 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000175110233 822884209 /nfs/dbraw/zinc/88/42/09/822884209.db2.gz OKOZZXFTNBYQJK-RYUDHWBXSA-N 0 3 376.865 4.251 20 30 GIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054720343 822907771 /nfs/dbraw/zinc/90/77/71/822907771.db2.gz SPUDBMHHEGLFSD-CVDCTZTESA-N 0 3 390.531 4.315 20 30 GIEDHN CC(C)Cn1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)c2ccccc21 ZINC000054727344 822908110 /nfs/dbraw/zinc/90/81/10/822908110.db2.gz RCOOMMLQOQQSPQ-KRWDZBQOSA-N 0 3 375.476 4.105 20 30 GIEDHN CO[C@@H](C)c1nc(CN2CCCN(CCC3(C#N)CCCCC3)CC2)cs1 ZINC000411331183 823564801 /nfs/dbraw/zinc/56/48/01/823564801.db2.gz LKVCQBFTVBLLKM-SFHVURJKSA-N 0 3 390.597 4.222 20 30 GIEDHN C[C@H](c1ccncc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411427743 823573014 /nfs/dbraw/zinc/57/30/14/823573014.db2.gz UKGAQJKUVJNFGM-HUUCEWRRSA-N 0 3 382.533 4.161 20 30 GIEDHN CC[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(OC)cc1 ZINC000124228524 823579287 /nfs/dbraw/zinc/57/92/87/823579287.db2.gz YADFYYPTRKHTLL-FQEVSTJZSA-N 0 3 385.895 4.336 20 30 GIEDHN CN(CCCCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190508608 823582197 /nfs/dbraw/zinc/58/21/97/823582197.db2.gz LWRWSXDGOCSQLI-MRXNPFEDSA-N 0 3 381.314 4.133 20 30 GIEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(-c2ccncc2)c1 ZINC000190630502 823593624 /nfs/dbraw/zinc/59/36/24/823593624.db2.gz RCRDISLZIPJBHI-HOYKHHGWSA-N 0 3 396.494 4.072 20 30 GIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000062407213 823633393 /nfs/dbraw/zinc/63/33/93/823633393.db2.gz CDGYNNOQKDQKJU-UHFFFAOYSA-N 0 3 398.482 4.080 20 30 GIEDHN CC1CCN([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)c2ccccc2)CC1 ZINC000125264759 823663392 /nfs/dbraw/zinc/66/33/92/823663392.db2.gz ZLHLPZHHRGLNNB-FQEVSTJZSA-N 0 3 383.442 4.039 20 30 GIEDHN C=CCOc1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000063578892 823680714 /nfs/dbraw/zinc/68/07/14/823680714.db2.gz RYCKJZNFLXZTSD-UHFFFAOYSA-N 0 3 376.250 4.032 20 30 GIEDHN CCCNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000461698902 823683284 /nfs/dbraw/zinc/68/32/84/823683284.db2.gz UGRZAXJKXZGNOM-LJQANCHMSA-N 0 3 394.494 4.370 20 30 GIEDHN Cn1cc(CN[C@@H](CC2CC2)c2cc(F)cc(Br)c2)cc1C#N ZINC000191618806 823714906 /nfs/dbraw/zinc/71/49/06/823714906.db2.gz UNPFEEPRVYLCRO-SFHVURJKSA-N 0 3 376.273 4.429 20 30 GIEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792934 823895800 /nfs/dbraw/zinc/89/58/00/823895800.db2.gz XNAIBURQUQDVEG-QZTJIDSGSA-N 0 3 396.506 4.211 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N2CCC([C@@H](F)c3ccccc3F)CC2)CC1 ZINC000575081075 823906886 /nfs/dbraw/zinc/90/68/86/823906886.db2.gz JFZMCEOKWXNDPA-OAQYLSRUSA-N 0 3 391.506 4.298 20 30 GIEDHN N#Cc1ccc(CN2CC[C@@H](NCc3cc(-c4ccccc4)cs3)C2=O)cc1 ZINC000192241522 823913294 /nfs/dbraw/zinc/91/32/94/823913294.db2.gz MEDYPBPNZBOBDR-JOCHJYFZSA-N 0 3 387.508 4.177 20 30 GIEDHN COc1cccc(CNCCSCc2ccccc2C#N)c1OC(F)F ZINC000170670809 823932576 /nfs/dbraw/zinc/93/25/76/823932576.db2.gz GXELDNFWLFRWPW-UHFFFAOYSA-N 0 3 378.444 4.191 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(C)C)CC1 ZINC000192339348 823951953 /nfs/dbraw/zinc/95/19/53/823951953.db2.gz OJXUNFDHQBPDKY-UHFFFAOYSA-N 0 3 381.524 4.158 20 30 GIEDHN N#CC(C(=O)CCCOc1cccc2ccccc21)C(=O)NCc1ccccc1 ZINC000126933009 823984447 /nfs/dbraw/zinc/98/44/47/823984447.db2.gz YQJFVFIKUAESTI-NRFANRHFSA-N 0 3 386.451 4.024 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2sc(-c3cccs3)nc2C)c1 ZINC000127078548 824012812 /nfs/dbraw/zinc/01/28/12/824012812.db2.gz YSDAYIBMRQQPIH-AWEZNQCLSA-N 0 3 397.481 4.150 20 30 GIEDHN C=CCN1C(=O)CC[C@@]12CCCN(C(C)(C)c1ccnc(Cl)c1)[C@@H]2CC ZINC001164702706 719824680 /nfs/dbraw/zinc/82/46/80/719824680.db2.gz SZVDAEKDDWSHSK-DYESRHJHSA-N 0 3 375.944 4.392 20 30 GIEDHN C=CCN1C(=O)CC[C@]12CCCN(C(C)(C)c1ccnc(Cl)c1)[C@H]2CC ZINC001164702712 719824735 /nfs/dbraw/zinc/82/47/35/719824735.db2.gz SZVDAEKDDWSHSK-UWJYYQICSA-N 0 3 375.944 4.392 20 30 GIEDHN C[C@@H]1C[C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000458574300 823058194 /nfs/dbraw/zinc/05/81/94/823058194.db2.gz XFWMCSUKYUFFEK-UEVCKROQSA-N 0 3 390.531 4.384 20 30 GIEDHN CN(C)CCN(Cc1ccccc1F)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458798406 823087165 /nfs/dbraw/zinc/08/71/65/823087165.db2.gz ICXKZAHNKWRGCY-JOCHJYFZSA-N 0 3 396.510 4.334 20 30 GIEDHN CN1CCC(N(Cc2ccco2)C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000458807679 823089702 /nfs/dbraw/zinc/08/97/02/823089702.db2.gz XYFDNWUCQXGFBL-QFIPXVFZSA-N 0 3 394.519 4.321 20 30 GIEDHN COc1ccc([C@H](CN(C)C)NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1 ZINC000458843489 823096532 /nfs/dbraw/zinc/09/65/32/823096532.db2.gz PPAANHOJZAJJDG-VXKWHMMOSA-N 0 3 394.519 4.032 20 30 GIEDHN CCOc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc(Cl)c1O ZINC000459295768 823157646 /nfs/dbraw/zinc/15/76/46/823157646.db2.gz DIRLVXGCRXPOQD-UHFFFAOYSA-N 0 3 399.922 4.024 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)s2)CC1 ZINC000176244671 823161882 /nfs/dbraw/zinc/16/18/82/823161882.db2.gz JXKVZIHXZCJVOO-UHFFFAOYSA-N 0 3 398.532 4.162 20 30 GIEDHN C=CCOc1ccc(CN[C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302375 823162383 /nfs/dbraw/zinc/16/23/83/823162383.db2.gz LKQXXQQKAVYEEA-VGOFRKELSA-N 0 3 382.479 4.232 20 30 GIEDHN CC(C)CCOC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000121605348 823214525 /nfs/dbraw/zinc/21/45/25/823214525.db2.gz XDHRXAMCRZTZSE-UHFFFAOYSA-N 0 3 380.536 4.491 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783861 823250501 /nfs/dbraw/zinc/25/05/01/823250501.db2.gz ZDYWRPXOHQGCHA-IFXJQAMLSA-N 0 3 379.416 4.378 20 30 GIEDHN CCOc1ccc(N(CCC#N)C(=O)CN[C@H](c2ccc(F)cc2)C(C)C)cc1 ZINC000057641706 823317199 /nfs/dbraw/zinc/31/71/99/823317199.db2.gz DFYSRRIJKOZDNG-QHCPKHFHSA-N 0 3 397.494 4.458 20 30 GIEDHN C=C(C)COc1cc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)ccc1OC ZINC000057964479 823350899 /nfs/dbraw/zinc/35/08/99/823350899.db2.gz RUHSEJLVHVEOKJ-MRXNPFEDSA-N 0 3 380.488 4.386 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccc(-n3ccnc3)c(F)c2)ccc1OC ZINC000057967229 823351401 /nfs/dbraw/zinc/35/14/01/823351401.db2.gz NKGHRBQMTATCOM-UHFFFAOYSA-N 0 3 381.451 4.265 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1CCC2(CCCC2)O1 ZINC000572701133 823385607 /nfs/dbraw/zinc/38/56/07/823385607.db2.gz MNEWNAINAJKCHS-SFHVURJKSA-N 0 3 390.597 4.076 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H]1CCC2(CCCC2)O1 ZINC000572701132 823385655 /nfs/dbraw/zinc/38/56/55/823385655.db2.gz MNEWNAINAJKCHS-GOSISDBHSA-N 0 3 390.597 4.076 20 30 GIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000025438752 819979973 /nfs/dbraw/zinc/97/99/73/819979973.db2.gz ZMKQRYSHEFDSBG-UHFFFAOYSA-N 0 3 391.412 4.424 20 30 GIEDHN N#CC1(CCCN2CCN(Cc3cccc4ccccc43)CC2)CCOCC1 ZINC000410315631 823460698 /nfs/dbraw/zinc/46/06/98/823460698.db2.gz JENBMVWCBHUNMV-UHFFFAOYSA-N 0 3 377.532 4.058 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccsc1 ZINC000058859778 823463426 /nfs/dbraw/zinc/46/34/26/823463426.db2.gz FJKHPSACRQHJNN-QGZVFWFLSA-N 0 3 376.913 4.478 20 30 GIEDHN Cc1cc2cccnc2c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000123125213 823466675 /nfs/dbraw/zinc/46/66/75/823466675.db2.gz QSAMNKBITLETQY-UHFFFAOYSA-N 0 3 387.487 4.011 20 30 GIEDHN C[C@H](CN1CCCCC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000027762405 820283745 /nfs/dbraw/zinc/28/37/45/820283745.db2.gz QSCYIOAVCKAYLL-QGZVFWFLSA-N 0 3 379.529 4.314 20 30 GIEDHN N#Cc1ccc2ncc(CNCc3ccc(CN4CCc5ccccc54)cc3)n2c1 ZINC000123243000 823484324 /nfs/dbraw/zinc/48/43/24/823484324.db2.gz FUSZMXBAYPURMV-UHFFFAOYSA-N 0 3 393.494 4.058 20 30 GIEDHN N#Cc1ccc(CN2CCCN(Cc3cc(-c4ccc(F)cc4)no3)CC2)cc1 ZINC000029712117 820503832 /nfs/dbraw/zinc/50/38/32/820503832.db2.gz IMOFHPYRSUWDCU-UHFFFAOYSA-N 0 3 390.462 4.060 20 30 GIEDHN Cc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)c2)o1 ZINC000177849264 823535978 /nfs/dbraw/zinc/53/59/78/823535978.db2.gz UDSBTVZOUPYRPP-AWEZNQCLSA-N 0 3 393.353 4.280 20 30 GIEDHN N#CC(C(=O)c1csc(Br)c1)c1ccc(C(F)(F)F)cn1 ZINC000041552662 821208454 /nfs/dbraw/zinc/20/84/54/821208454.db2.gz QCPZNPGGPUVGHO-VIFPVBQESA-N 0 3 375.169 4.414 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](c1ccccc1)C(C)C ZINC000042510147 821309400 /nfs/dbraw/zinc/30/94/00/821309400.db2.gz UDZBQDGUOOVOFG-PGRDOPGGSA-N 0 3 379.504 4.317 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813019 821473654 /nfs/dbraw/zinc/47/36/54/821473654.db2.gz SHXGEAKUAXLARY-UWJYYQICSA-N 0 3 390.487 4.413 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813069 821473801 /nfs/dbraw/zinc/47/38/01/821473801.db2.gz SHXGEAKUAXLARY-DYESRHJHSA-N 0 3 390.487 4.413 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814456 821475196 /nfs/dbraw/zinc/47/51/96/821475196.db2.gz KMGUWGFLYDVCPM-OALUTQOASA-N 0 3 396.487 4.388 20 30 GIEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C(C)C ZINC000181253414 821719715 /nfs/dbraw/zinc/71/97/15/821719715.db2.gz HKCCDXHYDHNVRL-GFCCVEGCSA-N 0 3 379.247 4.040 20 30 GIEDHN CC[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)cc1 ZINC000181805929 822000302 /nfs/dbraw/zinc/00/03/02/822000302.db2.gz ZTQUNYBFUCOKRP-SCLBCKFNSA-N 0 3 383.517 4.185 20 30 GIEDHN C=CCN1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)CC1 ZINC000178115081 822324753 /nfs/dbraw/zinc/32/47/53/822324753.db2.gz YCJBOOZWCJUMKY-UHFFFAOYSA-N 0 3 394.544 4.084 20 30 GIEDHN COCCOc1c(Cl)cccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182772059 822365104 /nfs/dbraw/zinc/36/51/04/822365104.db2.gz HFMMMXMXRJDIOK-UHFFFAOYSA-N 0 3 399.922 4.313 20 30 GIEDHN CC(C)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045150042 822366041 /nfs/dbraw/zinc/36/60/41/822366041.db2.gz JQBHXHVWXOYDLJ-QFIPXVFZSA-N 0 3 378.520 4.029 20 30 GIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2ccncc2)cc1 ZINC000183110183 822425789 /nfs/dbraw/zinc/42/57/89/822425789.db2.gz QLYAUQPJLIEXCQ-KOSHJBKYSA-N 0 3 396.494 4.466 20 30 GIEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000454386988 822466937 /nfs/dbraw/zinc/46/69/37/822466937.db2.gz QMCGMNGXSDWRCA-LJQANCHMSA-N 0 3 381.545 4.142 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179372453 822472880 /nfs/dbraw/zinc/47/28/80/822472880.db2.gz OFRWBAWOKFNKKB-CVEARBPZSA-N 0 3 385.533 4.360 20 30 GIEDHN CCN(Cc1ccccc1OCC(=O)NCC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000179463866 822486585 /nfs/dbraw/zinc/48/65/85/822486585.db2.gz RTGRYQPHQHMPBY-GOSISDBHSA-N 0 3 391.515 4.046 20 30 GIEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183563775 822495336 /nfs/dbraw/zinc/49/53/36/822495336.db2.gz FCRCWHUTRVFSJP-KRWDZBQOSA-N 0 3 392.528 4.440 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000454725000 822523949 /nfs/dbraw/zinc/52/39/49/822523949.db2.gz UUMHOIMWKRJCER-NZQKXSOJSA-N 0 3 390.531 4.195 20 30 GIEDHN CC1CCN(CCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000046956055 822533928 /nfs/dbraw/zinc/53/39/28/822533928.db2.gz VTQKSRNVGRKBKD-UHFFFAOYSA-N 0 3 379.529 4.171 20 30 GIEDHN CSc1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047054234 822540970 /nfs/dbraw/zinc/54/09/70/822540970.db2.gz SZEBEVTVNOAZAT-QGZVFWFLSA-N 0 3 396.560 4.115 20 30 GIEDHN Cn1cc(CN2CCC(OCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893740 822572698 /nfs/dbraw/zinc/57/26/98/822572698.db2.gz QOCRYSMXISBDKD-UHFFFAOYSA-N 0 3 386.499 4.140 20 30 GIEDHN CC[C@@H]1Oc2cc([C@@H](C)NCc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028688 822600375 /nfs/dbraw/zinc/60/03/75/822600375.db2.gz XUNSOPCAXWMIJG-QRWLVFNGSA-N 0 3 377.488 4.448 20 30 GIEDHN C=CCC[C@@H](NCC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 ZINC000180034577 822601827 /nfs/dbraw/zinc/60/18/27/822601827.db2.gz RUODHLWZVCDFHA-OAQYLSRUSA-N 0 3 377.488 4.049 20 30 GIEDHN Cc1ccc([C@@H](CNC(=O)Nc2ccccc2O[C@H](C)C#N)N2CCCC2)cc1 ZINC000180038751 822602402 /nfs/dbraw/zinc/60/24/02/822602402.db2.gz DOCQRTQVGKPGPH-WIYYLYMNSA-N 0 3 392.503 4.245 20 30 GIEDHN N#CC1(c2ccc(C(=O)Nc3ccc(CCN4CCSCC4)cc3)cc2)CC1 ZINC000180064074 822607146 /nfs/dbraw/zinc/60/71/46/822607146.db2.gz MPECIUUABRPNTL-UHFFFAOYSA-N 0 3 391.540 4.085 20 30 GIEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N(CCCc1ccccc1)CCN(C)C ZINC000184310817 822612395 /nfs/dbraw/zinc/61/23/95/822612395.db2.gz JKJBVMZECAAWCX-LJQANCHMSA-N 0 3 394.519 4.006 20 30 GIEDHN Cn1cc(CNCc2ccccc2N2CCCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180371172 822671376 /nfs/dbraw/zinc/67/13/76/822671376.db2.gz AYZLUDKMEIPETI-UHFFFAOYSA-N 0 3 385.515 4.239 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2ccc3ccccc3n2)cnn1-c1ccc(F)cc1F ZINC000048856052 822686481 /nfs/dbraw/zinc/68/64/81/822686481.db2.gz QQDDHUZWAFXIOJ-MRXNPFEDSA-N 0 3 388.377 4.497 20 30 GIEDHN C[C@H]1C[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CN1Cc1ccccc1 ZINC000455696287 822704912 /nfs/dbraw/zinc/70/49/12/822704912.db2.gz BZFGPNCUDXYVSB-YJBOKZPZSA-N 0 3 382.895 4.191 20 30 GIEDHN CC(C)Cc1ccc(C(=O)CCC(=O)C(C#N)C(=O)NC2CCCCC2)cc1 ZINC000050684389 822736044 /nfs/dbraw/zinc/73/60/44/822736044.db2.gz BJGMCYCYVBRYPK-HXUWFJFHSA-N 0 3 382.504 4.006 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 ZINC000050682474 822736072 /nfs/dbraw/zinc/73/60/72/822736072.db2.gz IYZGUYLTQLLCKC-QGZVFWFLSA-N 0 3 399.878 4.085 20 30 GIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358866 822777594 /nfs/dbraw/zinc/77/75/94/822777594.db2.gz BJUJMSMQBDDCGA-AUUYWEPGSA-N 0 3 385.414 4.006 20 30 GIEDHN CCCN(CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1O ZINC000174372595 822779877 /nfs/dbraw/zinc/77/98/77/822779877.db2.gz XYXKMPXWCZKCAG-UHFFFAOYSA-N 0 3 379.504 4.168 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000456329599 822798925 /nfs/dbraw/zinc/79/89/25/822798925.db2.gz IQEQGQHBUMKOIP-REWPJTCUSA-N 0 3 375.516 4.054 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccccc1Cl ZINC000052485620 822801160 /nfs/dbraw/zinc/80/11/60/822801160.db2.gz DKCBWNCNQISOGI-UHFFFAOYSA-N 0 3 376.957 4.438 20 30 GIEDHN C=C(C)Cn1c(SCCN(C)Cc2ccc(F)cc2)nnc1-c1ccncc1 ZINC000185695470 822810935 /nfs/dbraw/zinc/81/09/35/822810935.db2.gz YNLNTPWXCXLZBL-UHFFFAOYSA-N 0 3 397.523 4.279 20 30 GIEDHN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cccc(CN(C)C)c1 ZINC000174612626 822812554 /nfs/dbraw/zinc/81/25/54/822812554.db2.gz NBJAFDQCCLLOKB-UHFFFAOYSA-N 0 3 386.455 4.368 20 30 GIEDHN N#CCc1cccc(NC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)c1 ZINC000456762921 822829744 /nfs/dbraw/zinc/82/97/44/822829744.db2.gz ZFGBYXAQKQGHAG-RTBURBONSA-N 0 3 387.405 4.002 20 30 GIEDHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000054727016 822907905 /nfs/dbraw/zinc/90/79/05/822907905.db2.gz LEKJWJPZMDQDHM-AEFFLSMTSA-N 0 3 380.492 4.080 20 30 GIEDHN Cc1ccc(Br)cc1CNCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000190294908 823560013 /nfs/dbraw/zinc/56/00/13/823560013.db2.gz GATYASQLQUOLQD-UHFFFAOYSA-N 0 3 395.304 4.320 20 30 GIEDHN C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411413255 823571441 /nfs/dbraw/zinc/57/14/41/823571441.db2.gz CVIUZFHIRPHMHK-GJZGRUSLSA-N 0 3 382.533 4.161 20 30 GIEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccccc2s1 ZINC000190623206 823592747 /nfs/dbraw/zinc/59/27/47/823592747.db2.gz IHNAACNWVRRQQH-KXBFYZLASA-N 0 3 375.497 4.225 20 30 GIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062375532 823630720 /nfs/dbraw/zinc/63/07/20/823630720.db2.gz GRSNGWGYCMXIBV-UHFFFAOYSA-N 0 3 391.302 4.461 20 30 GIEDHN N#Cc1ccc(C2=CCN(C(=O)c3cccc(CN4CCCCC4)c3)CC2)cc1 ZINC000412220496 823636748 /nfs/dbraw/zinc/63/67/48/823636748.db2.gz CTJNSKOPHUQNQI-UHFFFAOYSA-N 0 3 385.511 4.474 20 30 GIEDHN N#Cc1ccsc1NC(=O)CCN(CCC(F)(F)F)Cc1ccccc1 ZINC000191242280 823662591 /nfs/dbraw/zinc/66/25/91/823662591.db2.gz JEBGAILLDMBPIE-UHFFFAOYSA-N 0 3 381.423 4.403 20 30 GIEDHN CCC1(CC)[C@H](NCC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1OC ZINC000191367649 823677303 /nfs/dbraw/zinc/67/73/03/823677303.db2.gz ANYHNPMCROFAQN-KFKAGJAMSA-N 0 3 389.565 4.203 20 30 GIEDHN CCC1(CC)[C@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1OC ZINC000191391830 823679766 /nfs/dbraw/zinc/67/97/66/823679766.db2.gz HAEJOQGMNAORIO-IPELMVKDSA-N 0 3 389.565 4.060 20 30 GIEDHN N#CC(C(=O)CCOCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000125598533 823688719 /nfs/dbraw/zinc/68/87/19/823688719.db2.gz BBGXJAYVQQMSDI-KRWDZBQOSA-N 0 3 391.254 4.248 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCC1(C#N)CCCCC1 ZINC000412987555 823698091 /nfs/dbraw/zinc/69/80/91/823698091.db2.gz KIHGGRSWPWVLAB-UHFFFAOYSA-N 0 3 387.597 4.449 20 30 GIEDHN Cn1cc(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000191662885 823726918 /nfs/dbraw/zinc/72/69/18/823726918.db2.gz WHIYQYUBBQTPFL-KRWDZBQOSA-N 0 3 376.426 4.369 20 30 GIEDHN CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000574506607 823750959 /nfs/dbraw/zinc/75/09/59/823750959.db2.gz PHNWUQCSOPRDSH-ORYQWCPZSA-N 0 3 397.906 4.091 20 30 GIEDHN CN(CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000461946825 823768202 /nfs/dbraw/zinc/76/82/02/823768202.db2.gz HWGGQMUEIZSQNB-PKTZIBPZSA-N 0 3 390.531 4.022 20 30 GIEDHN CC(C)(C)[C@H](CN1CCc2ccccc2C1)NC(=O)N1CCC(CCC#N)CC1 ZINC000574570124 823769615 /nfs/dbraw/zinc/76/96/15/823769615.db2.gz GSJGHNFVXAKDAA-QFIPXVFZSA-N 0 3 396.579 4.185 20 30 GIEDHN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000192052126 823844994 /nfs/dbraw/zinc/84/49/94/823844994.db2.gz NSLQYOGZVYCQNM-ZLGUVYLKSA-N 0 3 397.906 4.095 20 30 GIEDHN Cc1ccc(C)c(OC2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000064631953 823855359 /nfs/dbraw/zinc/85/53/59/823855359.db2.gz GELHOYLAIIZMNA-UHFFFAOYSA-N 0 3 383.517 4.109 20 30 GIEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 ZINC000126577968 823904136 /nfs/dbraw/zinc/90/41/36/823904136.db2.gz WQCVBDFLLCFQFY-LBPRGKRZSA-N 0 3 381.429 4.036 20 30 GIEDHN Cc1oc(-c2ccsc2)nc1CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000170709644 823949814 /nfs/dbraw/zinc/94/98/14/823949814.db2.gz CDYNOQDUVKRPKG-OAHLLOKOSA-N 0 3 399.859 4.255 20 30 GIEDHN Cc1ccc(N(CCC#N)C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)cc1 ZINC000171027980 824042206 /nfs/dbraw/zinc/04/22/06/824042206.db2.gz HFUNILLSHRKXGG-UHFFFAOYSA-N 0 3 390.531 4.086 20 30 GIEDHN CN1CCC(N(Cc2ccco2)C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000458807678 823089471 /nfs/dbraw/zinc/08/94/71/823089471.db2.gz XYFDNWUCQXGFBL-JOCHJYFZSA-N 0 3 394.519 4.321 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cccc(SCC#N)c1 ZINC000176001188 823092601 /nfs/dbraw/zinc/09/26/01/823092601.db2.gz OJGIEFQSIYZXDM-GOSISDBHSA-N 0 3 379.529 4.039 20 30 GIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2cccnc2)cc1 ZINC000570882220 823101511 /nfs/dbraw/zinc/10/15/11/823101511.db2.gz OLUBWGIVSOMLJX-UHFFFAOYSA-N 0 3 387.483 4.181 20 30 GIEDHN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000187666299 823109416 /nfs/dbraw/zinc/10/94/16/823109416.db2.gz LNJIZCJTPSIXKI-FUHWJXTLSA-N 0 3 380.467 4.292 20 30 GIEDHN C=CCOc1ccc(CN[C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc1 ZINC000571302372 823162288 /nfs/dbraw/zinc/16/22/88/823162288.db2.gz LKQXXQQKAVYEEA-HTAPYJJXSA-N 0 3 382.479 4.232 20 30 GIEDHN CCOc1ccc(C#N)cc1NC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000056802240 823216129 /nfs/dbraw/zinc/21/61/29/823216129.db2.gz CVYVCDYTFNUSMQ-UHFFFAOYSA-N 0 3 392.503 4.005 20 30 GIEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000121674921 823228099 /nfs/dbraw/zinc/22/80/99/823228099.db2.gz LJOYDBNLRIKLKN-GUYCJALGSA-N 0 3 380.410 4.357 20 30 GIEDHN COc1ccc([C@@H](CCC#N)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787775 823234337 /nfs/dbraw/zinc/23/43/37/823234337.db2.gz CGUMBKFZQHFABP-RPWUZVMVSA-N 0 3 393.531 4.012 20 30 GIEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000121780129 823249510 /nfs/dbraw/zinc/24/95/10/823249510.db2.gz MOSUJTPFJJSPQP-OAHLLOKOSA-N 0 3 392.198 4.171 20 30 GIEDHN COc1ccccc1[C@H](CN=Cc1cc2ccccc2[nH]c1=O)N1CCCC1 ZINC000121783407 823250193 /nfs/dbraw/zinc/25/01/93/823250193.db2.gz HGFWLCHCGVJBJJ-SGSZHJQISA-N 0 3 375.472 4.205 20 30 GIEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000176722585 823277096 /nfs/dbraw/zinc/27/70/96/823277096.db2.gz RZQFEJZRIFAGIX-OAHLLOKOSA-N 0 3 376.790 4.288 20 30 GIEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261584 818025814 /nfs/dbraw/zinc/02/58/14/818025814.db2.gz GUMZUPQBLXGXNX-HNNXBMFYSA-N 0 3 396.541 4.438 20 30 GIEDHN Cc1csc(C(C#N)C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000122337611 823340275 /nfs/dbraw/zinc/34/02/75/823340275.db2.gz JWVLBNDXRYQWRC-HNNXBMFYSA-N 0 3 384.461 4.086 20 30 GIEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000027762397 820283870 /nfs/dbraw/zinc/28/38/70/820283870.db2.gz QSCYIOAVCKAYLL-KRWDZBQOSA-N 0 3 379.529 4.314 20 30 GIEDHN N#Cc1ccc2ncc(CNCc3cccc(COCc4ccccc4)c3)n2c1 ZINC000123291163 823491483 /nfs/dbraw/zinc/49/14/83/823491483.db2.gz GOLASYXBDYRGFX-UHFFFAOYSA-N 0 3 382.467 4.213 20 30 GIEDHN C[C@@H](NC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000031101880 820742467 /nfs/dbraw/zinc/74/24/67/820742467.db2.gz JFXXTRNDRKYFMC-XLIONFOSSA-N 0 3 396.560 4.453 20 30 GIEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000031655185 820839668 /nfs/dbraw/zinc/83/96/68/820839668.db2.gz OOARXILZYDXWRC-SFHVURJKSA-N 0 3 390.531 4.226 20 30 GIEDHN Cc1ccc(C(=O)N[C@@H](C(=O)C(C#N)c2nc(C(C)C)cs2)C(C)C)cc1 ZINC000177743540 823519415 /nfs/dbraw/zinc/51/94/15/823519415.db2.gz GDKGDFZTURFNHY-SJLPKXTDSA-N 0 3 383.517 4.206 20 30 GIEDHN C[C@@H]1CCc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c2[C@@H]1C ZINC000410977659 823527354 /nfs/dbraw/zinc/52/73/54/823527354.db2.gz CGSFAMVJESMOML-CKEIUWERSA-N 0 3 388.496 4.498 20 30 GIEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3CC#N)cc2)CC1 ZINC000410963625 823525163 /nfs/dbraw/zinc/52/51/63/823525163.db2.gz GGGSPTWFXSCIAN-UHFFFAOYSA-N 0 3 396.922 4.189 20 30 GIEDHN CCOc1cc(CN(C)CCOc2ccccc2C#N)ccc1OC(F)F ZINC000060468126 823531486 /nfs/dbraw/zinc/53/14/86/823531486.db2.gz VPRJJAHJSIZRJM-UHFFFAOYSA-N 0 3 376.403 4.069 20 30 GIEDHN C[C@@H]1C[C@H](C)Cc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c21 ZINC000411009496 823532728 /nfs/dbraw/zinc/53/27/28/823532728.db2.gz JPZFXVBOVLYOQE-VBQJREDUSA-N 0 3 388.496 4.498 20 30 GIEDHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000041496719 821199401 /nfs/dbraw/zinc/19/94/01/821199401.db2.gz ATWKDPFWCXLZTG-OAHLLOKOSA-N 0 3 384.443 4.256 20 30 GIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc(Cn4cncn4)cc3)n2)cc1 ZINC000041512085 821201865 /nfs/dbraw/zinc/20/18/65/821201865.db2.gz QARXGLQOLZUGCD-IBGZPJMESA-N 0 3 399.479 4.248 20 30 GIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-n4cncn4)cc3)n2)cc1 ZINC000041513229 821202523 /nfs/dbraw/zinc/20/25/23/821202523.db2.gz ZNQXZUGWSJDPQH-GOSISDBHSA-N 0 3 385.452 4.189 20 30 GIEDHN CCOc1c(Br)cc(C(=O)C(C#N)c2nc(C)cs2)cc1OC ZINC000041521484 821204869 /nfs/dbraw/zinc/20/48/69/821204869.db2.gz WXWOFDVYDRLTFU-LLVKDONJSA-N 0 3 395.278 4.111 20 30 GIEDHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180800445 821465420 /nfs/dbraw/zinc/46/54/20/821465420.db2.gz MAFKYHYLYGTNTF-ZBFHGGJFSA-N 0 3 378.398 4.030 20 30 GIEDHN C[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180899557 821523567 /nfs/dbraw/zinc/52/35/67/821523567.db2.gz YKVBMLGAUODGFU-GOSISDBHSA-N 0 3 376.504 4.084 20 30 GIEDHN C[C@@H](N[C@H](C)c1ccc(-c2cccnc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181286793 821735889 /nfs/dbraw/zinc/73/58/89/821735889.db2.gz RMOGNBBEEVGROT-QZTJIDSGSA-N 0 3 376.504 4.130 20 30 GIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H](CC1CCC1)c1ccccc1 ZINC000181347115 821777069 /nfs/dbraw/zinc/77/70/69/821777069.db2.gz YVFQJLSGYGUVJI-QFIPXVFZSA-N 0 3 399.498 4.204 20 30 GIEDHN C[C@H](NCc1cccc(NC(=O)c2ccncc2)c1)c1ccc(OCC#N)cc1 ZINC000181547425 821875665 /nfs/dbraw/zinc/87/56/65/821875665.db2.gz HTRFLWHHASHKKF-KRWDZBQOSA-N 0 3 386.455 4.087 20 30 GIEDHN COc1ccc(NC(=O)C[C@@H](C)N[C@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573081 821885046 /nfs/dbraw/zinc/88/50/46/821885046.db2.gz DJAVWYLOVRIEDP-VQIMIIECSA-N 0 3 381.476 4.056 20 30 GIEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000181676758 821939283 /nfs/dbraw/zinc/93/92/83/821939283.db2.gz LRXIFHJTRLATIT-LJQANCHMSA-N 0 3 397.544 4.195 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(OC)c1 ZINC000182559900 822302304 /nfs/dbraw/zinc/30/23/04/822302304.db2.gz LZPGWMJZZZWXSO-JOCHJYFZSA-N 0 3 391.515 4.063 20 30 GIEDHN CC(C)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000045151508 822366150 /nfs/dbraw/zinc/36/61/50/822366150.db2.gz QSOYENIJFFHLMT-JOCHJYFZSA-N 0 3 396.510 4.168 20 30 GIEDHN Cc1nccn1-c1ccc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000183155884 822432783 /nfs/dbraw/zinc/43/27/83/822432783.db2.gz LBWISPPMKBRKAV-AWEZNQCLSA-N 0 3 393.516 4.020 20 30 GIEDHN N#CCCn1cc(CN2CC[C@@H](Oc3cccc(F)c3)C2)c(-c2ccccc2)n1 ZINC000183210444 822442167 /nfs/dbraw/zinc/44/21/67/822442167.db2.gz SAAZGNLNICVENE-JOCHJYFZSA-N 0 3 390.462 4.256 20 30 GIEDHN CC(C)(C)OC(=O)N1CCC(CC(=O)C(C#N)c2nc3ccccc3o2)CC1 ZINC000179307266 822463724 /nfs/dbraw/zinc/46/37/24/822463724.db2.gz SZGSOKXXPULCDA-HNNXBMFYSA-N 0 3 383.448 4.041 20 30 GIEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316233 822465141 /nfs/dbraw/zinc/46/51/41/822465141.db2.gz SAYGMQCMWTXWTP-HUUCEWRRSA-N 0 3 383.458 4.147 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](C)c1cc(C)sc1C ZINC000179372460 822472781 /nfs/dbraw/zinc/47/27/81/822472781.db2.gz OFRWBAWOKFNKKB-HOTGVXAUSA-N 0 3 385.533 4.360 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](C)c1cc(C)sc1C ZINC000179372472 822472802 /nfs/dbraw/zinc/47/28/02/822472802.db2.gz OFRWBAWOKFNKKB-HZPDHXFCSA-N 0 3 385.533 4.360 20 30 GIEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000179472852 822487668 /nfs/dbraw/zinc/48/76/68/822487668.db2.gz KFSKDBIDVKBREB-CYBMUJFWSA-N 0 3 384.848 4.113 20 30 GIEDHN C=CCSc1ccccc1NC(=O)CN[C@H](C)c1cccc(-n2cccn2)c1 ZINC000183563791 822495291 /nfs/dbraw/zinc/49/52/91/822495291.db2.gz FCRCWHUTRVFSJP-QGZVFWFLSA-N 0 3 392.528 4.440 20 30 GIEDHN CC[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccccc1OCC(=O)N(C)C ZINC000179730163 822537011 /nfs/dbraw/zinc/53/70/11/822537011.db2.gz CFSUVFPAIFCTNH-OAQYLSRUSA-N 0 3 393.531 4.196 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)cc1 ZINC000179796353 822554601 /nfs/dbraw/zinc/55/46/01/822554601.db2.gz NZAYPYGDXDBLMT-IFXJQAMLSA-N 0 3 384.863 4.265 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000180016345 822597087 /nfs/dbraw/zinc/59/70/87/822597087.db2.gz SJGLTESNKGWYRN-AZUAARDMSA-N 0 3 392.503 4.106 20 30 GIEDHN CC[C@@H]1Oc2cc([C@H](C)NCc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028720 822600360 /nfs/dbraw/zinc/60/03/60/822600360.db2.gz XUNSOPCAXWMIJG-YWZLYKJASA-N 0 3 377.488 4.448 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CNCc2cn(C)nc2-c2ccccc2)ccc1OC ZINC000180236337 822645589 /nfs/dbraw/zinc/64/55/89/822645589.db2.gz FQOFCTNODIXVPE-HXUWFJFHSA-N 0 3 390.487 4.066 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CNCc2cn(C)nc2-c2ccccc2)ccc1OC ZINC000180236323 822645687 /nfs/dbraw/zinc/64/56/87/822645687.db2.gz FQOFCTNODIXVPE-FQEVSTJZSA-N 0 3 390.487 4.066 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccsc1 ZINC000048228558 822647014 /nfs/dbraw/zinc/64/70/14/822647014.db2.gz DRPHPJWJEDPABM-LJQANCHMSA-N 0 3 387.574 4.052 20 30 GIEDHN Cc1cc(C)n(-c2ccccc2CNCc2cn(C)nc2-c2ccc(C#N)cc2)n1 ZINC000180295828 822658197 /nfs/dbraw/zinc/65/81/97/822658197.db2.gz NYEYUOXPEBFZJL-UHFFFAOYSA-N 0 3 396.498 4.051 20 30 GIEDHN Cn1cc(CNCc2ccc(-c3ccccc3C#N)cc2)c(-c2ccncc2)n1 ZINC000180334785 822665183 /nfs/dbraw/zinc/66/51/83/822665183.db2.gz CAXOMRFWKBWNKV-UHFFFAOYSA-N 0 3 379.467 4.311 20 30 GIEDHN N#CC(C(=O)CCCOc1ccccc1Br)c1nc2ccccc2[nH]1 ZINC000048813474 822684242 /nfs/dbraw/zinc/68/42/42/822684242.db2.gz TZJRLAYVETVZMY-CYBMUJFWSA-N 0 3 398.260 4.361 20 30 GIEDHN N#Cc1ccc2ncc(CN3CCCCC[C@H]3C[C@@H](O)c3cccs3)n2c1 ZINC000180508772 822693467 /nfs/dbraw/zinc/69/34/67/822693467.db2.gz PYPXNQOKDISVTA-PKOBYXMFSA-N 0 3 380.517 4.136 20 30 GIEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180542923 822699095 /nfs/dbraw/zinc/69/90/95/822699095.db2.gz VWLBYMQCICDQIH-HOTGVXAUSA-N 0 3 378.476 4.285 20 30 GIEDHN N#CCOc1ccc(CN[C@@H]2CCCOc3cc(Br)ccc32)cc1 ZINC000180550692 822700660 /nfs/dbraw/zinc/70/06/60/822700660.db2.gz UKXRQXIONVBBJF-GOSISDBHSA-N 0 3 387.277 4.355 20 30 GIEDHN N#CC(C(=O)CCCCc1nc2ccccc2s1)C(=O)NCc1ccccc1 ZINC000049487758 822701002 /nfs/dbraw/zinc/70/10/02/822701002.db2.gz AOSCDVCXIQAGJE-KRWDZBQOSA-N 0 3 391.496 4.034 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724522 822714267 /nfs/dbraw/zinc/71/42/67/822714267.db2.gz CDUDFJJHTNALGI-QRWLVFNGSA-N 0 3 382.895 4.048 20 30 GIEDHN CSc1cccc(C)c1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000184938155 822715783 /nfs/dbraw/zinc/71/57/83/822715783.db2.gz OXRSYNOXQHPNKJ-UHFFFAOYSA-N 0 3 382.533 4.184 20 30 GIEDHN C=CC1CCN(C(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)CC1 ZINC000455943637 822754742 /nfs/dbraw/zinc/75/47/42/822754742.db2.gz LLDZSDNUWGZARW-UHFFFAOYSA-N 0 3 377.916 4.243 20 30 GIEDHN C=C[C@@H]1CCCCN1C(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1 ZINC000455948648 822756168 /nfs/dbraw/zinc/75/61/68/822756168.db2.gz UKWGHVBTEAMISE-MRXNPFEDSA-N 0 3 377.916 4.385 20 30 GIEDHN CN(C)CCN(C)C(=O)Nc1ccc(Sc2ccc(Cl)cc2C#N)cc1 ZINC000455982708 822761425 /nfs/dbraw/zinc/76/14/25/822761425.db2.gz LNYZPJGNZCGDRL-UHFFFAOYSA-N 0 3 388.924 4.388 20 30 GIEDHN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000051655368 822771782 /nfs/dbraw/zinc/77/17/82/822771782.db2.gz WYCVBSMDVKUUJL-IYNGYCSASA-N 0 3 381.338 4.050 20 30 GIEDHN N#Cc1c2c(sc1NC(=O)CCN(Cc1cccnc1)C1CC1)CCCCC2 ZINC000174973558 822863036 /nfs/dbraw/zinc/86/30/36/822863036.db2.gz QEFUHIMIIXIFMK-UHFFFAOYSA-N 0 3 394.544 4.277 20 30 GIEDHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000054727010 822908004 /nfs/dbraw/zinc/90/80/04/822908004.db2.gz LEKJWJPZMDQDHM-FUHWJXTLSA-N 0 3 380.492 4.080 20 30 GIEDHN CN(C)Cc1ccccc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055228308 822947048 /nfs/dbraw/zinc/94/70/48/822947048.db2.gz TWLWNOGLINNVQZ-UHFFFAOYSA-N 0 3 385.467 4.451 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000187235160 823028641 /nfs/dbraw/zinc/02/86/41/823028641.db2.gz FIJAYIGBHTYMLV-CQSZACIVSA-N 0 3 381.395 4.200 20 30 GIEDHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000411539613 823586468 /nfs/dbraw/zinc/58/64/68/823586468.db2.gz FPKIRUPVTLULHC-CYBMUJFWSA-N 0 3 387.915 4.151 20 30 GIEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609853 823591265 /nfs/dbraw/zinc/59/12/65/823591265.db2.gz NFXNVBFFJBZBBY-PMACEKPBSA-N 0 3 399.441 4.001 20 30 GIEDHN CC(C)COc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190627078 823593265 /nfs/dbraw/zinc/59/32/65/823593265.db2.gz QAFZHTNIZCXISU-MBSDFSHPSA-N 0 3 391.515 4.045 20 30 GIEDHN N#CC(C(=O)c1cccc(OCc2cccnc2)c1)c1cnc2ccccc2n1 ZINC000190888275 823620188 /nfs/dbraw/zinc/62/01/88/823620188.db2.gz HDWSEFVEFCYMRL-IBGZPJMESA-N 0 3 380.407 4.094 20 30 GIEDHN CCOc1c(Cl)cc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1OC ZINC000190896264 823621213 /nfs/dbraw/zinc/62/12/13/823621213.db2.gz BYKQJOCQGMUQTI-CYBMUJFWSA-N 0 3 381.819 4.181 20 30 GIEDHN COc1ccc([C@@H](Cc2ccccc2C)NCc2cc(C#N)n(C)c2)cc1OC ZINC000190902872 823622202 /nfs/dbraw/zinc/62/22/02/823622202.db2.gz MOYAHEHVHXQWPH-JOCHJYFZSA-N 0 3 389.499 4.296 20 30 GIEDHN C=CCN(CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cccc(C#N)c1 ZINC000063300295 823660873 /nfs/dbraw/zinc/66/08/73/823660873.db2.gz ABQRRXKHYQFHRN-UHFFFAOYSA-N 0 3 383.879 4.237 20 30 GIEDHN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125271470 823663753 /nfs/dbraw/zinc/66/37/53/823663753.db2.gz STDVDBCPUMITRQ-PWSUYJOCSA-N 0 3 394.283 4.217 20 30 GIEDHN Cc1ncn(-c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2)c1C ZINC000574335242 823704313 /nfs/dbraw/zinc/70/43/13/823704313.db2.gz YQSWVBBRXXZCCJ-UHFFFAOYSA-N 0 3 385.515 4.437 20 30 GIEDHN Cn1cc(CN[C@H]2CCCc3cc(NC(=O)OC(C)(C)C)ccc32)cc1C#N ZINC000191618842 823714809 /nfs/dbraw/zinc/71/48/09/823714809.db2.gz AAEIUCGUVIQLJC-FQEVSTJZSA-N 0 3 380.492 4.411 20 30 GIEDHN CN(CCN(Cc1ccccc1)C(=O)N[C@@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000461946826 823768165 /nfs/dbraw/zinc/76/81/65/823768165.db2.gz HWGGQMUEIZSQNB-XZOQPEGZSA-N 0 3 390.531 4.022 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]1C#N)c1ccc(C(F)(F)F)cc1 ZINC000461953698 823770352 /nfs/dbraw/zinc/77/03/52/823770352.db2.gz AYDVAEOFBZTRBR-RYQLBKOJSA-N 0 3 396.457 4.080 20 30 GIEDHN COc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000064720085 823870644 /nfs/dbraw/zinc/87/06/44/823870644.db2.gz LLIQZYDJWCSSKZ-OAQYLSRUSA-N 0 3 392.503 4.162 20 30 GIEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(-c4ccccc4)s3)C2=O)cc1 ZINC000192244937 823914864 /nfs/dbraw/zinc/91/48/64/823914864.db2.gz GEHRSCVXBNLYGA-OAQYLSRUSA-N 0 3 387.508 4.177 20 30 GIEDHN C=CCN1CCC(NC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)CC1 ZINC000170946172 824010892 /nfs/dbraw/zinc/01/08/92/824010892.db2.gz WGGKAZKIZQBXAX-OAQYLSRUSA-N 0 3 384.520 4.426 20 30 GIEDHN CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000171039159 824044575 /nfs/dbraw/zinc/04/45/75/824044575.db2.gz DNZYWJWJGAZCQC-HSZRJFAPSA-N 0 3 390.531 4.315 20 30 GIEDHN N#Cc1nc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)cc1Cl ZINC001164623337 719108300 /nfs/dbraw/zinc/10/83/00/719108300.db2.gz CMLJLMRSZFIYQS-HNAYVOBHSA-N 0 3 387.314 4.361 20 30 GIEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(SCC#N)c1 ZINC000175938445 823077192 /nfs/dbraw/zinc/07/71/92/823077192.db2.gz PEBBHSHFLAJIKH-UHFFFAOYSA-N 0 3 387.936 4.160 20 30 GIEDHN COc1cccc([C@@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000175945051 823078983 /nfs/dbraw/zinc/07/89/83/823078983.db2.gz NHPAYJNVKNSTCS-LRDDRELGSA-N 0 3 388.826 4.329 20 30 GIEDHN C[C@H](NC(=O)N[C@@H](CCCC#N)c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000458779638 823084699 /nfs/dbraw/zinc/08/46/99/823084699.db2.gz RQENMLBOQOGAPB-NYVOZVTQSA-N 0 3 378.520 4.412 20 30 GIEDHN COc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OCCCC#N ZINC000175985297 823088735 /nfs/dbraw/zinc/08/87/35/823088735.db2.gz HYIFPGLNHRTWGR-UHFFFAOYSA-N 0 3 383.448 4.311 20 30 GIEDHN C[C@H](CC(=O)Nc1cccc(F)c1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000570873829 823099841 /nfs/dbraw/zinc/09/98/41/823099841.db2.gz JVHKMQQOPFONMH-CQSZACIVSA-N 0 3 378.369 4.203 20 30 GIEDHN COc1cc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)ccc1C#N ZINC000571272466 823159007 /nfs/dbraw/zinc/15/90/07/823159007.db2.gz IGPDOHQUUBWZOQ-UHFFFAOYSA-N 0 3 386.377 4.061 20 30 GIEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000121776980 823248168 /nfs/dbraw/zinc/24/81/68/823248168.db2.gz OEWGCCCLCIDJRK-CYBMUJFWSA-N 0 3 392.198 4.171 20 30 GIEDHN COc1cccc([C@@H](CN=Cc2cc3ccccc3[nH]c2=O)N2CCCC2)c1 ZINC000121785388 823250734 /nfs/dbraw/zinc/25/07/34/823250734.db2.gz YUDIDGPHXLIILZ-VCOZGABYSA-N 0 3 375.472 4.205 20 30 GIEDHN CCOc1cc(CNCC(C)(C)CC#N)cc(Br)c1OC(F)F ZINC000459739025 823258811 /nfs/dbraw/zinc/25/88/11/823258811.db2.gz YRKXBRYTTRLGGD-UHFFFAOYSA-N 0 3 391.256 4.479 20 30 GIEDHN CN1CC[C@H]2CCN(C(=O)Nc3ccc(Sc4ccccc4C#N)cc3)[C@@H]2C1 ZINC000571994903 823267155 /nfs/dbraw/zinc/26/71/55/823267155.db2.gz RANPANQAIJPGAZ-OXJNMPFZSA-N 0 3 392.528 4.267 20 30 GIEDHN CC(=O)Nc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1F ZINC000572207371 823300606 /nfs/dbraw/zinc/30/06/06/823300606.db2.gz GSCOVMBECRDERB-LBPRGKRZSA-N 0 3 386.333 4.019 20 30 GIEDHN Cn1cccc1[C@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000007855235 817939771 /nfs/dbraw/zinc/93/97/71/817939771.db2.gz GBDYLBXEXPGUQA-GOSISDBHSA-N 0 3 382.533 4.003 20 30 GIEDHN N#CC(C(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000122222569 823323989 /nfs/dbraw/zinc/32/39/89/823323989.db2.gz DUOQXQNQEPXCMD-BFHYXJOUSA-N 0 3 385.345 4.441 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccc(N3CCSCC3)cc2)ccc1OC ZINC000057964845 823351203 /nfs/dbraw/zinc/35/12/03/823351203.db2.gz IALOIOLKASSZDX-UHFFFAOYSA-N 0 3 398.572 4.493 20 30 GIEDHN C[C@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CN1C1CC1 ZINC000177105227 823372654 /nfs/dbraw/zinc/37/26/54/823372654.db2.gz KHCSQRWRRIRYDY-DOTOQJQBSA-N 0 3 377.513 4.064 20 30 GIEDHN C[C@@H]1C[C@@H](NC(=O)c2ccccc2Sc2ccccc2C#N)CN1C1CC1 ZINC000177105214 823372735 /nfs/dbraw/zinc/37/27/35/823372735.db2.gz KHCSQRWRRIRYDY-NVXWUHKLSA-N 0 3 377.513 4.064 20 30 GIEDHN CCCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1Cc1ccccc1 ZINC000123040350 823451718 /nfs/dbraw/zinc/45/17/18/823451718.db2.gz BZTHHIPIBRNMQV-SFHVURJKSA-N 0 3 397.482 4.261 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H]2CCC[C@H](C)C2)c1C#N ZINC000026472696 820101658 /nfs/dbraw/zinc/10/16/58/820101658.db2.gz QJEBMEXKLBDPED-MAUKXSAKSA-N 0 3 382.508 4.067 20 30 GIEDHN C=CCN1CC[C@@H](N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)C1=O ZINC000410381509 823481873 /nfs/dbraw/zinc/48/18/73/823481873.db2.gz LYWZOJNTJORHRJ-JOCHJYFZSA-N 0 3 378.516 4.360 20 30 GIEDHN CCCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000060348992 823518010 /nfs/dbraw/zinc/51/80/10/823518010.db2.gz NLQMBSGVSJUDRT-JOCHJYFZSA-N 0 3 376.504 4.467 20 30 GIEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cc2)CC1 ZINC000177751175 823520536 /nfs/dbraw/zinc/52/05/36/823520536.db2.gz FRUHWEGQDXHALV-UHFFFAOYSA-N 0 3 396.922 4.019 20 30 GIEDHN C[C@@H]1Cc2c(C#N)c(NC(=O)C(C#N)Cc3ccc(C#N)cc3)sc2[C@@H](C)C1 ZINC000410992994 823530366 /nfs/dbraw/zinc/53/03/66/823530366.db2.gz XYMZXFWIWNEAPS-ZQIUZPCESA-N 0 3 388.496 4.498 20 30 GIEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)c1nc2ccccc2[nH]1 ZINC000041495903 821198270 /nfs/dbraw/zinc/19/82/70/821198270.db2.gz WSONMVWAPKTWOV-AWEZNQCLSA-N 0 3 391.818 4.075 20 30 GIEDHN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc(Cn4cncn4)cc3)n2)cc1 ZINC000041512089 821201990 /nfs/dbraw/zinc/20/19/90/821201990.db2.gz QARXGLQOLZUGCD-LJQANCHMSA-N 0 3 399.479 4.248 20 30 GIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000042813546 821334966 /nfs/dbraw/zinc/33/49/66/821334966.db2.gz XFEZUCXZKIPTLG-QHCPKHFHSA-N 0 3 390.531 4.317 20 30 GIEDHN C#CCOc1ccc(CN2CCC(N(CCC)C(=O)c3cccs3)CC2)cc1 ZINC000180749928 821433220 /nfs/dbraw/zinc/43/32/20/821433220.db2.gz BPZKMELWLTWNFS-UHFFFAOYSA-N 0 3 396.556 4.277 20 30 GIEDHN C[C@@](C#N)(NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771809 821446031 /nfs/dbraw/zinc/44/60/31/821446031.db2.gz UMKGUNKIZZEINU-UNMCSNQZSA-N 0 3 381.907 4.022 20 30 GIEDHN C[C@@H](CC(=O)Nc1cccnc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000181214218 821701410 /nfs/dbraw/zinc/70/14/10/821701410.db2.gz RMZKBOGLTHVOQT-ZDUSSCGKSA-N 0 3 395.812 4.112 20 30 GIEDHN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H](CC1CCC1)c1ccccc1 ZINC000181347094 821776983 /nfs/dbraw/zinc/77/69/83/821776983.db2.gz YVFQJLSGYGUVJI-JOCHJYFZSA-N 0 3 399.498 4.204 20 30 GIEDHN CC(C)N(CCN(C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000181768680 821984735 /nfs/dbraw/zinc/98/47/35/821984735.db2.gz PPMGGTIOQSAVBK-UHFFFAOYSA-N 0 3 394.519 4.136 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955878 822045392 /nfs/dbraw/zinc/04/53/92/822045392.db2.gz MKIOXXNJODGNCG-LPHOPBHVSA-N 0 3 379.460 4.129 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)c(F)cc2Cl)CC1 ZINC000177992794 822273625 /nfs/dbraw/zinc/27/36/25/822273625.db2.gz CETFLGILBLSJEQ-UHFFFAOYSA-N 0 3 390.684 4.014 20 30 GIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OC(CC)CC)cc2)n1 ZINC000453627030 822395391 /nfs/dbraw/zinc/39/53/91/822395391.db2.gz KWKQKFKMNDQZOC-INIZCTEOSA-N 0 3 386.473 4.377 20 30 GIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000183098718 822424209 /nfs/dbraw/zinc/42/42/09/822424209.db2.gz VVOIKMNNTPBDPY-IFXJQAMLSA-N 0 3 385.414 4.006 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000179640813 822518182 /nfs/dbraw/zinc/51/81/82/822518182.db2.gz JKTHYXFBJMMXCK-UHFFFAOYSA-N 0 3 388.515 4.065 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(cccc2F)s1 ZINC000047010638 822537617 /nfs/dbraw/zinc/53/76/17/822537617.db2.gz DEJVRRVDSHDZRJ-UHFFFAOYSA-N 0 3 381.476 4.116 20 30 GIEDHN CCOCCOCc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179787043 822553016 /nfs/dbraw/zinc/55/30/16/822553016.db2.gz VULMFRTWXZDNMV-UHFFFAOYSA-N 0 3 393.531 4.188 20 30 GIEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)Cc1ccc(Cl)cc1 ZINC000179795324 822554385 /nfs/dbraw/zinc/55/43/85/822554385.db2.gz KEHMWTPINGLDDC-YOEHRIQHSA-N 0 3 384.863 4.265 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccsc1 ZINC000180043885 822603352 /nfs/dbraw/zinc/60/33/52/822603352.db2.gz CGVPFGKTBHUSHT-CRAIPNDOSA-N 0 3 386.521 4.244 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2Cl)o1)C(=O)NC1CCCCC1 ZINC000050680367 822735911 /nfs/dbraw/zinc/73/59/11/822735911.db2.gz URQJEWDIPOMQJR-INIZCTEOSA-N 0 3 399.878 4.085 20 30 GIEDHN Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2COc3ccccc32)ccc1Cl ZINC000185641672 822805929 /nfs/dbraw/zinc/80/59/29/822805929.db2.gz UHKKJAFKXQUQDO-QFBILLFUSA-N 0 3 397.906 4.049 20 30 GIEDHN C=CCn1c(SCCN(C)Cc2ccc(F)cc2)nnc1-c1ccoc1C ZINC000185682351 822809619 /nfs/dbraw/zinc/80/96/19/822809619.db2.gz JSQZLVHYWUMCNH-UHFFFAOYSA-N 0 3 386.496 4.396 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)CCCc2csc(C)n2)cc1 ZINC000175108215 822883341 /nfs/dbraw/zinc/88/33/41/822883341.db2.gz KTCXVQWSIJSRLM-LJQANCHMSA-N 0 3 383.517 4.464 20 30 GIEDHN CO[C@@H](C)c1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000175109742 822883823 /nfs/dbraw/zinc/88/38/23/822883823.db2.gz PAUULDNATJWYLH-BBRMVZONSA-N 0 3 393.468 4.273 20 30 GIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(c3ccsc3)CC1)CCC2 ZINC000186927788 822981811 /nfs/dbraw/zinc/98/18/11/822981811.db2.gz CHGJJNIPILOGSQ-UHFFFAOYSA-N 0 3 385.558 4.378 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(C(C)(F)F)c1 ZINC000186958887 822987271 /nfs/dbraw/zinc/98/72/71/822987271.db2.gz DNSLRQLSVZSJTC-UHFFFAOYSA-N 0 3 386.446 4.266 20 30 GIEDHN O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(CN2CCCC2)c1 ZINC000175714353 823025803 /nfs/dbraw/zinc/02/58/03/823025803.db2.gz IVVIVKKMPDHQBI-UHFFFAOYSA-N 0 3 386.417 4.083 20 30 GIEDHN CC1CCN([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000060630783 823549405 /nfs/dbraw/zinc/54/94/05/823549405.db2.gz FVJZFXCALWWJEO-HSZRJFAPSA-N 0 3 390.531 4.173 20 30 GIEDHN N#CC(C(=O)c1cncc(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000124635244 823612978 /nfs/dbraw/zinc/61/29/78/823612978.db2.gz JKCGCQSAJGWVID-GOSISDBHSA-N 0 3 391.862 4.210 20 30 GIEDHN COc1ccc([C@H]2CCCN2Cc2ccc(N(C)CCC#N)cc2)cc1OC ZINC000124668199 823615586 /nfs/dbraw/zinc/61/55/86/823615586.db2.gz VDUHZUXFOMDDQC-OAQYLSRUSA-N 0 3 379.504 4.391 20 30 GIEDHN COC(=O)C1(c2ccccc2)CCN(Cc2cccc(OCCCC#N)c2)CC1 ZINC000124842739 823630301 /nfs/dbraw/zinc/63/03/01/823630301.db2.gz SHJCTLIJVBRKJS-UHFFFAOYSA-N 0 3 392.499 4.076 20 30 GIEDHN C=CCN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(C#N)c1 ZINC000063300307 823660932 /nfs/dbraw/zinc/66/09/32/823660932.db2.gz AFWRNQFUGSHQPD-UHFFFAOYSA-N 0 3 378.863 4.100 20 30 GIEDHN CN(CCCC(C)(C)C#N)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191350954 823675187 /nfs/dbraw/zinc/67/51/87/823675187.db2.gz SRYBZAWPIAUJDT-UHFFFAOYSA-N 0 3 397.357 4.361 20 30 GIEDHN Cc1ccc(CCCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000063661734 823687511 /nfs/dbraw/zinc/68/75/11/823687511.db2.gz ILLMENDJDMFASR-UHFFFAOYSA-N 0 3 377.532 4.170 20 30 GIEDHN Cc1noc([C@H]2CCCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000191459669 823687632 /nfs/dbraw/zinc/68/76/32/823687632.db2.gz QZCZRFNCHATMLC-FQEVSTJZSA-N 0 3 386.499 4.457 20 30 GIEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2ccc(C)cc2)n1 ZINC000125688818 823696989 /nfs/dbraw/zinc/69/69/89/823696989.db2.gz PERUYMBUBZQZFG-SFHVURJKSA-N 0 3 383.517 4.066 20 30 GIEDHN CN(Cc1ccccc1C(C)(C)C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125825428 823721049 /nfs/dbraw/zinc/72/10/49/823721049.db2.gz HJHSRFOEVDUIRG-LJQANCHMSA-N 0 3 387.321 4.416 20 30 GIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000574506608 823750923 /nfs/dbraw/zinc/75/09/23/823750923.db2.gz PHNWUQCSOPRDSH-TYCQWZJGSA-N 0 3 397.906 4.091 20 30 GIEDHN CCCC(=O)Nc1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064614066 823852901 /nfs/dbraw/zinc/85/29/01/823852901.db2.gz SXMFOEYXZJOMQT-UHFFFAOYSA-N 0 3 395.503 4.406 20 30 GIEDHN N#Cc1ccc(CNC2(c3ccc(Br)cc3)CCOCC2)cc1F ZINC000192088320 823856203 /nfs/dbraw/zinc/85/62/03/823856203.db2.gz MJORUVVCHDZUFK-UHFFFAOYSA-N 0 3 389.268 4.255 20 30 GIEDHN Cc1cc(NC(=O)CCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)no1 ZINC000165848117 823864007 /nfs/dbraw/zinc/86/40/07/823864007.db2.gz HVNNMJLLUACZHR-UHFFFAOYSA-N 0 3 392.434 4.025 20 30 GIEDHN C[C@H](C(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210885 823873650 /nfs/dbraw/zinc/87/36/50/823873650.db2.gz GZILZWKDHOGPCM-MBSDFSHPSA-N 0 3 389.543 4.251 20 30 GIEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000167805677 823896009 /nfs/dbraw/zinc/89/60/09/823896009.db2.gz VSAYJIKFDUJPAZ-AWEZNQCLSA-N 0 3 392.242 4.137 20 30 GIEDHN N#Cc1ccc(N2CCC(NCc3c(F)cccc3OC(F)F)CC2)cc1 ZINC000575450169 823971896 /nfs/dbraw/zinc/97/18/96/823971896.db2.gz TUBFMVBZRJXGPU-UHFFFAOYSA-N 0 3 375.394 4.057 20 30 GIEDHN CCSc1ccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000171037102 824044000 /nfs/dbraw/zinc/04/40/00/824044000.db2.gz XJYDXHYMPOMDIR-CQSZACIVSA-N 0 3 394.283 4.462 20 30 GIEDHN CCN(CC)C(=O)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000192614778 824046225 /nfs/dbraw/zinc/04/62/25/824046225.db2.gz HBJOVCCRKHIDGB-UHFFFAOYSA-N 0 3 390.531 4.117 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCc1cc(C)sc1C ZINC000175944246 823078620 /nfs/dbraw/zinc/07/86/20/823078620.db2.gz HXHONXOMVRPHFR-KRWDZBQOSA-N 0 3 384.501 4.434 20 30 GIEDHN CN(C(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000458799965 823087723 /nfs/dbraw/zinc/08/77/23/823087723.db2.gz KSVHJLRAYZUSIK-DHIUTWEWSA-N 0 3 390.531 4.337 20 30 GIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458802101 823087904 /nfs/dbraw/zinc/08/79/04/823087904.db2.gz OTKNARXIEIDNTJ-QFIPXVFZSA-N 0 3 396.510 4.334 20 30 GIEDHN C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000187716228 823119112 /nfs/dbraw/zinc/11/91/12/823119112.db2.gz VRTUTFGWSHWCJX-CQSZACIVSA-N 0 3 383.879 4.329 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2Br)o1)c1ccccn1 ZINC000121246488 823146646 /nfs/dbraw/zinc/14/66/46/823146646.db2.gz QBVFDJWBBIFOLT-CQSZACIVSA-N 0 3 396.244 4.308 20 30 GIEDHN C=C[C@H](CC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000121704249 823233806 /nfs/dbraw/zinc/23/38/06/823233806.db2.gz BSCXVONVMGUNNM-RZUBCFFCSA-N 0 3 384.564 4.084 20 30 GIEDHN C[C@@H](CN1CCCCC1)NC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000121824776 823258355 /nfs/dbraw/zinc/25/83/55/823258355.db2.gz QCFDNTOKTDOMMT-SFHVURJKSA-N 0 3 393.556 4.455 20 30 GIEDHN N#CC(C(=O)CCCc1ccc(F)c(F)c1)C(=O)Nc1ccc(Cl)cc1 ZINC000176722568 823277027 /nfs/dbraw/zinc/27/70/27/823277027.db2.gz RZQFEJZRIFAGIX-HNNXBMFYSA-N 0 3 376.790 4.288 20 30 GIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000176722912 823277299 /nfs/dbraw/zinc/27/72/99/823277299.db2.gz VFBUEZSXCXRPBD-CQSZACIVSA-N 0 3 384.716 4.459 20 30 GIEDHN CCN(CC)c1ccc(/C=[NH+]/C2CCN(C(=O)Nc3ccccc3)CC2)c([O-])c1 ZINC000011123617 818054251 /nfs/dbraw/zinc/05/42/51/818054251.db2.gz YAUAEUFBYHKQBD-JJIBRWJFSA-N 0 3 394.519 4.354 20 30 GIEDHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122235058 823325487 /nfs/dbraw/zinc/32/54/87/823325487.db2.gz NVKNLOJVYURZHL-MRXNPFEDSA-N 0 3 398.470 4.266 20 30 GIEDHN C[C@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000122291957 823333426 /nfs/dbraw/zinc/33/34/26/823333426.db2.gz JDLANOUZHAIFFP-FZMZJTMJSA-N 0 3 389.908 4.191 20 30 GIEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000177247882 823409072 /nfs/dbraw/zinc/40/90/72/823409072.db2.gz DMLJMDRHTXRZJH-KRWDZBQOSA-N 0 3 398.576 4.471 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c1C#N ZINC000026472689 820101400 /nfs/dbraw/zinc/10/14/00/820101400.db2.gz QJEBMEXKLBDPED-CRAIPNDOSA-N 0 3 382.508 4.067 20 30 GIEDHN CC(C)[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000027449840 820246249 /nfs/dbraw/zinc/24/62/49/820246249.db2.gz ZOCZEUCHIOXPNC-NRFANRHFSA-N 0 3 388.433 4.160 20 30 GIEDHN CC(C)c1cccc(O[C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000410374347 823479622 /nfs/dbraw/zinc/47/96/22/823479622.db2.gz UDEBQQOPXVYIII-LJQANCHMSA-N 0 3 393.531 4.039 20 30 GIEDHN N#Cc1ccc2ncc(CNCc3ccc(-c4ccc5c(c4)CCCO5)cc3)n2c1 ZINC000123535572 823518686 /nfs/dbraw/zinc/51/86/86/823518686.db2.gz RVECXDXOYVCISB-UHFFFAOYSA-N 0 3 394.478 4.488 20 30 GIEDHN CC(C)Cn1nc(C(=O)C(C#N)c2nc(C(C)C)cs2)c2ccccc2c1=O ZINC000177772147 823523900 /nfs/dbraw/zinc/52/39/00/823523900.db2.gz PLWCCETXJSJRJE-INIZCTEOSA-N 0 3 394.500 4.122 20 30 GIEDHN Cc1nnc(-c2cccc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)c2)o1 ZINC000177849255 823535918 /nfs/dbraw/zinc/53/59/18/823535918.db2.gz UDSBTVZOUPYRPP-CQSZACIVSA-N 0 3 393.353 4.280 20 30 GIEDHN CC(C)n1ncc2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000041557530 821209971 /nfs/dbraw/zinc/20/99/71/821209971.db2.gz KGMDFCQKBWWLOO-AWEZNQCLSA-N 0 3 394.385 4.247 20 30 GIEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000042813551 821334786 /nfs/dbraw/zinc/33/47/86/821334786.db2.gz XFEZUCXZKIPTLG-HSZRJFAPSA-N 0 3 390.531 4.317 20 30 GIEDHN C[C@](C#N)(NC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771829 821446036 /nfs/dbraw/zinc/44/60/36/821446036.db2.gz UMKGUNKIZZEINU-IFMALSPDSA-N 0 3 381.907 4.022 20 30 GIEDHN CN(CCC#N)c1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180803841 821467384 /nfs/dbraw/zinc/46/73/84/821467384.db2.gz RBXIJXXYPVCKAC-SFHVURJKSA-N 0 3 391.441 4.089 20 30 GIEDHN COc1ccc(NC(=O)C[C@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000181215004 821702344 /nfs/dbraw/zinc/70/23/44/821702344.db2.gz NESOSYMOHUTYLO-HNNXBMFYSA-N 0 3 390.405 4.072 20 30 GIEDHN COc1ccccc1COC1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000181551633 821878191 /nfs/dbraw/zinc/87/81/91/821878191.db2.gz WXPZVURFYXBXFB-SFHVURJKSA-N 0 3 380.488 4.167 20 30 GIEDHN C[C@](C#N)(NC(=O)CN[C@H](Cc1ccccc1Cl)c1ccccc1)C1CC1 ZINC000181596911 821896656 /nfs/dbraw/zinc/89/66/56/821896656.db2.gz LGIKUFJPUPJVPE-IFMALSPDSA-N 0 3 381.907 4.022 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136581 822111205 /nfs/dbraw/zinc/11/12/05/822111205.db2.gz CLMXYSFSGRWPGS-MGPUTAFESA-N 0 3 381.476 4.185 20 30 GIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(-c2cccnc2)cc1 ZINC000183111470 822425840 /nfs/dbraw/zinc/42/58/40/822425840.db2.gz CSDIYQPCNYVNQG-HOYKHHGWSA-N 0 3 396.494 4.466 20 30 GIEDHN C=CCN1CCC(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000183432327 822474054 /nfs/dbraw/zinc/47/40/54/822474054.db2.gz GLTGQNDYKACBGC-UHFFFAOYSA-N 0 3 393.409 4.049 20 30 GIEDHN COc1ccc(Br)c(CC(=O)C(C#N)c2nc3ccccc3o2)c1 ZINC000179457941 822485834 /nfs/dbraw/zinc/48/58/34/822485834.db2.gz WGFZGIKYRUKLNL-ZDUSSCGKSA-N 0 3 385.217 4.018 20 30 GIEDHN Cc1ccc2oc(C(=O)C(C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2n1 ZINC000179617422 822513765 /nfs/dbraw/zinc/51/37/65/822513765.db2.gz RMSVWBAVVDAOAF-ZDUSSCGKSA-N 0 3 388.210 4.404 20 30 GIEDHN C[C@@H]1CCCN(CCNC(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000046862278 822525114 /nfs/dbraw/zinc/52/51/14/822525114.db2.gz PNAGDSMDUDWPGP-QGZVFWFLSA-N 0 3 379.529 4.171 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(Oc4cnccn4)c3)CC2)cc1 ZINC000179699980 822530112 /nfs/dbraw/zinc/53/01/12/822530112.db2.gz PMNHBEWJJSGMGF-UHFFFAOYSA-N 0 3 385.471 4.217 20 30 GIEDHN CSc1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047054232 822541025 /nfs/dbraw/zinc/54/10/25/822541025.db2.gz SZEBEVTVNOAZAT-KRWDZBQOSA-N 0 3 396.560 4.115 20 30 GIEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961447 822563693 /nfs/dbraw/zinc/56/36/93/822563693.db2.gz ZOGHGQDZYJFUJC-AVRDEDQJSA-N 0 3 375.516 4.079 20 30 GIEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000179981443 822590057 /nfs/dbraw/zinc/59/00/57/822590057.db2.gz YYTGWDSNCVSCQC-CQSZACIVSA-N 0 3 392.242 4.137 20 30 GIEDHN Cc1ccc([C@H](CNC(=O)Nc2ccccc2O[C@@H](C)C#N)N2CCCC2)cc1 ZINC000180038733 822602456 /nfs/dbraw/zinc/60/24/56/822602456.db2.gz DOCQRTQVGKPGPH-RXVVDRJESA-N 0 3 392.503 4.245 20 30 GIEDHN COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)cc1Cl ZINC000180074644 822610170 /nfs/dbraw/zinc/61/01/70/822610170.db2.gz PTUCXKNIFWBCIK-UHFFFAOYSA-N 0 3 385.895 4.305 20 30 GIEDHN CC(C)NC(=O)Nc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828978 822685218 /nfs/dbraw/zinc/68/52/18/822685218.db2.gz UKVPDFOIWLDVGS-CQSZACIVSA-N 0 3 390.365 4.120 20 30 GIEDHN N#CC(C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC1CCCCC1 ZINC000050680012 822735916 /nfs/dbraw/zinc/73/59/16/822735916.db2.gz NCHCDYQLFKLRKL-SFHVURJKSA-N 0 3 382.435 4.176 20 30 GIEDHN N#CC(C(=O)C=Cc1ccc2c(c1)OCO2)c1nc2ccccc2n1C(F)F ZINC000051655369 822771821 /nfs/dbraw/zinc/77/18/21/822771821.db2.gz WYCVBSMDVKUUJL-VUDGCMKMSA-N 0 3 381.338 4.050 20 30 GIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358887 822777592 /nfs/dbraw/zinc/77/75/92/822777592.db2.gz BJUJMSMQBDDCGA-KUHUBIRLSA-N 0 3 385.414 4.006 20 30 GIEDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000174365268 822778614 /nfs/dbraw/zinc/77/86/14/822778614.db2.gz GJTCYCQXEMDBPZ-UHFFFAOYSA-N 0 3 393.535 4.243 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000174366457 822778650 /nfs/dbraw/zinc/77/86/50/822778650.db2.gz YPDFPYSDVOLUQQ-ZWKOTPCHSA-N 0 3 394.544 4.188 20 30 GIEDHN C=CCC[C@@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083848 822850142 /nfs/dbraw/zinc/85/01/42/822850142.db2.gz ZKKIRHHXDUYHSU-VLIAUNLRSA-N 0 3 379.472 4.402 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)CC1 ZINC000175060357 822875541 /nfs/dbraw/zinc/87/55/41/822875541.db2.gz YGOAWXQIBNXFQL-UHFFFAOYSA-N 0 3 395.507 4.084 20 30 GIEDHN COc1cc(C(C)=O)ccc1OCCCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000054736036 822909091 /nfs/dbraw/zinc/90/90/91/822909091.db2.gz MHXRAOLEILGIBZ-MRXNPFEDSA-N 0 3 392.411 4.074 20 30 GIEDHN CC1CCN([C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2cccs2)CC1 ZINC000187208428 823025099 /nfs/dbraw/zinc/02/50/99/823025099.db2.gz FOJQUQOZKSYYGJ-FQEVSTJZSA-N 0 3 393.556 4.241 20 30 GIEDHN C=CCc1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc(OC)c1O ZINC000123899505 823549983 /nfs/dbraw/zinc/54/99/83/823549983.db2.gz DHHZWKRMXZXDFF-UHFFFAOYSA-N 0 3 377.488 4.385 20 30 GIEDHN C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@H]1CCN(C2CC2)C1 ZINC000460963579 823551809 /nfs/dbraw/zinc/55/18/09/823551809.db2.gz YTWAFYLQRHKAEI-IBGZPJMESA-N 0 3 397.592 4.128 20 30 GIEDHN Cc1ccc(CNCc2cccc(OCCCC#N)c2)c(-n2cc(Cl)cn2)n1 ZINC000190313421 823561748 /nfs/dbraw/zinc/56/17/48/823561748.db2.gz SECGLRIVQVRENZ-UHFFFAOYSA-N 0 3 395.894 4.202 20 30 GIEDHN COc1ccc2oc([C@H](C)NCCC(=O)Nc3ccccc3C#N)c(C)c2c1 ZINC000411520957 823584076 /nfs/dbraw/zinc/58/40/76/823584076.db2.gz RWFNPJVXXGZKMX-HNNXBMFYSA-N 0 3 377.444 4.301 20 30 GIEDHN CC(C)c1ccc(SCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000061574469 823604817 /nfs/dbraw/zinc/60/48/17/823604817.db2.gz BZLMWIIZIANQSU-UHFFFAOYSA-N 0 3 395.572 4.364 20 30 GIEDHN COc1cc([C@H](C)NCc2cc(C#N)n(C)c2)ccc1OCc1ccccc1 ZINC000190796913 823610139 /nfs/dbraw/zinc/61/01/39/823610139.db2.gz NXWMLUNUYWOWJE-KRWDZBQOSA-N 0 3 375.472 4.335 20 30 GIEDHN C[C@H](N[C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000124768897 823624664 /nfs/dbraw/zinc/62/46/64/823624664.db2.gz FMOJLWPAFAQGNC-RRQGHBQHSA-N 0 3 385.405 4.172 20 30 GIEDHN N#CC(C(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc(C(F)(F)F)cn1 ZINC000125126841 823653388 /nfs/dbraw/zinc/65/33/88/823653388.db2.gz YLZAITMBVHSXEH-OAHLLOKOSA-N 0 3 390.752 4.430 20 30 GIEDHN N#CC(C(=O)CSc1cccc2cccc(Cl)c21)C(=O)Nc1ccccn1 ZINC000125173978 823656799 /nfs/dbraw/zinc/65/67/99/823656799.db2.gz HEEGWFKBUVDSEJ-CQSZACIVSA-N 0 3 395.871 4.328 20 30 GIEDHN CC1CCN([C@@H](CNC(=O)Nc2ccc(CC#N)cc2)c2cccs2)CC1 ZINC000125317370 823667370 /nfs/dbraw/zinc/66/73/70/823667370.db2.gz DUFQEKFSBKGSLC-IBGZPJMESA-N 0 3 382.533 4.409 20 30 GIEDHN N#Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc[nH]2)sc2c1CCCCC2 ZINC000125345597 823669690 /nfs/dbraw/zinc/66/96/90/823669690.db2.gz JFNUPFVSONDTEQ-GOSISDBHSA-N 0 3 382.533 4.382 20 30 GIEDHN C=C(Cl)COc1ccc([C@@H](C)NCc2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000125849578 823728285 /nfs/dbraw/zinc/72/82/85/823728285.db2.gz ZSXLGOQHDHLPHX-MRXNPFEDSA-N 0 3 393.936 4.213 20 30 GIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000574674884 823797380 /nfs/dbraw/zinc/79/73/80/823797380.db2.gz AWRKSGZPXJIFFK-UHFFFAOYSA-N 0 3 399.494 4.459 20 30 GIEDHN N#Cc1ccc(CNCc2ccc(Cn3ccccc3=O)cc2)c(C(F)(F)F)c1 ZINC000574679722 823799300 /nfs/dbraw/zinc/79/93/00/823799300.db2.gz LIHQMRUGEQJKNV-UHFFFAOYSA-N 0 3 397.400 4.077 20 30 GIEDHN CC(C)(C)OC(=O)N(CC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C1CC1 ZINC000126273077 823826051 /nfs/dbraw/zinc/82/60/51/823826051.db2.gz RXYIXVZTDJUBSC-INIZCTEOSA-N 0 3 397.500 4.386 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cccc(OC(C)C)n2)cc1 ZINC000167803101 823895631 /nfs/dbraw/zinc/89/56/31/823895631.db2.gz PSVARHLZLIEKCT-SFHVURJKSA-N 0 3 379.460 4.173 20 30 GIEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1ccc(F)c(F)c1 ZINC000126583771 823905591 /nfs/dbraw/zinc/90/55/91/823905591.db2.gz DQTXQXBHMIISFD-LBPRGKRZSA-N 0 3 382.338 4.241 20 30 GIEDHN C=C(C)COc1cc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000127133060 824023669 /nfs/dbraw/zinc/02/36/69/824023669.db2.gz FWDFCECFXPZTNV-SFHVURJKSA-N 0 3 392.503 4.424 20 30 GIEDHN N#Cc1ccc2c(c1)CCCC[C@H]2NCc1ccnc(OC2CCOCC2)c1 ZINC000575909931 824026931 /nfs/dbraw/zinc/02/69/31/824026931.db2.gz IROUNUYHMPMJCQ-JOCHJYFZSA-N 0 3 377.488 4.068 20 30 GIEDHN N#Cc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726931 720471577 /nfs/dbraw/zinc/47/15/77/720471577.db2.gz MZSHKVDKWJONAI-RTWAWAEBSA-N 0 3 389.890 4.008 20 30 GIEDHN N#Cc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc2ccc(Cl)cc12 ZINC001164726918 720472612 /nfs/dbraw/zinc/47/26/12/720472612.db2.gz MZSHKVDKWJONAI-LEWJYISDSA-N 0 3 389.890 4.008 20 30 GIEDHN CSc1ccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)N(C)C)cc1 ZINC000458580585 823059273 /nfs/dbraw/zinc/05/92/73/823059273.db2.gz OCUVOKJQVFUTFE-SFTDATJTSA-N 0 3 396.560 4.355 20 30 GIEDHN C[C@@H]1Cc2cc(-c3ccc(CNCc4cnc5ccc(C#N)cn45)cc3)ccc2O1 ZINC000120784194 823063521 /nfs/dbraw/zinc/06/35/21/823063521.db2.gz FQPWPQUWPGQAQG-QGZVFWFLSA-N 0 3 394.478 4.486 20 30 GIEDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187666251 823109344 /nfs/dbraw/zinc/10/93/44/823109344.db2.gz RUBIDXONUDGCAG-ICSRJNTNSA-N 0 3 376.504 4.461 20 30 GIEDHN CCOc1cccc2cc([C@@H](C)NCCC(=O)Nc3sccc3C#N)oc21 ZINC000176076845 823113650 /nfs/dbraw/zinc/11/36/50/823113650.db2.gz KIVSACGDDWNNCG-CYBMUJFWSA-N 0 3 383.473 4.444 20 30 GIEDHN C=CCOc1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OC ZINC000121166088 823130959 /nfs/dbraw/zinc/13/09/59/823130959.db2.gz XHDIUDNKKAPRNB-HSZRJFAPSA-N 0 3 381.472 4.272 20 30 GIEDHN CC(C)CCSCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000121251526 823148097 /nfs/dbraw/zinc/14/80/97/823148097.db2.gz KKQNFALZOBTSDV-AWEZNQCLSA-N 0 3 386.489 4.428 20 30 GIEDHN COc1cc(C#N)ccc1CN1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000121356534 823169716 /nfs/dbraw/zinc/16/97/16/823169716.db2.gz RGCWATLGPHWBAG-GOSISDBHSA-N 0 3 392.434 4.136 20 30 GIEDHN COc1cc(C#N)ccc1CN1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000121356355 823169736 /nfs/dbraw/zinc/16/97/36/823169736.db2.gz RGCWATLGPHWBAG-SFHVURJKSA-N 0 3 392.434 4.136 20 30 GIEDHN COc1cc(CNCc2cn(C3CCCC3)nc2-c2ccccn2)ccc1C#N ZINC000459566748 823221672 /nfs/dbraw/zinc/22/16/72/823221672.db2.gz SLUZDYMRFZQPDZ-UHFFFAOYSA-N 0 3 387.487 4.230 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)c1ccc(CC)cc1 ZINC000121730499 823238697 /nfs/dbraw/zinc/23/86/97/823238697.db2.gz CBWZXCHFFDHDGW-VQIMIIECSA-N 0 3 378.472 4.489 20 30 GIEDHN CCN1CC[C@H](NCC#Cc2ccc(F)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571862683 823247331 /nfs/dbraw/zinc/24/73/31/823247331.db2.gz HPJQFCZWYVEEHO-PZJWPPBQSA-N 0 3 376.397 4.020 20 30 GIEDHN CC(C)(CC#N)CNCc1cc(Br)ccc1OCc1ccccn1 ZINC000459692708 823251805 /nfs/dbraw/zinc/25/18/05/823251805.db2.gz MSSPZEAJYONJFS-UHFFFAOYSA-N 0 3 388.309 4.453 20 30 GIEDHN COc1ccc([C@@H](C)NCc2ccc(C#N)c(OC)c2)cc1Br ZINC000572083264 823280635 /nfs/dbraw/zinc/28/06/35/823280635.db2.gz ILSNWTBGRWWWOT-GFCCVEGCSA-N 0 3 375.266 4.189 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 ZINC000122182413 823317969 /nfs/dbraw/zinc/31/79/69/823317969.db2.gz NVHRUKWWATWVOZ-IBGZPJMESA-N 0 3 385.467 4.291 20 30 GIEDHN C[C@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000122291577 823333407 /nfs/dbraw/zinc/33/34/07/823333407.db2.gz JDLANOUZHAIFFP-SMDDNHRTSA-N 0 3 389.908 4.191 20 30 GIEDHN C=CCN1CCC(NC(=O)N[C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000460270105 823336060 /nfs/dbraw/zinc/33/60/60/823336060.db2.gz TVKLOGFDKVLTMW-SFHVURJKSA-N 0 3 382.335 4.394 20 30 GIEDHN Cc1cccc(CNC2CCN(c3ccc(C#N)cc3)CC2)c1Br ZINC000572489159 823348280 /nfs/dbraw/zinc/34/82/80/823348280.db2.gz GQAUEVSIJSPUKW-UHFFFAOYSA-N 0 3 384.321 4.388 20 30 GIEDHN CN(C)c1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccc2n1 ZINC000122895404 823430281 /nfs/dbraw/zinc/43/02/81/823430281.db2.gz KYHDIEGOBKKBAD-OAHLLOKOSA-N 0 3 384.361 4.205 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@H]2CCC[C@H](C)C2)c1C#N ZINC000026472715 820101463 /nfs/dbraw/zinc/10/14/63/820101463.db2.gz QJEBMEXKLBDPED-YJBOKZPZSA-N 0 3 382.508 4.067 20 30 GIEDHN COc1ccc([C@H](CCC#N)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000573193512 823463889 /nfs/dbraw/zinc/46/38/89/823463889.db2.gz ZRRKWGAYHSBIMR-QFIPXVFZSA-N 0 3 378.451 4.197 20 30 GIEDHN C#CCN1CCC(C(=O)Nc2ccccc2OCc2cccc(Cl)c2)CC1 ZINC000123467067 823511980 /nfs/dbraw/zinc/51/19/80/823511980.db2.gz NNYBSMMRUGIWID-UHFFFAOYSA-N 0 3 382.891 4.203 20 30 GIEDHN C=CCOc1ccc(CN(Cc2cc(=O)n3ccsc3n2)C(C)(C)C)cc1 ZINC000177847468 823535700 /nfs/dbraw/zinc/53/57/00/823535700.db2.gz XMJNNAXNKQXQIX-UHFFFAOYSA-N 0 3 383.517 4.122 20 30 GIEDHN COc1ccc([C@@H](C)NCc2ccc(OCC#N)cc2)cc1Br ZINC000177863660 823538095 /nfs/dbraw/zinc/53/80/95/823538095.db2.gz WIRGEYPWOCTHPE-CYBMUJFWSA-N 0 3 375.266 4.211 20 30 GIEDHN CCC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000043712163 821444396 /nfs/dbraw/zinc/44/43/96/821444396.db2.gz BUHJICNFYUTOFC-QFIPXVFZSA-N 0 3 378.520 4.173 20 30 GIEDHN C[C@H](N[C@@H](C)c1ccc(-c2ccncc2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000180893957 821520573 /nfs/dbraw/zinc/52/05/73/821520573.db2.gz WRBZYPKDYFVMNI-ROUUACIJSA-N 0 3 376.504 4.130 20 30 GIEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180893979 821520656 /nfs/dbraw/zinc/52/06/56/821520656.db2.gz WRBZYPKDYFVMNI-MSOLQXFVSA-N 0 3 376.504 4.130 20 30 GIEDHN CCC[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663373 821930583 /nfs/dbraw/zinc/93/05/83/821930583.db2.gz QKTXRKZJHPHHFM-OXJNMPFZSA-N 0 3 397.544 4.055 20 30 GIEDHN CC(C)C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181798787 821996850 /nfs/dbraw/zinc/99/68/50/821996850.db2.gz MPGBVBWCMSXKKF-NRFANRHFSA-N 0 3 387.487 4.059 20 30 GIEDHN CC[C@H](NCC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(OC)cc1 ZINC000181823575 822007257 /nfs/dbraw/zinc/00/72/57/822007257.db2.gz BNAMXSAVOVDZTC-NRFANRHFSA-N 0 3 379.504 4.300 20 30 GIEDHN N#Cc1ccc(CN2CCC(NCc3csc(-c4ccco4)n3)CC2)cc1 ZINC000181910269 822034622 /nfs/dbraw/zinc/03/46/22/822034622.db2.gz HQTWMKDUULZSOC-UHFFFAOYSA-N 0 3 378.501 4.029 20 30 GIEDHN C[C@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(OCC#N)cc1 ZINC000182058017 822076747 /nfs/dbraw/zinc/07/67/47/822076747.db2.gz IJVOFIQRHRUWQQ-SFHVURJKSA-N 0 3 380.488 4.135 20 30 GIEDHN COc1ccc(OC(F)F)c(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182799021 822369397 /nfs/dbraw/zinc/36/93/97/822369397.db2.gz MVIFKNAAQSFIER-UHFFFAOYSA-N 0 3 387.430 4.245 20 30 GIEDHN C=CCSc1ccccc1NC(=O)CN[C@H](C)c1ccccc1-n1cccn1 ZINC000183132363 822428611 /nfs/dbraw/zinc/42/86/11/822428611.db2.gz WRGXOKXPJZZPCG-QGZVFWFLSA-N 0 3 392.528 4.440 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000179105664 822438739 /nfs/dbraw/zinc/43/87/39/822438739.db2.gz ZGWWZQORHSLEOR-VGSWGCGISA-N 0 3 377.488 4.071 20 30 GIEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000454386950 822466898 /nfs/dbraw/zinc/46/68/98/822466898.db2.gz QMCGMNGXSDWRCA-IBGZPJMESA-N 0 3 381.545 4.142 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000179982709 822590374 /nfs/dbraw/zinc/59/03/74/822590374.db2.gz YTSYZWNZLONTJQ-YWZLYKJASA-N 0 3 379.460 4.343 20 30 GIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001381 822593317 /nfs/dbraw/zinc/59/33/17/822593317.db2.gz MTFACXWJHSLBCC-JPYJTQIMSA-N 0 3 388.515 4.005 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNCc3ccnc(N4CCCC4)c3)c2)c1 ZINC000047700973 822600976 /nfs/dbraw/zinc/60/09/76/822600976.db2.gz PEGLOHGMOAEHNK-UHFFFAOYSA-N 0 3 398.510 4.422 20 30 GIEDHN Cn1cc(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c(-c2ccc(C#N)cc2)n1 ZINC000180068015 822608519 /nfs/dbraw/zinc/60/85/19/822608519.db2.gz XECITVITSPEFHA-FQEVSTJZSA-N 0 3 386.455 4.025 20 30 GIEDHN N#Cc1ccc([C@@H](O)CN[C@@H](COc2ccccc2F)c2ccccc2)cc1 ZINC000180327918 822664260 /nfs/dbraw/zinc/66/42/60/822664260.db2.gz RENJLTMRQXWMQE-VXKWHMMOSA-N 0 3 376.431 4.141 20 30 GIEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000180402819 822676181 /nfs/dbraw/zinc/67/61/81/822676181.db2.gz BEDYDQWYSHWFFD-CYBMUJFWSA-N 0 3 398.488 4.086 20 30 GIEDHN C[C@@H](N[C@H](C)c1ccc(OCC#N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000180542980 822699323 /nfs/dbraw/zinc/69/93/23/822699323.db2.gz VWLBYMQCICDQIH-HZPDHXFCSA-N 0 3 378.476 4.285 20 30 GIEDHN CCc1ccc([C@H](CNC(=O)Nc2ccc(CC#N)cc2Cl)N(C)C)cc1 ZINC000455755813 822720335 /nfs/dbraw/zinc/72/03/35/822720335.db2.gz RPCCWHSFPDVMMH-FQEVSTJZSA-N 0 3 384.911 4.393 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CNCc2ccc3c(c2)COC(C)(C)O3)ccc1OC ZINC000186383172 822885482 /nfs/dbraw/zinc/88/54/82/822885482.db2.gz FRZBHMJGPTUSJL-IBGZPJMESA-N 0 3 396.487 4.311 20 30 GIEDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)NC1(c2cccc(C#N)c2)CC1 ZINC000569598320 822943338 /nfs/dbraw/zinc/94/33/38/822943338.db2.gz OQRCNRZDEUJXJJ-CQSZACIVSA-N 0 3 398.304 4.317 20 30 GIEDHN CN1CCC(N(Cc2ccccc2)C(=O)c2cccc(SCC#N)c2)CC1 ZINC000175703961 823023868 /nfs/dbraw/zinc/02/38/68/823023868.db2.gz LNAUFVWAJBXNEN-UHFFFAOYSA-N 0 3 379.529 4.039 20 30 GIEDHN CCCCc1ccc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000060576007 823544003 /nfs/dbraw/zinc/54/40/03/823544003.db2.gz DTDNZMSPMWCCPX-UHFFFAOYSA-N 0 3 377.532 4.034 20 30 GIEDHN Cc1nc(NC(=O)c2cccc(CN3CCCCC3)c2)sc1SCC#N ZINC000411459077 823577181 /nfs/dbraw/zinc/57/71/81/823577181.db2.gz PFMQUMNJPIIOTK-UHFFFAOYSA-N 0 3 386.546 4.305 20 30 GIEDHN C=CCN(CCc1ccccc1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061198984 823584096 /nfs/dbraw/zinc/58/40/96/823584096.db2.gz ZVTJBOXXVYVJHY-UHFFFAOYSA-N 0 3 391.559 4.088 20 30 GIEDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCC1(C#N)CCCCC1 ZINC000411577256 823589018 /nfs/dbraw/zinc/58/90/18/823589018.db2.gz ZIDFAUYQCFPRSU-SFHVURJKSA-N 0 3 389.565 4.083 20 30 GIEDHN COc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc12 ZINC000190614143 823591734 /nfs/dbraw/zinc/59/17/34/823591734.db2.gz HILNVYRKEFMWJY-HXOBKFHXSA-N 0 3 399.494 4.172 20 30 GIEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc2ccccc2s1 ZINC000190623167 823592770 /nfs/dbraw/zinc/59/27/70/823592770.db2.gz IHNAACNWVRRQQH-HNAYVOBHSA-N 0 3 375.497 4.225 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CC1 ZINC000124650628 823614256 /nfs/dbraw/zinc/61/42/56/823614256.db2.gz RINDTWBTFIAJBS-INIZCTEOSA-N 0 3 378.586 4.318 20 30 GIEDHN N#CC(C(=O)c1cccc(-c2noc(C3CC3)n2)c1)c1cnc2ccccc2n1 ZINC000190915125 823623679 /nfs/dbraw/zinc/62/36/79/823623679.db2.gz JFAPRRUQXMZJKQ-INIZCTEOSA-N 0 3 381.395 4.047 20 30 GIEDHN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125087220 823650999 /nfs/dbraw/zinc/65/09/99/823650999.db2.gz ZNQLOYSMKWTHRN-AWEZNQCLSA-N 0 3 396.859 4.128 20 30 GIEDHN CC1CCN([C@H](CNC(=O)Nc2ccc(CC#N)cc2)c2cccs2)CC1 ZINC000125317571 823667384 /nfs/dbraw/zinc/66/73/84/823667384.db2.gz DUFQEKFSBKGSLC-LJQANCHMSA-N 0 3 382.533 4.409 20 30 GIEDHN Cc1c(CN2CCSCC2)cccc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000125614584 823690167 /nfs/dbraw/zinc/69/01/67/823690167.db2.gz CVPXPIBULKFVFF-KRWDZBQOSA-N 0 3 381.545 4.447 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COCCc2ccccc2)cc1 ZINC000126276349 823827190 /nfs/dbraw/zinc/82/71/90/823827190.db2.gz APUHNELGVHABIZ-LAUBAEHRSA-N 0 3 378.472 4.107 20 30 GIEDHN C[C@@H](C(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C)c1cccc(C#N)c1 ZINC000462210886 823873793 /nfs/dbraw/zinc/87/37/93/823873793.db2.gz GZILZWKDHOGPCM-WZONZLPQSA-N 0 3 389.543 4.251 20 30 GIEDHN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H](C)c2ccccc2F)cc1Cl ZINC000170672945 823933268 /nfs/dbraw/zinc/93/32/68/823933268.db2.gz JIJXTOZHSDPENN-SWLSCSKDSA-N 0 3 388.826 4.329 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccc3ccccc3c2)c1 ZINC000127115202 824020477 /nfs/dbraw/zinc/02/04/77/824020477.db2.gz DHIKEYFEVQXDBQ-FQEVSTJZSA-N 0 3 390.464 4.288 20 30 GIEDHN N#Cc1nc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)cc1Cl ZINC001164623335 719109296 /nfs/dbraw/zinc/10/92/96/719109296.db2.gz CMLJLMRSZFIYQS-DNVCBOLYSA-N 0 3 387.314 4.361 20 30 GIEDHN C=CCN1C(=O)CC[C@@]12CCCN(C(C)(C)c1ccnc(Cl)c1)[C@H]2CC ZINC001164702708 719824779 /nfs/dbraw/zinc/82/47/79/719824779.db2.gz SZVDAEKDDWSHSK-LAUBAEHRSA-N 0 3 375.944 4.392 20 30 GIEDHN N#Cc1ccc2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164993697 722197649 /nfs/dbraw/zinc/19/76/49/722197649.db2.gz HXMNHZJUMBYWLR-DEOSSOPVSA-N 0 3 386.474 4.490 20 30 GIEDHN N#Cc1ccccc1Cn1cccc1CNCc1ccc(-n2ccnc2)c(F)c1 ZINC000187716207 823119177 /nfs/dbraw/zinc/11/91/77/823119177.db2.gz SKHSFAKMYIDLAD-UHFFFAOYSA-N 0 3 385.446 4.023 20 30 GIEDHN N#Cc1csc(CN[C@@H](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000571191743 823146524 /nfs/dbraw/zinc/14/65/24/823146524.db2.gz ZZWYBRBMXQDJKZ-OAHLLOKOSA-N 0 3 376.323 4.278 20 30 GIEDHN N#Cc1csc(CN[C@H](Cc2cccc(Br)c2)CC2CC2)n1 ZINC000571191742 823146536 /nfs/dbraw/zinc/14/65/36/823146536.db2.gz ZZWYBRBMXQDJKZ-HNNXBMFYSA-N 0 3 376.323 4.278 20 30 GIEDHN CC(C)CCSCC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000121251412 823148064 /nfs/dbraw/zinc/14/80/64/823148064.db2.gz KKQNFALZOBTSDV-CQSZACIVSA-N 0 3 386.489 4.428 20 30 GIEDHN CN(CCOc1ccccc1F)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000121514298 823197932 /nfs/dbraw/zinc/19/79/32/823197932.db2.gz PQLMJFRYIFXQNU-UHFFFAOYSA-N 0 3 378.451 4.114 20 30 GIEDHN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(NC(C)=O)cc3)n2)cc1 ZINC000121858547 823264346 /nfs/dbraw/zinc/26/43/46/823264346.db2.gz WGFOWNBOKIFKHF-GOSISDBHSA-N 0 3 391.452 4.267 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000188648482 823279954 /nfs/dbraw/zinc/27/99/54/823279954.db2.gz BBIWCDMMHHSTBR-SNVBAGLBSA-N 0 3 381.848 4.168 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2ccnn2Cc2ccc(C(C)C)cc2)CC1 ZINC000460124365 823289459 /nfs/dbraw/zinc/28/94/59/823289459.db2.gz QFQMZBYKYOLKNA-UHFFFAOYSA-N 0 3 395.551 4.217 20 30 GIEDHN C=C(C)COc1cc(CNCc2cccc(Cn3cccn3)c2)ccc1OC ZINC000057965907 823351365 /nfs/dbraw/zinc/35/13/65/823351365.db2.gz UNLMSKWJOGFRSW-UHFFFAOYSA-N 0 3 377.488 4.185 20 30 GIEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000027208131 820209719 /nfs/dbraw/zinc/20/97/19/820209719.db2.gz TWAZZLRAPFGDTE-OAQYLSRUSA-N 0 3 388.467 4.222 20 30 GIEDHN C=CCc1cc(CN2CCC(c3ncc4n3CCCC4)CC2)cc(OC)c1O ZINC000573204644 823465267 /nfs/dbraw/zinc/46/52/67/823465267.db2.gz FROGAUBXNRKHDQ-UHFFFAOYSA-N 0 3 381.520 4.042 20 30 GIEDHN COc1ccc([C@@H](CCC#N)NCCc2ccn(-c3ccc(F)cc3)n2)cc1 ZINC000573193511 823463842 /nfs/dbraw/zinc/46/38/42/823463842.db2.gz ZRRKWGAYHSBIMR-JOCHJYFZSA-N 0 3 378.451 4.197 20 30 GIEDHN C=CCCc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000410364268 823475469 /nfs/dbraw/zinc/47/54/69/823475469.db2.gz IGPVBWFKRXULKF-UHFFFAOYSA-N 0 3 377.532 4.346 20 30 GIEDHN N#Cc1c2c(sc1NC(=O)CCN(Cc1ccccn1)C1CC1)CCCCC2 ZINC000177507610 823478963 /nfs/dbraw/zinc/47/89/63/823478963.db2.gz BVCFIRRBBLBCTG-UHFFFAOYSA-N 0 3 394.544 4.277 20 30 GIEDHN C[C@@H]1Cc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c2[C@@H](C)C1 ZINC000411009499 823532787 /nfs/dbraw/zinc/53/27/87/823532787.db2.gz JPZFXVBOVLYOQE-ZQIUZPCESA-N 0 3 388.496 4.498 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1cccc(Cl)c1 ZINC000041494405 821198253 /nfs/dbraw/zinc/19/82/53/821198253.db2.gz CENMTIUYINTTSM-HNNXBMFYSA-N 0 3 375.819 4.201 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000043231985 821378396 /nfs/dbraw/zinc/37/83/96/821378396.db2.gz ZVVXMNKSQWRXDR-KRWDZBQOSA-N 0 3 375.563 4.344 20 30 GIEDHN C[C@@](C#N)(NC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1)C1CC1 ZINC000180771848 821446081 /nfs/dbraw/zinc/44/60/81/821446081.db2.gz UMKGUNKIZZEINU-IRLDBZIGSA-N 0 3 381.907 4.022 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(N3CCCCC3)c(F)c2)CC1 ZINC000181012817 821593292 /nfs/dbraw/zinc/59/32/92/821593292.db2.gz ABPZLKPJSFCARF-UHFFFAOYSA-N 0 3 392.494 4.117 20 30 GIEDHN COc1ccc(NC(=O)C[C@@H](C)NCC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000181215015 821702279 /nfs/dbraw/zinc/70/22/79/821702279.db2.gz NESOSYMOHUTYLO-OAHLLOKOSA-N 0 3 390.405 4.072 20 30 GIEDHN CCC[C@H](N[C@H](C)c1ccc(OCC#N)cc1)C(=O)N1CCc2sccc2C1 ZINC000181663391 821930435 /nfs/dbraw/zinc/93/04/35/821930435.db2.gz QKTXRKZJHPHHFM-UZLBHIALSA-N 0 3 397.544 4.055 20 30 GIEDHN CC[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809708 822001553 /nfs/dbraw/zinc/00/15/53/822001553.db2.gz FCMBAKXIUBSRMY-IERDGZPVSA-N 0 3 383.467 4.210 20 30 GIEDHN CC[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809669 822001870 /nfs/dbraw/zinc/00/18/70/822001870.db2.gz FCMBAKXIUBSRMY-KKSFZXQISA-N 0 3 383.467 4.210 20 30 GIEDHN CC(C)C[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872893 822022250 /nfs/dbraw/zinc/02/22/50/822022250.db2.gz MVSNGMBGDRKVRQ-IEBWSBKVSA-N 0 3 381.442 4.191 20 30 GIEDHN CC(C)(C)[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181966993 822048166 /nfs/dbraw/zinc/04/81/66/822048166.db2.gz PFRZHNKPKXHXBD-HKUYNNGSSA-N 0 3 381.442 4.191 20 30 GIEDHN Cc1cc(C)n(-c2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000182875788 822383992 /nfs/dbraw/zinc/38/39/92/822383992.db2.gz WVXDKTSXQJWQMS-UHFFFAOYSA-N 0 3 385.515 4.437 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CC1 ZINC000179226377 822453737 /nfs/dbraw/zinc/45/37/37/822453737.db2.gz LYPABGADLHBMSB-UHFFFAOYSA-N 0 3 395.890 4.384 20 30 GIEDHN COc1ccc([C@@H](N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000179686994 822527448 /nfs/dbraw/zinc/52/74/48/822527448.db2.gz WZMSWHJIIKHIAB-XCLFUZPHSA-N 0 3 395.528 4.185 20 30 GIEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccnc(OC3CCCCC3)c2)c1 ZINC000179793471 822554227 /nfs/dbraw/zinc/55/42/27/822554227.db2.gz ZEBYLLQDHGSDNH-IBGZPJMESA-N 0 3 377.444 4.063 20 30 GIEDHN Cn1cc(CNCc2cc(F)cc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180098280 822614841 /nfs/dbraw/zinc/61/48/41/822614841.db2.gz BICLMVNTQSDWRW-UHFFFAOYSA-N 0 3 399.267 4.150 20 30 GIEDHN Cn1cc(CNCc2cccc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180154960 822628359 /nfs/dbraw/zinc/62/83/59/822628359.db2.gz UJPAWMRKZHIHOA-UHFFFAOYSA-N 0 3 381.277 4.011 20 30 GIEDHN Cc1cccc(NC2CCN(Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000180190393 822636004 /nfs/dbraw/zinc/63/60/04/822636004.db2.gz HLWAPCLYZFZQAL-UHFFFAOYSA-N 0 3 385.515 4.344 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2ccc3ccccc3n2)cnn1-c1ccc(F)cc1F ZINC000048856048 822686434 /nfs/dbraw/zinc/68/64/34/822686434.db2.gz QQDDHUZWAFXIOJ-INIZCTEOSA-N 0 3 388.377 4.497 20 30 GIEDHN N#Cc1ccc2ncc(CN3CCCCC[C@H]3C[C@H](O)c3cccs3)n2c1 ZINC000180508794 822693457 /nfs/dbraw/zinc/69/34/57/822693457.db2.gz PYPXNQOKDISVTA-HKUYNNGSSA-N 0 3 380.517 4.136 20 30 GIEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000455699874 822705997 /nfs/dbraw/zinc/70/59/97/822705997.db2.gz HZBZHUVZJOIPKC-UHFFFAOYSA-N 0 3 388.874 4.141 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000456329588 822798930 /nfs/dbraw/zinc/79/89/30/822798930.db2.gz IQEQGQHBUMKOIP-NFBKMPQASA-N 0 3 375.516 4.054 20 30 GIEDHN C[C@H](c1ccncc1)N1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000569113245 822881079 /nfs/dbraw/zinc/88/10/79/822881079.db2.gz WHAHCJLQUOGREA-OAHLLOKOSA-N 0 3 391.906 4.214 20 30 GIEDHN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1ccc(C#N)cn1 ZINC000569136655 822882960 /nfs/dbraw/zinc/88/29/60/822882960.db2.gz DMZRNVNBGLSEAE-UHFFFAOYSA-N 0 3 377.467 4.327 20 30 GIEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cs1 ZINC000175111240 822884334 /nfs/dbraw/zinc/88/43/34/822884334.db2.gz LETKKTDLUCYUCQ-CYBMUJFWSA-N 0 3 396.299 4.429 20 30 GIEDHN CN(C)CCN(Cc1ccsc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000458226719 822971137 /nfs/dbraw/zinc/97/11/37/822971137.db2.gz RIIKSGDMWWSMGE-UHFFFAOYSA-N 0 3 394.544 4.211 20 30 GIEDHN CC[C@H](C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)N(CC)CC ZINC000460978832 823555017 /nfs/dbraw/zinc/55/50/17/823555017.db2.gz KRPJUVXETRWDLF-JOCHJYFZSA-N 0 3 379.504 4.391 20 30 GIEDHN C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(F)c(F)c1 ZINC000411438083 823574173 /nfs/dbraw/zinc/57/41/73/823574173.db2.gz MHJQRCVEWTVUBP-NSHDSACASA-N 0 3 375.444 4.066 20 30 GIEDHN C=CCN(Cc1ccccc1F)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061189207 823583019 /nfs/dbraw/zinc/58/30/19/823583019.db2.gz KDFMNGWBDDFITJ-UHFFFAOYSA-N 0 3 395.522 4.185 20 30 GIEDHN N#CC(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1cnc2ccccc2n1 ZINC000190954453 823629884 /nfs/dbraw/zinc/62/98/84/823629884.db2.gz JHSNHSKUYDZUJU-INIZCTEOSA-N 0 3 398.447 4.434 20 30 GIEDHN N#CC(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1cnc2ccccc2n1 ZINC000191000360 823636723 /nfs/dbraw/zinc/63/67/23/823636723.db2.gz ASGGPALDXALYFQ-LJQANCHMSA-N 0 3 392.418 4.372 20 30 GIEDHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1 ZINC000191093334 823648142 /nfs/dbraw/zinc/64/81/42/823648142.db2.gz BEWIJMUVNAANGK-UHFFFAOYSA-N 0 3 394.519 4.092 20 30 GIEDHN Fc1cc(C(F)(F)F)cc(C2(CNCc3nccn3CC(F)(F)F)CC2)c1 ZINC000191101788 823649440 /nfs/dbraw/zinc/64/94/40/823649440.db2.gz SAYYUYCNZNSTPX-UHFFFAOYSA-N 0 3 395.322 4.425 20 30 GIEDHN Cc1ccc(CCCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000063594436 823681793 /nfs/dbraw/zinc/68/17/93/823681793.db2.gz POVFTXVAMFXUJT-UHFFFAOYSA-N 0 3 377.532 4.170 20 30 GIEDHN CCCOc1cc(F)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000125528304 823682892 /nfs/dbraw/zinc/68/28/92/823682892.db2.gz VZOWIIWUEWSKNA-UHFFFAOYSA-N 0 3 398.482 4.082 20 30 GIEDHN C[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919628 823754987 /nfs/dbraw/zinc/75/49/87/823754987.db2.gz GKLPBRAWMPGGKP-CVDCTZTESA-N 0 3 375.516 4.251 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(-c3cc4ccccc4o3)s2)CC1 ZINC000191801549 823772914 /nfs/dbraw/zinc/77/29/14/823772914.db2.gz FBMVCRLZUHMFQL-UHFFFAOYSA-N 0 3 397.504 4.113 20 30 GIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)cc1 ZINC000126567022 823900741 /nfs/dbraw/zinc/90/07/41/823900741.db2.gz XFFGFGOHZZDYJN-MRXNPFEDSA-N 0 3 384.911 4.046 20 30 GIEDHN C#CCCOc1ccc(CNCc2ccc(COC3CCOCC3)cc2)cc1 ZINC000126902034 823977051 /nfs/dbraw/zinc/97/70/51/823977051.db2.gz KJFQLDCZSDGLLM-UHFFFAOYSA-N 0 3 379.500 4.074 20 30 GIEDHN C=C(C)COc1cc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC ZINC000575769914 823989820 /nfs/dbraw/zinc/98/98/20/823989820.db2.gz ROWQJIVGEJZWOH-SFHVURJKSA-N 0 3 382.508 4.025 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCSc2ccc(C)c(C)c2)c1 ZINC000127128164 824022905 /nfs/dbraw/zinc/02/29/05/824022905.db2.gz HOSYDKAXKXPGLY-LJQANCHMSA-N 0 3 382.485 4.142 20 30 GIEDHN C=C(C)COc1cc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)ccc1OC ZINC000127133280 824023624 /nfs/dbraw/zinc/02/36/24/824023624.db2.gz FWDFCECFXPZTNV-GOSISDBHSA-N 0 3 392.503 4.424 20 30 GIEDHN CC1CCC(N2CCN(C(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)CC1 ZINC000458801090 823088030 /nfs/dbraw/zinc/08/80/30/823088030.db2.gz MLOVJHHJDRGSCL-VTLFHKLASA-N 0 3 382.552 4.327 20 30 GIEDHN N#CCCC[C@H](NC(=O)N1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000458803293 823088507 /nfs/dbraw/zinc/08/85/07/823088507.db2.gz QXMXUIRZGGBEAH-QHCPKHFHSA-N 0 3 390.531 4.339 20 30 GIEDHN CCOc1cccc2cc([C@H](C)NCCC(=O)Nc3sccc3C#N)oc21 ZINC000176076858 823113631 /nfs/dbraw/zinc/11/36/31/823113631.db2.gz KIVSACGDDWNNCG-ZDUSSCGKSA-N 0 3 383.473 4.444 20 30 GIEDHN C=C(C)[C@H](NCCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000187782856 823131892 /nfs/dbraw/zinc/13/18/92/823131892.db2.gz TZADVPSPZNBAIW-FQEVSTJZSA-N 0 3 395.471 4.044 20 30 GIEDHN Cc1coc2ccc(NC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc12 ZINC000188019215 823172817 /nfs/dbraw/zinc/17/28/17/823172817.db2.gz BEQFDVOHGWOIPD-UHFFFAOYSA-N 0 3 376.460 4.209 20 30 GIEDHN Cc1oc(-c2ccccc2F)nc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000121686442 823230609 /nfs/dbraw/zinc/23/06/09/823230609.db2.gz IMKQPCMVZIYXGF-MRXNPFEDSA-N 0 3 377.375 4.059 20 30 GIEDHN COc1cc(CNCC(C)(C)CC#N)cc(Br)c1OC(F)F ZINC000459706165 823254275 /nfs/dbraw/zinc/25/42/75/823254275.db2.gz YRYCTRAVPAVYQJ-UHFFFAOYSA-N 0 3 377.229 4.089 20 30 GIEDHN COc1cc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1Cl ZINC000459745671 823259516 /nfs/dbraw/zinc/25/95/16/823259516.db2.gz GZTBEIHRBWRDKN-UHFFFAOYSA-N 0 3 385.895 4.305 20 30 GIEDHN CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(C#N)ccc2Cl)N(C)C)cc1 ZINC000572197228 823297947 /nfs/dbraw/zinc/29/79/47/823297947.db2.gz XMIOJQHKWYIDAY-HXUWFJFHSA-N 0 3 385.895 4.032 20 30 GIEDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000122292210 823333302 /nfs/dbraw/zinc/33/33/02/823333302.db2.gz JDLANOUZHAIFFP-RISCZKNCSA-N 0 3 389.908 4.191 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccc(CN3CCCC3=O)cc2)ccc1OC ZINC000057965798 823351303 /nfs/dbraw/zinc/35/13/03/823351303.db2.gz ODSKXPSBIDJYDH-UHFFFAOYSA-N 0 3 394.515 4.062 20 30 GIEDHN C[C@@H](N[C@@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000122695409 823396011 /nfs/dbraw/zinc/39/60/11/823396011.db2.gz WIVGBBIQJNUILN-LSDHHAIUSA-N 0 3 397.441 4.009 20 30 GIEDHN CCCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1Cc1ccccc1 ZINC000123040151 823451724 /nfs/dbraw/zinc/45/17/24/823451724.db2.gz BZTHHIPIBRNMQV-GOSISDBHSA-N 0 3 397.482 4.261 20 30 GIEDHN C=CCN1CC[C@H](N(Cc2ccc(-c3ccccc3OC)cc2)C(C)C)C1=O ZINC000410381511 823482020 /nfs/dbraw/zinc/48/20/20/823482020.db2.gz LYWZOJNTJORHRJ-QFIPXVFZSA-N 0 3 378.516 4.360 20 30 GIEDHN CCOc1ccc(N(CCC#N)C(=O)CN(CC2CCCCC2)C2CC2)cc1 ZINC000059390920 823495051 /nfs/dbraw/zinc/49/50/51/823495051.db2.gz KRFGEVXVYQMKCD-UHFFFAOYSA-N 0 3 383.536 4.377 20 30 GIEDHN C=CCc1ccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2CC)c(OC)c1 ZINC000030537256 820635873 /nfs/dbraw/zinc/63/58/73/820635873.db2.gz LJYDRQHDPRNBPF-MJGOQNOKSA-N 0 3 387.545 4.234 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1ccc(C)c(C)c1 ZINC000177600356 823499507 /nfs/dbraw/zinc/49/95/07/823499507.db2.gz QNNUKIFMLQTKDD-IBGZPJMESA-N 0 3 394.471 4.209 20 30 GIEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000032768845 821006411 /nfs/dbraw/zinc/00/64/11/821006411.db2.gz WCLLCHHIAPGKIO-IFMALSPDSA-N 0 3 397.515 4.009 20 30 GIEDHN C[C@@H]1CCc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c2[C@@H]1C ZINC000410977675 823527405 /nfs/dbraw/zinc/52/74/05/823527405.db2.gz CGSFAMVJESMOML-CPUCHLNUSA-N 0 3 388.496 4.498 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000041494721 821198094 /nfs/dbraw/zinc/19/80/94/821198094.db2.gz NSAGPXSYZJKOKA-OAHLLOKOSA-N 0 3 375.819 4.201 20 30 GIEDHN COc1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1Br ZINC000041540413 821206792 /nfs/dbraw/zinc/20/67/92/821206792.db2.gz PFBDCXULVJSNDH-ZDUSSCGKSA-N 0 3 399.244 4.408 20 30 GIEDHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1 ZINC000180800431 821465508 /nfs/dbraw/zinc/46/55/08/821465508.db2.gz MAFKYHYLYGTNTF-HOCLYGCPSA-N 0 3 378.398 4.030 20 30 GIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)cc1 ZINC000180816720 821477348 /nfs/dbraw/zinc/47/73/48/821477348.db2.gz XBPCYILNLXDWJA-FXAWDEMLSA-N 0 3 378.472 4.239 20 30 GIEDHN C[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc(-c2ccncc2)cc1 ZINC000180899541 821523444 /nfs/dbraw/zinc/52/34/44/821523444.db2.gz YKVBMLGAUODGFU-SFHVURJKSA-N 0 3 376.504 4.084 20 30 GIEDHN CC(C)N(CCN(C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000181752638 821977362 /nfs/dbraw/zinc/97/73/62/821977362.db2.gz NLHPHLSRWOKBTQ-UHFFFAOYSA-N 0 3 394.519 4.136 20 30 GIEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OC(CC)CC)cc2)n1 ZINC000453627035 822395330 /nfs/dbraw/zinc/39/53/30/822395330.db2.gz KWKQKFKMNDQZOC-MRXNPFEDSA-N 0 3 386.473 4.377 20 30 GIEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000178705742 822404479 /nfs/dbraw/zinc/40/44/79/822404479.db2.gz HTBFTTWKZGZJHF-BDJLRTHQSA-N 0 3 376.790 4.459 20 30 GIEDHN CC1CCN([C@H](CNC(=O)N(C)Cc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000046886796 822526852 /nfs/dbraw/zinc/52/68/52/822526852.db2.gz VKZZVLXGAPTXTO-HXUWFJFHSA-N 0 3 396.560 4.234 20 30 GIEDHN COc1ccc([C@H](N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C2CC2)cc1 ZINC000179686953 822527386 /nfs/dbraw/zinc/52/73/86/822527386.db2.gz WZMSWHJIIKHIAB-RNODOKPDSA-N 0 3 395.528 4.185 20 30 GIEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(N2CCCC2)c1 ZINC000180001354 822593422 /nfs/dbraw/zinc/59/34/22/822593422.db2.gz MTFACXWJHSLBCC-WZONZLPQSA-N 0 3 388.515 4.005 20 30 GIEDHN CC[C@H]1Oc2cc([C@H](C)NCc3ccccc3C(C)(C)C#N)ccc2NC1=O ZINC000180028705 822600470 /nfs/dbraw/zinc/60/04/70/822600470.db2.gz XUNSOPCAXWMIJG-MGPUTAFESA-N 0 3 377.488 4.448 20 30 GIEDHN COc1ccc2oc([C@@H](C)NCCC(=O)Nc3sccc3C#N)c(C)c2c1 ZINC000184332084 822616799 /nfs/dbraw/zinc/61/67/99/822616799.db2.gz FIVLFJWIIYHKGH-CYBMUJFWSA-N 0 3 383.473 4.362 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1ccsc1 ZINC000048228555 822647078 /nfs/dbraw/zinc/64/70/78/822647078.db2.gz DRPHPJWJEDPABM-IBGZPJMESA-N 0 3 387.574 4.052 20 30 GIEDHN Cc1n[nH]c(C)c1[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000180524540 822696045 /nfs/dbraw/zinc/69/60/45/822696045.db2.gz QOHZOJQSTOWTMC-KRWDZBQOSA-N 0 3 397.548 4.004 20 30 GIEDHN C=CCN1CCC(NC(=O)N2CCC(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000180538661 822698711 /nfs/dbraw/zinc/69/87/11/822698711.db2.gz OGMIJMKQXGCKMC-UHFFFAOYSA-N 0 3 395.469 4.245 20 30 GIEDHN N#CC(C(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000050205236 822721689 /nfs/dbraw/zinc/72/16/89/822721689.db2.gz QLTAXHHRQYXVCM-CYBMUJFWSA-N 0 3 390.752 4.430 20 30 GIEDHN COc1ccc(CNCc2ccc(Cn3cnc4ccccc43)cc2)cc1C#N ZINC000174324364 822771029 /nfs/dbraw/zinc/77/10/29/822771029.db2.gz VXBBGNQBJVZBGE-UHFFFAOYSA-N 0 3 382.467 4.255 20 30 GIEDHN COc1cc(CNCc2ccc(OC)c(OCCCC#N)c2)c2ccccc2n1 ZINC000174582262 822808171 /nfs/dbraw/zinc/80/81/71/822808171.db2.gz MREHEKGNHHTUQK-UHFFFAOYSA-N 0 3 391.471 4.224 20 30 GIEDHN C=CCC[C@H](C)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083833 822850132 /nfs/dbraw/zinc/85/01/32/822850132.db2.gz ZKKIRHHXDUYHSU-XOBRGWDASA-N 0 3 379.472 4.402 20 30 GIEDHN C=CC[C@H](C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)c1ccccc1 ZINC000186181384 822858626 /nfs/dbraw/zinc/85/86/26/822858626.db2.gz DKXCKPFPOCSZER-QFIPXVFZSA-N 0 3 377.532 4.435 20 30 GIEDHN N#Cc1ccc(NC(=O)CCN2CC=C(c3ccc(O)cc3)CC2)cc1Cl ZINC000054429195 822884538 /nfs/dbraw/zinc/88/45/38/822884538.db2.gz ZDXXHTBZJLCUEQ-UHFFFAOYSA-N 0 3 381.863 4.035 20 30 GIEDHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000054727014 822907992 /nfs/dbraw/zinc/90/79/92/822907992.db2.gz LEKJWJPZMDQDHM-WMZOPIPTSA-N 0 3 380.492 4.080 20 30 GIEDHN C=CCN1CCC(NC(=O)C2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000186688249 822937688 /nfs/dbraw/zinc/93/76/88/822937688.db2.gz QHVKHGOYXBRFPO-UHFFFAOYSA-N 0 3 386.845 4.157 20 30 GIEDHN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(CCC#N)CC1 ZINC000570280754 823022074 /nfs/dbraw/zinc/02/20/74/823022074.db2.gz KZOOQNJKHYXHPQ-UHFFFAOYSA-N 0 3 387.325 4.459 20 30 GIEDHN N#CCSc1cccc(C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000175703421 823023682 /nfs/dbraw/zinc/02/36/82/823023682.db2.gz FZSQEJRTTKOORF-UHFFFAOYSA-N 0 3 397.569 4.146 20 30 GIEDHN CCCCSCCC(=O)C(C#N)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000124011899 823559912 /nfs/dbraw/zinc/55/99/12/823559912.db2.gz LYHCKEVYWYUOOP-CYBMUJFWSA-N 0 3 382.913 4.228 20 30 GIEDHN C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000411427737 823573011 /nfs/dbraw/zinc/57/30/11/823573011.db2.gz UKGAQJKUVJNFGM-CABCVRRESA-N 0 3 382.533 4.161 20 30 GIEDHN C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000062473419 823636906 /nfs/dbraw/zinc/63/69/06/823636906.db2.gz DLXGDGRVWMUJJR-QHCPKHFHSA-N 0 3 377.532 4.264 20 30 GIEDHN Cc1cc2occ(CC(=O)C(C#N)C(=O)Nc3ccccn3)c2cc1C(C)C ZINC000125129543 823653834 /nfs/dbraw/zinc/65/38/34/823653834.db2.gz PCYGUBVFYIECMX-GOSISDBHSA-N 0 3 375.428 4.150 20 30 GIEDHN CC1(C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)CC2(CCCC2)O1 ZINC000191225551 823660852 /nfs/dbraw/zinc/66/08/52/823660852.db2.gz BEOGVGDFHOVACV-UHFFFAOYSA-N 0 3 378.520 4.387 20 30 GIEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccsc1)N(CC)CC ZINC000063401838 823668327 /nfs/dbraw/zinc/66/83/27/823668327.db2.gz ABRPOYRDBGWAMQ-NRFANRHFSA-N 0 3 396.560 4.400 20 30 GIEDHN C[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461739954 823690050 /nfs/dbraw/zinc/69/00/50/823690050.db2.gz ZFFHOKVUGPORLY-XLIONFOSSA-N 0 3 381.545 4.313 20 30 GIEDHN CC(C)Cc1ccc([C@@H](CNC(=O)c2c(F)cc(C#N)cc2F)N(C)C)cc1 ZINC000574717450 823807959 /nfs/dbraw/zinc/80/79/59/823807959.db2.gz LJMRABRILOHBRP-HXUWFJFHSA-N 0 3 385.458 4.068 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175787 823854586 /nfs/dbraw/zinc/85/45/86/823854586.db2.gz AIYOHTHWIFTSCM-CLOONOSVSA-N 0 3 395.506 4.476 20 30 GIEDHN C[C@@H](Oc1ccccc1)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126569359 823901668 /nfs/dbraw/zinc/90/16/68/823901668.db2.gz FWESNZMMZRZZSK-MLGOLLRUSA-N 0 3 390.411 4.116 20 30 GIEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(-c4ccccc4)s3)C2=O)cc1 ZINC000192244943 823914813 /nfs/dbraw/zinc/91/48/13/823914813.db2.gz GEHRSCVXBNLYGA-NRFANRHFSA-N 0 3 387.508 4.177 20 30 GIEDHN N#Cc1csc(CNc2ccc(NC(=O)CN3CCCCCCC3)cc2)c1 ZINC000126917375 823979999 /nfs/dbraw/zinc/97/99/99/823979999.db2.gz BBHMKMWJSHWNRZ-UHFFFAOYSA-N 0 3 382.533 4.436 20 30 GIEDHN C[C@H]1Cc2cc(-c3ccc(CNCc4cnc5ccc(C#N)cn45)cc3)ccc2O1 ZINC000120784353 823063503 /nfs/dbraw/zinc/06/35/03/823063503.db2.gz FQPWPQUWPGQAQG-KRWDZBQOSA-N 0 3 394.478 4.486 20 30 GIEDHN COc1ccc([C@@H](CN(C)C)NC(=O)N[C@H](CCCC#N)c2ccccc2)cc1 ZINC000458843488 823096441 /nfs/dbraw/zinc/09/64/41/823096441.db2.gz PPAANHOJZAJJDG-FGZHOGPDSA-N 0 3 394.519 4.032 20 30 GIEDHN CNC(=O)c1ccc(CN(C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000121173298 823131972 /nfs/dbraw/zinc/13/19/72/823131972.db2.gz OLFAKLIFQLQVIC-UHFFFAOYSA-N 0 3 399.494 4.129 20 30 GIEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1F ZINC000121567156 823207258 /nfs/dbraw/zinc/20/72/58/823207258.db2.gz MCUXHYTZBYBSDJ-NSHDSACASA-N 0 3 381.190 4.102 20 30 GIEDHN N#CCc1ccc(OC[C@@H](O)CN2CC3(CCCC3)[C@@H]2c2ccccc2)cc1 ZINC000459566661 823221539 /nfs/dbraw/zinc/22/15/39/823221539.db2.gz HTGUAWXGLFRFAV-GMAHTHKFSA-N 0 3 376.500 4.110 20 30 GIEDHN C=C(C)COc1cc(CN2CCC[C@H](c3nnc4ccccn43)C2)ccc1OC ZINC000121790637 823252061 /nfs/dbraw/zinc/25/20/61/823252061.db2.gz DNDBUAOTTSQEHG-IBGZPJMESA-N 0 3 392.503 4.072 20 30 GIEDHN C=C(C)COc1cc(CNCc2ccccc2Cn2ccnc2)ccc1OC ZINC000057961254 823350787 /nfs/dbraw/zinc/35/07/87/823350787.db2.gz TUQWRCPPBGRHPB-UHFFFAOYSA-N 0 3 377.488 4.185 20 30 GIEDHN CCN(CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)[C@@H]1CCOC(C)(C)C1 ZINC000572890855 823414883 /nfs/dbraw/zinc/41/48/83/823414883.db2.gz OHLMEABAGFZZPS-GOSISDBHSA-N 0 3 391.943 4.175 20 30 GIEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H]1c1ccc(OC)cc1OC ZINC000025301328 819958236 /nfs/dbraw/zinc/95/82/36/819958236.db2.gz NGNAENPJOFQXAP-KNQAVFIVSA-N 0 3 397.515 4.009 20 30 GIEDHN N#Cc1ccc(F)c(CN2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000025438754 819980115 /nfs/dbraw/zinc/98/01/15/819980115.db2.gz BKSNRVHORPOLEH-UHFFFAOYSA-N 0 3 391.412 4.424 20 30 GIEDHN CCN(C[C@@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1)CC(F)(F)F ZINC000177367481 823446748 /nfs/dbraw/zinc/44/67/48/823446748.db2.gz NBFRIOVCPFZESK-INIZCTEOSA-N 0 3 392.387 4.263 20 30 GIEDHN CCN(C[C@H]1CCN(CC#Cc2ccc(C(F)(F)F)cc2)C1)CC(F)(F)F ZINC000177367498 823446769 /nfs/dbraw/zinc/44/67/69/823446769.db2.gz NBFRIOVCPFZESK-MRXNPFEDSA-N 0 3 392.387 4.263 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cccc(Br)c1 ZINC000123448989 823510026 /nfs/dbraw/zinc/51/00/26/823510026.db2.gz FJASMDDMXBLNTJ-OAHLLOKOSA-N 0 3 382.261 4.145 20 30 GIEDHN CC(C)(C)OC(=O)Nc1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000041496046 821199252 /nfs/dbraw/zinc/19/92/52/821199252.db2.gz ZCCIDXKUNLZGGT-OAHLLOKOSA-N 0 3 376.416 4.400 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@H]2CSCCc3ccccc32)ccc1OC ZINC000180817338 821477962 /nfs/dbraw/zinc/47/79/62/821477962.db2.gz OPKQAJRMWUAUJC-QUCCMNQESA-N 0 3 382.529 4.496 20 30 GIEDHN C=CCN1CCC(NC(=O)c2nc(-c3ccc(Cl)c(Cl)c3)oc2C)CC1 ZINC000180942876 821549688 /nfs/dbraw/zinc/54/96/88/821549688.db2.gz BTERAEKNKJCZNE-UHFFFAOYSA-N 0 3 394.302 4.337 20 30 GIEDHN COc1ccccc1COC1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000181551787 821878169 /nfs/dbraw/zinc/87/81/69/821878169.db2.gz WXPZVURFYXBXFB-GOSISDBHSA-N 0 3 380.488 4.167 20 30 GIEDHN COc1ccc(NC(=O)C[C@H](C)N[C@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573064 821884984 /nfs/dbraw/zinc/88/49/84/821884984.db2.gz DJAVWYLOVRIEDP-QFBILLFUSA-N 0 3 381.476 4.056 20 30 GIEDHN CC[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000181809689 822001813 /nfs/dbraw/zinc/00/18/13/822001813.db2.gz FCMBAKXIUBSRMY-HRAATJIYSA-N 0 3 383.467 4.210 20 30 GIEDHN C=C(C)COc1cc(CNCc2cn(C)nc2-c2ccccc2)ccc1OC ZINC000181826012 822008353 /nfs/dbraw/zinc/00/83/53/822008353.db2.gz XZBRYXQYLPEGPA-UHFFFAOYSA-N 0 3 377.488 4.340 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(OCC#N)cc2)ccc1OC ZINC000181955916 822045410 /nfs/dbraw/zinc/04/54/10/822045410.db2.gz MKIOXXNJODGNCG-APWZRJJASA-N 0 3 379.460 4.129 20 30 GIEDHN C[C@@H](NCc1ccc(COC2CCOCC2)cc1)c1ccc(OCC#N)cc1 ZINC000182058035 822077031 /nfs/dbraw/zinc/07/70/31/822077031.db2.gz IJVOFIQRHRUWQQ-GOSISDBHSA-N 0 3 380.488 4.135 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3cccc(OC[C@@H]4CCCO4)c3)CC2)cc1 ZINC000182133489 822110409 /nfs/dbraw/zinc/11/04/09/822110409.db2.gz ZNDWLLRIPADFOG-DEOSSOPVSA-N 0 3 391.515 4.193 20 30 GIEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000046041183 822437801 /nfs/dbraw/zinc/43/78/01/822437801.db2.gz LHZPEIOKNQKFDS-OAQYLSRUSA-N 0 3 398.938 4.436 20 30 GIEDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961450 822563687 /nfs/dbraw/zinc/56/36/87/822563687.db2.gz ZOGHGQDZYJFUJC-XMSQKQJNSA-N 0 3 375.516 4.079 20 30 GIEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000179969638 822587793 /nfs/dbraw/zinc/58/77/93/822587793.db2.gz POEPJSDBJKRRAY-IFXJQAMLSA-N 0 3 385.414 4.006 20 30 GIEDHN CN1CC[C@@H](NC(=O)c2ccccc2-c2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000180113201 822617816 /nfs/dbraw/zinc/61/78/16/822617816.db2.gz XKHFPKZJXFNZGJ-RPWUZVMVSA-N 0 3 381.479 4.400 20 30 GIEDHN Cc1ccc([C@@H](C)NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000180281016 822654280 /nfs/dbraw/zinc/65/42/80/822654280.db2.gz FKTNAIVKXVVFNQ-OAHLLOKOSA-N 0 3 375.432 4.026 20 30 GIEDHN N#CCc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000455705945 822708128 /nfs/dbraw/zinc/70/81/28/822708128.db2.gz PIAJGBIDWIRRMO-GOSISDBHSA-N 0 3 382.895 4.192 20 30 GIEDHN C=CCOc1ccc(CN(Cc2cc(-c3cnn(C)c3)no2)C(C)(C)C)cc1 ZINC000185025065 822726632 /nfs/dbraw/zinc/72/66/32/822726632.db2.gz AEXYMQCNPJGPQN-UHFFFAOYSA-N 0 3 380.492 4.441 20 30 GIEDHN N#CC(C(=O)CCc1ccc(-c2ccccc2F)o1)C(=O)NC1CCCCC1 ZINC000050680009 822735965 /nfs/dbraw/zinc/73/59/65/822735965.db2.gz NCHCDYQLFKLRKL-GOSISDBHSA-N 0 3 382.435 4.176 20 30 GIEDHN COc1cc(CN[C@@H](C)c2cccc(C#N)c2)cc(Br)c1OC ZINC000174430359 822789086 /nfs/dbraw/zinc/78/90/86/822789086.db2.gz YFEHJXJLFCHMER-LBPRGKRZSA-N 0 3 375.266 4.189 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000456308061 822796818 /nfs/dbraw/zinc/79/68/18/822796818.db2.gz ONMXGGKDOZNYFM-HXUWFJFHSA-N 0 3 389.543 4.107 20 30 GIEDHN CN(C)Cc1ccccc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000052666558 822806953 /nfs/dbraw/zinc/80/69/53/822806953.db2.gz UGXFOKKYHOEJKT-UHFFFAOYSA-N 0 3 375.428 4.044 20 30 GIEDHN N#CCc1cccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000456739547 822828453 /nfs/dbraw/zinc/82/84/53/822828453.db2.gz VOECCNSXMHHUQA-FQEVSTJZSA-N 0 3 387.405 4.146 20 30 GIEDHN C=C[C@@](C)(CC)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119224 822855124 /nfs/dbraw/zinc/85/51/24/822855124.db2.gz RAMOOUFTBBDVOD-QFIPXVFZSA-N 0 3 389.971 4.055 20 30 GIEDHN C=C[C@](C)(CC)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119222 822855140 /nfs/dbraw/zinc/85/51/40/822855140.db2.gz RAMOOUFTBBDVOD-JOCHJYFZSA-N 0 3 389.971 4.055 20 30 GIEDHN C[C@@H](c1ccncc1)N1CCC(Nc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000569113241 822881010 /nfs/dbraw/zinc/88/10/10/822881010.db2.gz WHAHCJLQUOGREA-HNNXBMFYSA-N 0 3 391.906 4.214 20 30 GIEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000186388720 822886324 /nfs/dbraw/zinc/88/63/24/822886324.db2.gz OQCWFQBCGFAMAI-SCTDSRPQSA-N 0 3 389.565 4.060 20 30 GIEDHN C=CCN1CCC(NC(=O)N(Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000175766524 823034863 /nfs/dbraw/zinc/03/48/63/823034863.db2.gz CXIGZZSNQJJNGZ-UHFFFAOYSA-N 0 3 377.479 4.069 20 30 GIEDHN CC[C@H](C)c1ccccc1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000060575956 823543963 /nfs/dbraw/zinc/54/39/63/823543963.db2.gz VAKHZTFYKKBUNI-IBGZPJMESA-N 0 3 393.531 4.041 20 30 GIEDHN C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(CN3CCCCC3)c2)cc1 ZINC000411272430 823561536 /nfs/dbraw/zinc/56/15/36/823561536.db2.gz MLMQQGOLRFGXON-UHFFFAOYSA-N 0 3 392.503 4.232 20 30 GIEDHN Cc1cccnc1[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000411385011 823568421 /nfs/dbraw/zinc/56/84/21/823568421.db2.gz WLMIXUKRZNAWBR-IBGZPJMESA-N 0 3 382.533 4.127 20 30 GIEDHN Cc1ccc([C@@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000411471529 823578750 /nfs/dbraw/zinc/57/87/50/823578750.db2.gz FIYOUUZKMZANSL-CYBMUJFWSA-N 0 3 386.839 4.108 20 30 GIEDHN Cn1cc(CNCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1C#N ZINC000190734650 823603392 /nfs/dbraw/zinc/60/33/92/823603392.db2.gz CXGOWTGOSDURBO-UHFFFAOYSA-N 0 3 381.483 4.098 20 30 GIEDHN COc1ccc(CN2CCC([C@@H](O)c3ccccc3)CC2)cc1OCCCC#N ZINC000124622727 823611991 /nfs/dbraw/zinc/61/19/91/823611991.db2.gz UWTRDKAXUYEACO-DEOSSOPVSA-N 0 3 394.515 4.323 20 30 GIEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000411999614 823619938 /nfs/dbraw/zinc/61/99/38/823619938.db2.gz NBVCPLSQXQZHKQ-ISKFKSNPSA-N 0 3 393.527 4.009 20 30 GIEDHN CC(C)CCC1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)CC1 ZINC000124788292 823626269 /nfs/dbraw/zinc/62/62/69/823626269.db2.gz NBUJCOMBOIAURL-IBGZPJMESA-N 0 3 376.504 4.372 20 30 GIEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000062375517 823630652 /nfs/dbraw/zinc/63/06/52/823630652.db2.gz MAFFTWCGCJYLDK-UHFFFAOYSA-N 0 3 392.837 4.086 20 30 GIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000062502091 823638954 /nfs/dbraw/zinc/63/89/54/823638954.db2.gz AMKKVBMIQYGSGG-MRXNPFEDSA-N 0 3 384.911 4.046 20 30 GIEDHN CC(C)(C)[C@@H]1CCc2sc(C(=O)C(C#N)C(=O)Nc3ccccn3)cc2C1 ZINC000125108117 823652211 /nfs/dbraw/zinc/65/22/11/823652211.db2.gz QDMYHSDINXHIRT-HUUCEWRRSA-N 0 3 381.501 4.255 20 30 GIEDHN CN(CCC#N)c1ccc(CNc2cccc(CN3CCSCC3)c2)cc1 ZINC000125249300 823662232 /nfs/dbraw/zinc/66/22/32/823662232.db2.gz AKCURBOLNDMLLO-UHFFFAOYSA-N 0 3 380.561 4.197 20 30 GIEDHN C=CCN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC)cc1 ZINC000063549554 823678861 /nfs/dbraw/zinc/67/88/61/823678861.db2.gz QWPNEKJJZCNHQT-UHFFFAOYSA-N 0 3 395.528 4.134 20 30 GIEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000063750340 823693528 /nfs/dbraw/zinc/69/35/28/823693528.db2.gz PBNVNNGVPDBTBK-UHFFFAOYSA-N 0 3 387.483 4.492 20 30 GIEDHN N#CCCCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000163472499 823713097 /nfs/dbraw/zinc/71/30/97/823713097.db2.gz KUTJAGSLPUBGSA-UHFFFAOYSA-N 0 3 377.532 4.104 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C#N)c1ccc(C(F)(F)F)cc1 ZINC000461953695 823769947 /nfs/dbraw/zinc/76/99/47/823769947.db2.gz AYDVAEOFBZTRBR-BPQIPLTHSA-N 0 3 396.457 4.080 20 30 GIEDHN COc1ccc(CNCc2ccc3c(c2)CCCN3C)cc1OCCCC#N ZINC000064614605 823852862 /nfs/dbraw/zinc/85/28/62/823852862.db2.gz WOAMCRXOVSPDCB-UHFFFAOYSA-N 0 3 379.504 4.050 20 30 GIEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2nc(-c3ccsc3)oc2C)cc1 ZINC000170709737 823950703 /nfs/dbraw/zinc/95/07/03/823950703.db2.gz AVLSQASFCMGOIT-QGZVFWFLSA-N 0 3 393.468 4.164 20 30 GIEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1OC ZINC000575769913 823989863 /nfs/dbraw/zinc/98/98/63/823989863.db2.gz ROWQJIVGEJZWOH-GOSISDBHSA-N 0 3 382.508 4.025 20 30 GIEDHN CC(C)C1(c2ccccc2)CN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000414533423 824003327 /nfs/dbraw/zinc/00/33/27/824003327.db2.gz IIKOLEOZCNCBJB-UHFFFAOYSA-N 0 3 385.515 4.268 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccc(OC(F)F)cc3)s2)CC1 ZINC000170946151 824011069 /nfs/dbraw/zinc/01/10/69/824011069.db2.gz WWJYMTVLZVVPLP-UHFFFAOYSA-N 0 3 392.471 4.397 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2sc(-c3cccs3)nc2C)c1 ZINC000127078310 824012846 /nfs/dbraw/zinc/01/28/46/824012846.db2.gz YSDAYIBMRQQPIH-CQSZACIVSA-N 0 3 397.481 4.150 20 30 GIEDHN CCSc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000171036670 824044152 /nfs/dbraw/zinc/04/41/52/824044152.db2.gz XHXQOUALVNTOAO-GFCCVEGCSA-N 0 3 394.283 4.462 20 30 GIEDHN N#Cc1nc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)cc1Cl ZINC001164623333 719108678 /nfs/dbraw/zinc/10/86/78/719108678.db2.gz CMLJLMRSZFIYQS-BEFAXECRSA-N 0 3 387.314 4.361 20 30 GIEDHN C[C@@H]1C[C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)CN1Cc1ccccc1 ZINC000458574298 823058251 /nfs/dbraw/zinc/05/82/51/823058251.db2.gz XFWMCSUKYUFFEK-PTUXOGIPSA-N 0 3 390.531 4.384 20 30 GIEDHN CSc1ccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)N(C)C)cc1 ZINC000458580584 823059182 /nfs/dbraw/zinc/05/91/82/823059182.db2.gz OCUVOKJQVFUTFE-RTWAWAEBSA-N 0 3 396.560 4.355 20 30 GIEDHN CN(C)Cc1ccc(-c2noc(-c3cnn(CCC#N)c3-c3ccccc3)n2)cc1 ZINC000570737226 823079027 /nfs/dbraw/zinc/07/90/27/823079027.db2.gz DIKFQMBQEZJSHQ-UHFFFAOYSA-N 0 3 398.470 4.242 20 30 GIEDHN CN(C(=O)N[C@@H](CCCC#N)c1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000458799966 823087582 /nfs/dbraw/zinc/08/75/82/823087582.db2.gz KSVHJLRAYZUSIK-GOTSBHOMSA-N 0 3 390.531 4.337 20 30 GIEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458802100 823087926 /nfs/dbraw/zinc/08/79/26/823087926.db2.gz OTKNARXIEIDNTJ-JOCHJYFZSA-N 0 3 396.510 4.334 20 30 GIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2ccccn2)cc1 ZINC000571360071 823170744 /nfs/dbraw/zinc/17/07/44/823170744.db2.gz YYYDHUQAUCDAKU-UHFFFAOYSA-N 0 3 387.483 4.181 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ccc(Br)cc1 ZINC000176517398 823227195 /nfs/dbraw/zinc/22/71/95/823227195.db2.gz JMRUJZSLKYREON-HNNXBMFYSA-N 0 3 382.261 4.145 20 30 GIEDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(CC#N)cc1Cl ZINC000459600924 823227809 /nfs/dbraw/zinc/22/78/09/823227809.db2.gz BAONSDSGTZOMAA-UHFFFAOYSA-N 0 3 376.913 4.063 20 30 GIEDHN COc1ccc([C@H](CCC#N)NC[C@H](c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000571787773 823234457 /nfs/dbraw/zinc/23/44/57/823234457.db2.gz CGUMBKFZQHFABP-BJKOFHAPSA-N 0 3 393.531 4.012 20 30 GIEDHN N#CC(C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000122222129 823323541 /nfs/dbraw/zinc/32/35/41/823323541.db2.gz DUOQXQNQEPXCMD-MELADBBJSA-N 0 3 385.345 4.441 20 30 GIEDHN C=C(C)COc1cc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)ccc1OC ZINC000057967798 823351221 /nfs/dbraw/zinc/35/12/21/823351221.db2.gz PUAAILPHGFDHRI-QGZVFWFLSA-N 0 3 396.487 4.458 20 30 GIEDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)N2CCCCC2)cc1 ZINC000022344220 818795012 /nfs/dbraw/zinc/79/50/12/818795012.db2.gz MMWCRJPHVXOLDF-OAQYLSRUSA-N 0 3 380.448 4.114 20 30 GIEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(C(=O)N3CCCC3)cc2)c([O-])c1 ZINC000025197878 819942094 /nfs/dbraw/zinc/94/20/94/819942094.db2.gz WRKULZLHFPWYMA-JJIBRWJFSA-N 0 3 379.504 4.094 20 30 GIEDHN N#Cc1ccc(CNCCOc2cccc(C(F)(F)F)n2)c(C(F)(F)F)c1 ZINC000573170141 823459524 /nfs/dbraw/zinc/45/95/24/823459524.db2.gz JFCMQTRGSXUKEH-UHFFFAOYSA-N 0 3 389.299 4.159 20 30 GIEDHN C[C@@H]1CCc2sc(NC(=O)C(C#N)Cc3ccc(C#N)cc3)c(C#N)c2[C@H]1C ZINC000410977679 823527415 /nfs/dbraw/zinc/52/74/15/823527415.db2.gz CGSFAMVJESMOML-JKIFEVAISA-N 0 3 388.496 4.498 20 30 GIEDHN Cc1ccc(C(=O)CCC(=O)CCC(=O)C(C#N)c2nc3ccccc3o2)s1 ZINC000041539797 821206808 /nfs/dbraw/zinc/20/68/08/821206808.db2.gz BSBNFTXHIFIPPS-HNNXBMFYSA-N 0 3 394.452 4.386 20 30 GIEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181012050 821592154 /nfs/dbraw/zinc/59/21/54/821592154.db2.gz ALCBHPIGOPFHPU-LLVKDONJSA-N 0 3 383.181 4.162 20 30 GIEDHN COc1ccc(OC)c(NC(=O)C[C@H](C)N[C@@H](CCC#N)c2ccccc2)c1 ZINC000181574300 821885692 /nfs/dbraw/zinc/88/56/92/821885692.db2.gz JOEBTLLIRNUDMF-LPHOPBHVSA-N 0 3 381.476 4.056 20 30 GIEDHN Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCN(C)C)C(C)C ZINC000181861013 822019273 /nfs/dbraw/zinc/01/92/73/822019273.db2.gz DZTMUCUGFUJKEJ-UHFFFAOYSA-N 0 3 394.519 4.250 20 30 GIEDHN Cc1oc(NC(=O)[C@H](C)N[C@@H](C)c2cccc(N3CCCC3)c2)c(C#N)c1C ZINC000181887453 822027214 /nfs/dbraw/zinc/02/72/14/822027214.db2.gz OLEDWVLDUQIILV-HOTGVXAUSA-N 0 3 380.492 4.046 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)cc2C(C)C)CC1 ZINC000179154237 822444863 /nfs/dbraw/zinc/44/48/63/822444863.db2.gz LAUNNYDXMAUWMT-UHFFFAOYSA-N 0 3 380.330 4.344 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)CC1 ZINC000183496382 822485871 /nfs/dbraw/zinc/48/58/71/822485871.db2.gz PYFGILNFNOWTOW-UHFFFAOYSA-N 0 3 381.467 4.304 20 30 GIEDHN N#CC(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1nc2ccccc2s1 ZINC000046706475 822507538 /nfs/dbraw/zinc/50/75/38/822507538.db2.gz NNAICMPRXKOBSJ-IRXDYDNUSA-N 0 3 378.453 4.344 20 30 GIEDHN C[C@H]1CCCCN1CCNC(=O)c1ccccc1Sc1ccccc1C#N ZINC000046858160 822524937 /nfs/dbraw/zinc/52/49/37/822524937.db2.gz WANGUZLJGFUXRB-KRWDZBQOSA-N 0 3 379.529 4.314 20 30 GIEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)C(C)(C)Cc2ccc(C#N)cc2)C1 ZINC000454961449 822563629 /nfs/dbraw/zinc/56/36/29/822563629.db2.gz ZOGHGQDZYJFUJC-PGRDOPGGSA-N 0 3 375.516 4.079 20 30 GIEDHN CCCN(C)[C@H](CNC(=O)N[C@H]1CC[C@@H](CC#N)C1)c1ccc(Cl)cc1 ZINC000455047170 822579687 /nfs/dbraw/zinc/57/96/87/822579687.db2.gz PIZFNMIWDUWLFF-ZYSHUDEJSA-N 0 3 376.932 4.104 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccccc1O[C@H](C)C#N)c1ccsc1 ZINC000180043867 822603336 /nfs/dbraw/zinc/60/33/36/822603336.db2.gz CGVPFGKTBHUSHT-QAPCUYQASA-N 0 3 386.521 4.244 20 30 GIEDHN Cn1cc(CNCc2cc(Br)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000180057432 822605699 /nfs/dbraw/zinc/60/56/99/822605699.db2.gz JUUHNHKNYGRSEY-UHFFFAOYSA-N 0 3 387.306 4.073 20 30 GIEDHN Cc1cc(CNCc2ccc(-c3ccccc3C#N)cc2)ccc1-n1cncn1 ZINC000180334271 822665256 /nfs/dbraw/zinc/66/52/56/822665256.db2.gz RJJBOFFJTOHMOX-UHFFFAOYSA-N 0 3 379.467 4.404 20 30 GIEDHN N#Cc1ccc2ncc(CN3CCCCC[C@@H]3C[C@@H](O)c3cccs3)n2c1 ZINC000180508814 822693511 /nfs/dbraw/zinc/69/35/11/822693511.db2.gz PYPXNQOKDISVTA-IEBWSBKVSA-N 0 3 380.517 4.136 20 30 GIEDHN N#Cc1ccc2ncc(CN3CCCCC[C@@H]3C[C@H](O)c3cccs3)n2c1 ZINC000180508833 822693533 /nfs/dbraw/zinc/69/35/33/822693533.db2.gz PYPXNQOKDISVTA-MJGOQNOKSA-N 0 3 380.517 4.136 20 30 GIEDHN N#CCOc1ccc(CN[C@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180547315 822700073 /nfs/dbraw/zinc/70/00/73/822700073.db2.gz CPJSFOQETYRBJY-SFHVURJKSA-N 0 3 387.277 4.355 20 30 GIEDHN C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051156427 822748591 /nfs/dbraw/zinc/74/85/91/822748591.db2.gz SZKROOJNFOTGDL-NHYWBVRUSA-N 0 3 399.859 4.051 20 30 GIEDHN Cn1cc(CN2CC[C@H](c3c(F)cccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000185335149 822767491 /nfs/dbraw/zinc/76/74/91/822767491.db2.gz HCXYDYSPNNLYKX-KRWDZBQOSA-N 0 3 378.426 4.226 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000456329595 822798918 /nfs/dbraw/zinc/79/89/18/822798918.db2.gz IQEQGQHBUMKOIP-OFNKIYASSA-N 0 3 375.516 4.054 20 30 GIEDHN Cc1ccc(OC2CCN(CCC(=O)Nc3sccc3C#N)CC2)cc1C ZINC000053016348 822818626 /nfs/dbraw/zinc/81/86/26/822818626.db2.gz JXPQSDHAQYURKB-UHFFFAOYSA-N 0 3 383.517 4.109 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cccc(F)c1F ZINC000053050485 822819879 /nfs/dbraw/zinc/81/98/79/822819879.db2.gz DCAQLSOGEBCUIM-UHFFFAOYSA-N 0 3 378.492 4.063 20 30 GIEDHN N#CCc1cccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)c1 ZINC000456739548 822828481 /nfs/dbraw/zinc/82/84/81/822828481.db2.gz VOECCNSXMHHUQA-HXUWFJFHSA-N 0 3 387.405 4.146 20 30 GIEDHN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000054727127 822907915 /nfs/dbraw/zinc/90/79/15/822907915.db2.gz QSNJUBRFVLVYNH-FUHWJXTLSA-N 0 3 380.492 4.080 20 30 GIEDHN COc1ccc([C@H](NCC(=O)N(CCC#N)c2cccc(C)c2C)C2CC2)cc1 ZINC000175518670 822989532 /nfs/dbraw/zinc/98/95/32/822989532.db2.gz WQBVIRLZQRQIHO-XMMPIXPASA-N 0 3 391.515 4.300 20 30 GIEDHN CN(CCOCc1ccc(C#N)cc1)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000570128354 823008463 /nfs/dbraw/zinc/00/84/63/823008463.db2.gz GAXKRZDEJXRKIL-UHFFFAOYSA-N 0 3 380.822 4.462 20 30 GIEDHN Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)c1[O-] ZINC000187326756 823043886 /nfs/dbraw/zinc/04/38/86/823043886.db2.gz ULCAXCDAINXUPM-CYBMUJFWSA-N 0 3 375.266 4.216 20 30 GIEDHN C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1cccc(O)c1 ZINC000411450821 823576054 /nfs/dbraw/zinc/57/60/54/823576054.db2.gz GRNBDRDQHIBTRJ-ZIAGYGMSSA-N 0 3 383.517 4.130 20 30 GIEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN(Cc3ccccn3)C3CC3)sc2C1 ZINC000411456831 823576850 /nfs/dbraw/zinc/57/68/50/823576850.db2.gz ZVVBGSMULKSNTK-HNNXBMFYSA-N 0 3 394.544 4.133 20 30 GIEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 ZINC000411458931 823577237 /nfs/dbraw/zinc/57/72/37/823577237.db2.gz RKKNGGPPAHBDQO-KXBFYZLASA-N 0 3 397.544 4.050 20 30 GIEDHN CCOc1cccc2cc([C@@H](C)NCCC(=O)Nc3ccccc3C#N)oc21 ZINC000411528844 823585127 /nfs/dbraw/zinc/58/51/27/823585127.db2.gz HKFWLGVOQSQHBZ-OAHLLOKOSA-N 0 3 377.444 4.383 20 30 GIEDHN C=CCc1ccccc1OC[C@@H](O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411999626 823619921 /nfs/dbraw/zinc/61/99/21/823619921.db2.gz NBVCPLSQXQZHKQ-UPVQGACJSA-N 0 3 393.527 4.009 20 30 GIEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000125077125 823650194 /nfs/dbraw/zinc/65/01/94/823650194.db2.gz ODADHOHODMNKBN-CQSZACIVSA-N 0 3 381.844 4.425 20 30 GIEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000125076949 823650277 /nfs/dbraw/zinc/65/02/77/823650277.db2.gz ODADHOHODMNKBN-AWEZNQCLSA-N 0 3 381.844 4.425 20 30 GIEDHN Cc1cc(CN2CCSCC2)ccc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000125391760 823672788 /nfs/dbraw/zinc/67/27/88/823672788.db2.gz SNNVRDPNWPQGNE-SFHVURJKSA-N 0 3 381.545 4.447 20 30 GIEDHN N#Cc1ccc(CN2CCCN(Cc3ccccc3Oc3cccnc3)CC2)cc1 ZINC000063517807 823677454 /nfs/dbraw/zinc/67/74/54/823677454.db2.gz AOUPVDIRRMXYMR-UHFFFAOYSA-N 0 3 398.510 4.453 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)NC(c2cccs2)c2cccs2)CC1 ZINC000125974797 823757878 /nfs/dbraw/zinc/75/78/78/823757878.db2.gz VMNXXRQWLXAEAB-UHFFFAOYSA-N 0 3 375.563 4.239 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175788 823854682 /nfs/dbraw/zinc/85/46/82/823854682.db2.gz AIYOHTHWIFTSCM-DFBJGRDBSA-N 0 3 395.506 4.476 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000462175790 823854736 /nfs/dbraw/zinc/85/47/36/823854736.db2.gz AIYOHTHWIFTSCM-UQBPGWFLSA-N 0 3 395.506 4.476 20 30 GIEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792730 823895711 /nfs/dbraw/zinc/89/57/11/823895711.db2.gz XNAIBURQUQDVEG-MSOLQXFVSA-N 0 3 396.506 4.211 20 30 GIEDHN N#CC(C(=O)CCCOc1cccc2ccccc21)C(=O)NCc1ccccc1 ZINC000126933264 823984391 /nfs/dbraw/zinc/98/43/91/823984391.db2.gz YQJFVFIKUAESTI-OAQYLSRUSA-N 0 3 386.451 4.024 20 30 GIEDHN C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@H](C)CN1 ZINC000414901648 824047974 /nfs/dbraw/zinc/04/79/74/824047974.db2.gz IXCXJIIYSUGOKH-SPYBWZPUSA-N 0 3 382.895 4.210 20 30 GIEDHN Cc1sc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)c(C#N)c1C ZINC000109475773 136191999 /nfs/dbraw/zinc/19/19/99/136191999.db2.gz GAHFFTWQYRGLHY-UHFFFAOYSA-N 0 3 382.533 4.019 20 30 GIEDHN N#CC1(c2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2)CCC1 ZINC001164996333 722199749 /nfs/dbraw/zinc/19/97/49/722199749.db2.gz UBXFHDVHAYJKCT-XMMPIXPASA-N 0 3 390.506 4.411 20 30 GIEDHN Cc1c(C#N)c(NC2CC(N3CCC(C(F)(F)F)CC3)C2)nc2ccccc12 ZINC000570520721 823049174 /nfs/dbraw/zinc/04/91/74/823049174.db2.gz YRPMLNHUGSSXCM-UHFFFAOYSA-N 0 3 388.437 4.054 20 30 GIEDHN CCCN(Cc1ccc(C#N)cc1)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000055903357 823064602 /nfs/dbraw/zinc/06/46/02/823064602.db2.gz RBBBFOJIDSERMD-UHFFFAOYSA-N 0 3 387.483 4.493 20 30 GIEDHN C[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000458779635 823084524 /nfs/dbraw/zinc/08/45/24/823084524.db2.gz RQENMLBOQOGAPB-BWAGFHJFSA-N 0 3 378.520 4.412 20 30 GIEDHN CN(C)CCN(Cc1cccs1)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458803788 823088725 /nfs/dbraw/zinc/08/87/25/823088725.db2.gz RMUSBFPRUWVECJ-HXUWFJFHSA-N 0 3 384.549 4.256 20 30 GIEDHN COCCOc1ccc([C@H](C)N[C@H]2CCCc3cc(C#N)ccc32)cc1OC ZINC000571391294 823176543 /nfs/dbraw/zinc/17/65/43/823176543.db2.gz YXJNNKQKFIBMQW-KKSFZXQISA-N 0 3 380.488 4.320 20 30 GIEDHN CCN1CC[C@@H](NCC#Cc2ccc(F)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571862681 823247355 /nfs/dbraw/zinc/24/73/55/823247355.db2.gz HPJQFCZWYVEEHO-CTNGQTDRSA-N 0 3 376.397 4.020 20 30 GIEDHN CCN1CC[C@H](NCC#Cc2ccc(F)cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000571862682 823247390 /nfs/dbraw/zinc/24/73/90/823247390.db2.gz HPJQFCZWYVEEHO-FPOVZHCZSA-N 0 3 376.397 4.020 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C2CCCCCC2)c1C#N ZINC000014705216 818259832 /nfs/dbraw/zinc/25/98/32/818259832.db2.gz WQPBIDACYMIFOP-UHFFFAOYSA-N 0 3 382.508 4.211 20 30 GIEDHN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)C(C#N)c1nc2ccccc2n1C ZINC000122235257 823325456 /nfs/dbraw/zinc/32/54/56/823325456.db2.gz NVKNLOJVYURZHL-INIZCTEOSA-N 0 3 398.470 4.266 20 30 GIEDHN CCCc1nnc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)o1 ZINC000122329454 823338864 /nfs/dbraw/zinc/33/88/64/823338864.db2.gz FOLQCCAVRVKBOW-ZDUSSCGKSA-N 0 3 384.486 4.114 20 30 GIEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000057942860 823349145 /nfs/dbraw/zinc/34/91/45/823349145.db2.gz WCLLCHHIAPGKIO-UNMCSNQZSA-N 0 3 397.515 4.009 20 30 GIEDHN CC(C)(C)N1CC[C@H](NCc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572538972 823357272 /nfs/dbraw/zinc/35/72/72/823357272.db2.gz PICUYBFSEALOMW-VQTJNVASSA-N 0 3 386.902 4.449 20 30 GIEDHN C#CCN1CCC(C(=O)N[C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000122825143 823419043 /nfs/dbraw/zinc/41/90/43/823419043.db2.gz DLZDOGYHXZABPM-NRFANRHFSA-N 0 3 384.882 4.030 20 30 GIEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)Cc1ccc(C#N)cc1 ZINC000410507723 823500532 /nfs/dbraw/zinc/50/05/32/823500532.db2.gz IODWXMOGGLKMHJ-HXUWFJFHSA-N 0 3 389.543 4.250 20 30 GIEDHN CN(C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 ZINC000032480439 820956530 /nfs/dbraw/zinc/95/65/30/820956530.db2.gz SUEQBRKHWNDPGE-DEOSSOPVSA-N 0 3 399.494 4.170 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H]1C[C@H]1c1ccccc1 ZINC000460872520 823533439 /nfs/dbraw/zinc/53/34/39/823533439.db2.gz ACNZRRIWMMPYRY-PMACEKPBSA-N 0 3 382.577 4.388 20 30 GIEDHN N#CC(C(=O)c1cnn(Cc2ccccc2)c1)c1nc2ccccc2n1C(F)F ZINC000041557959 821209923 /nfs/dbraw/zinc/20/99/23/821209923.db2.gz DPQDMQISIUHRQL-MRXNPFEDSA-N 0 3 391.381 4.166 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813051 821473711 /nfs/dbraw/zinc/47/37/11/821473711.db2.gz SHXGEAKUAXLARY-UTKZUKDTSA-N 0 3 390.487 4.413 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](CC)c2ccc3c(c2)OCCO3)ccc1OC ZINC000180814475 821475233 /nfs/dbraw/zinc/47/52/33/821475233.db2.gz KMGUWGFLYDVCPM-MOPGFXCFSA-N 0 3 396.487 4.388 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H]2CSCCc3ccccc32)ccc1OC ZINC000180817287 821477759 /nfs/dbraw/zinc/47/77/59/821477759.db2.gz OPKQAJRMWUAUJC-AZUAARDMSA-N 0 3 382.529 4.496 20 30 GIEDHN N#Cc1ccsc1NC(=O)CCNC1(c2ccc(F)cc2F)CCCC1 ZINC000181250349 821718347 /nfs/dbraw/zinc/71/83/47/821718347.db2.gz QVWYNXRYFGEIHE-UHFFFAOYSA-N 0 3 375.444 4.286 20 30 GIEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1 ZINC000181524826 821866867 /nfs/dbraw/zinc/86/68/67/821866867.db2.gz AUCDCXXBSHUYHN-CZUORRHYSA-N 0 3 390.833 4.022 20 30 GIEDHN N#Cc1ccc(CN2CCC(N[C@@H](c3nccs3)c3ccccc3)CC2)cc1 ZINC000181628810 821911927 /nfs/dbraw/zinc/91/19/27/821911927.db2.gz CEVAVNPFAOLPIO-JOCHJYFZSA-N 0 3 388.540 4.358 20 30 GIEDHN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000181676737 821938979 /nfs/dbraw/zinc/93/89/79/821938979.db2.gz LRXIFHJTRLATIT-IBGZPJMESA-N 0 3 397.544 4.195 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136615 822112078 /nfs/dbraw/zinc/11/20/78/822112078.db2.gz CLMXYSFSGRWPGS-FOIQADDNSA-N 0 3 381.476 4.185 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H](C)c2ccc(C)cc2)c1C#N ZINC000182334753 822205531 /nfs/dbraw/zinc/20/55/31/822205531.db2.gz XHYXUQZSYHWYPM-QGZVFWFLSA-N 0 3 390.487 4.216 20 30 GIEDHN CC(C)C(=O)Nc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182949498 822398447 /nfs/dbraw/zinc/39/84/47/822398447.db2.gz VWXJECNXKJKQQB-UHFFFAOYSA-N 0 3 376.504 4.229 20 30 GIEDHN Cc1nc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)s1 ZINC000178705782 822404470 /nfs/dbraw/zinc/40/44/70/822404470.db2.gz IELSCYNYVQZZAP-GFCCVEGCSA-N 0 3 381.429 4.036 20 30 GIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CCC(C(F)(F)F)CC1 ZINC000183032595 822414833 /nfs/dbraw/zinc/41/48/33/822414833.db2.gz GWKJWCAGMIZHCX-UHFFFAOYSA-N 0 3 395.469 4.207 20 30 GIEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(OC(F)F)c1 ZINC000183098771 822424230 /nfs/dbraw/zinc/42/42/30/822424230.db2.gz VVOIKMNNTPBDPY-KUHUBIRLSA-N 0 3 385.414 4.006 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000179105696 822438731 /nfs/dbraw/zinc/43/87/31/822438731.db2.gz ZGWWZQORHSLEOR-VGOFRKELSA-N 0 3 377.488 4.071 20 30 GIEDHN CC1CCN([C@@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000046886798 822526918 /nfs/dbraw/zinc/52/69/18/822526918.db2.gz ROPMGWJIXCHPBF-FQEVSTJZSA-N 0 3 396.560 4.234 20 30 GIEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000179794050 822554140 /nfs/dbraw/zinc/55/41/40/822554140.db2.gz BOHSTNUOKAMYFO-AWEZNQCLSA-N 0 3 399.237 4.140 20 30 GIEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)Cc1ccc(Cl)cc1 ZINC000179795310 822554344 /nfs/dbraw/zinc/55/43/44/822554344.db2.gz KEHMWTPINGLDDC-RHSMWYFYSA-N 0 3 384.863 4.265 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000179980329 822589717 /nfs/dbraw/zinc/58/97/17/822589717.db2.gz QIILQSQBCNCYTE-FQEVSTJZSA-N 0 3 379.460 4.173 20 30 GIEDHN N#Cc1ccc(CN2CCC(Nc3ccc(F)cc3OC(F)F)CC2)cc1 ZINC000180059293 822606006 /nfs/dbraw/zinc/60/60/06/822606006.db2.gz SAFSQGDZYUQLPQ-UHFFFAOYSA-N 0 3 375.394 4.375 20 30 GIEDHN COc1ccc2oc([C@H](C)NCCC(=O)Nc3sccc3C#N)c(C)c2c1 ZINC000184332107 822616770 /nfs/dbraw/zinc/61/67/70/822616770.db2.gz FIVLFJWIIYHKGH-ZDUSSCGKSA-N 0 3 383.473 4.362 20 30 GIEDHN C[C@H](NCc1ccc(OCC#N)cc1)c1ccc(I)cc1 ZINC000180556062 822701615 /nfs/dbraw/zinc/70/16/15/822701615.db2.gz OKYISGJWFFOBLN-ZDUSSCGKSA-N 0 3 392.240 4.044 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000184928336 822714632 /nfs/dbraw/zinc/71/46/32/822714632.db2.gz CZOPXDRNQKZSTP-UHFFFAOYSA-N 0 3 384.549 4.110 20 30 GIEDHN C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051156424 822748648 /nfs/dbraw/zinc/74/86/48/822748648.db2.gz SZKROOJNFOTGDL-IAQYHMDHSA-N 0 3 399.859 4.051 20 30 GIEDHN CCCN(C(=O)c1cccs1)C1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000186261764 822866474 /nfs/dbraw/zinc/86/64/74/822866474.db2.gz SDAVELLPIJRRSY-UHFFFAOYSA-N 0 3 381.545 4.445 20 30 GIEDHN CO[C@@H](C)c1nc(C)c(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)s1 ZINC000175109707 822883912 /nfs/dbraw/zinc/88/39/12/822883912.db2.gz PAUULDNATJWYLH-XJKSGUPXSA-N 0 3 393.468 4.273 20 30 GIEDHN CC(C)C[C@@H]1OCCC[C@@H]1NCC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000186388763 822886316 /nfs/dbraw/zinc/88/63/16/822886316.db2.gz OQCWFQBCGFAMAI-LNLFQRSKSA-N 0 3 389.565 4.060 20 30 GIEDHN COCCCOc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000175133913 822889299 /nfs/dbraw/zinc/88/92/99/822889299.db2.gz IRGGTYIJKHFZFZ-SFHVURJKSA-N 0 3 393.468 4.110 20 30 GIEDHN CC1CCN([C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)c2cccs2)CC1 ZINC000187208450 823025118 /nfs/dbraw/zinc/02/51/18/823025118.db2.gz FOJQUQOZKSYYGJ-HXUWFJFHSA-N 0 3 393.556 4.241 20 30 GIEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(-c4ncco4)cc3F)CC2)cc1 ZINC000411123792 823550024 /nfs/dbraw/zinc/55/00/24/823550024.db2.gz FIWBCEGFPUBZRJ-UHFFFAOYSA-N 0 3 390.462 4.060 20 30 GIEDHN C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000411427740 823572982 /nfs/dbraw/zinc/57/29/82/823572982.db2.gz UKGAQJKUVJNFGM-GJZGRUSLSA-N 0 3 382.533 4.161 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124199074 823576736 /nfs/dbraw/zinc/57/67/36/823576736.db2.gz RZDYNZFWROOLLA-HRCADAONSA-N 0 3 397.441 4.041 20 30 GIEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)F)cc1 ZINC000190609833 823591185 /nfs/dbraw/zinc/59/11/85/823591185.db2.gz NFXNVBFFJBZBBY-WOJBJXKFSA-N 0 3 399.441 4.001 20 30 GIEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(C)(C)C)cc1 ZINC000190628808 823593464 /nfs/dbraw/zinc/59/34/64/823593464.db2.gz RGBISQCOFUTGMO-VGSWGCGISA-N 0 3 391.515 4.187 20 30 GIEDHN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125271056 823663843 /nfs/dbraw/zinc/66/38/43/823663843.db2.gz STDVDBCPUMITRQ-ZYHUDNBSSA-N 0 3 394.283 4.217 20 30 GIEDHN Cc1noc([C@@H]2CCCN(CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000191459655 823687580 /nfs/dbraw/zinc/68/75/80/823687580.db2.gz QZCZRFNCHATMLC-HXUWFJFHSA-N 0 3 386.499 4.457 20 30 GIEDHN C[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919627 823754958 /nfs/dbraw/zinc/75/49/58/823754958.db2.gz GKLPBRAWMPGGKP-AUSIDOKSSA-N 0 3 375.516 4.251 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C#N)c1ccc(C(F)(F)F)cc1 ZINC000461953696 823770315 /nfs/dbraw/zinc/77/03/15/823770315.db2.gz AYDVAEOFBZTRBR-CGTJXYLNSA-N 0 3 396.457 4.080 20 30 GIEDHN COc1ccc(CNCc2ccc(OC(F)F)cc2)cc1OCCCC#N ZINC000064613651 823852294 /nfs/dbraw/zinc/85/22/94/823852294.db2.gz FEUFNLFOTCZRQZ-UHFFFAOYSA-N 0 3 376.403 4.269 20 30 GIEDHN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1cccc(N2CCCC2)c1 ZINC000126408398 823859399 /nfs/dbraw/zinc/85/93/99/823859399.db2.gz BVTFHCHUBOGGFZ-UXHICEINSA-N 0 3 390.531 4.273 20 30 GIEDHN N#CC(C(=O)Nc1ccc(SC(F)F)cc1)C(=O)c1cc(F)cc(F)c1 ZINC000126575252 823903612 /nfs/dbraw/zinc/90/36/12/823903612.db2.gz HWVXXFQOPFMBQC-CQSZACIVSA-N 0 3 382.338 4.241 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Br)c(C)cc2C)CC1 ZINC000187529706 823082660 /nfs/dbraw/zinc/08/26/60/823082660.db2.gz KHDZTSZJZFPRAY-UHFFFAOYSA-N 0 3 380.330 4.228 20 30 GIEDHN CC(C)N(Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H](O)COc1ccccc1 ZINC000571614591 823209421 /nfs/dbraw/zinc/20/94/21/823209421.db2.gz UOIOHGPMVNFWDW-GOSISDBHSA-N 0 3 392.421 4.227 20 30 GIEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F ZINC000121580564 823210355 /nfs/dbraw/zinc/21/03/55/823210355.db2.gz DMIIOGOBIDXAFE-ZDUSSCGKSA-N 0 3 381.190 4.102 20 30 GIEDHN C=CCOc1ccc(CNCc2cc(Br)c(O)c(OCC)c2)cc1 ZINC000459536112 823214541 /nfs/dbraw/zinc/21/45/41/823214541.db2.gz BBBCJDAFQIWKMM-UHFFFAOYSA-N 0 3 392.293 4.408 20 30 GIEDHN N#Cc1ccc(CN2CCCC3(CCCN(Cc4ccc(C#N)s4)C3)C2)s1 ZINC000571654890 823215289 /nfs/dbraw/zinc/21/52/89/823215289.db2.gz XXELDAIZCXGGFO-UHFFFAOYSA-N 0 3 396.585 4.431 20 30 GIEDHN C=CCOc1ccc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc1OC ZINC000459649593 823238891 /nfs/dbraw/zinc/23/88/91/823238891.db2.gz MFRNNAWDBMDACM-LJQANCHMSA-N 0 3 399.453 4.441 20 30 GIEDHN CCN1CC[C@@H](NCC#Cc2ccc(F)cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000571862684 823247417 /nfs/dbraw/zinc/24/74/17/823247417.db2.gz HPJQFCZWYVEEHO-TZIWHRDSSA-N 0 3 376.397 4.020 20 30 GIEDHN CC(C)C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccs1 ZINC000057393721 823289288 /nfs/dbraw/zinc/28/92/88/823289288.db2.gz CMMIOYQZDJWWSN-FQEVSTJZSA-N 0 3 398.576 4.480 20 30 GIEDHN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3cc(C)cc(C)c3)o2)n1 ZINC000007743870 817907023 /nfs/dbraw/zinc/90/70/23/817907023.db2.gz SUWLPWSELQGUEA-CQSZACIVSA-N 0 3 384.486 4.087 20 30 GIEDHN CC(C)(C)OC(=O)CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000122322238 823337797 /nfs/dbraw/zinc/33/77/97/823337797.db2.gz XHVZBMJJMVIZFA-AWEZNQCLSA-N 0 3 388.514 4.061 20 30 GIEDHN C=C(C)COc1cc(CNCc2cccc(Cn3ccnc3)c2)ccc1OC ZINC000057962135 823350883 /nfs/dbraw/zinc/35/08/83/823350883.db2.gz MEFPRSHKBHHWOI-UHFFFAOYSA-N 0 3 377.488 4.185 20 30 GIEDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)N2CCCCC2)cc1 ZINC000022344224 818794923 /nfs/dbraw/zinc/79/49/23/818794923.db2.gz MMWCRJPHVXOLDF-NRFANRHFSA-N 0 3 380.448 4.114 20 30 GIEDHN C[C@@H](N[C@H](C)c1ccc(OCC(F)(F)F)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000122695598 823396436 /nfs/dbraw/zinc/39/64/36/823396436.db2.gz WIVGBBIQJNUILN-HUUCEWRRSA-N 0 3 397.441 4.009 20 30 GIEDHN C=CCCCC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000572928342 823421422 /nfs/dbraw/zinc/42/14/22/823421422.db2.gz VIIIWKCNLYQMIL-UHFFFAOYSA-N 0 3 379.342 4.228 20 30 GIEDHN Cc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)c(C)c1 ZINC000026644713 820127909 /nfs/dbraw/zinc/12/79/09/820127909.db2.gz YAUBOVCXPQIEOH-UHFFFAOYSA-N 0 3 389.499 4.099 20 30 GIEDHN N#Cc1ccc2ncc(CNCc3ccccc3COCc3ccccc3)n2c1 ZINC000123290663 823491495 /nfs/dbraw/zinc/49/14/95/823491495.db2.gz YYVDYIDQUJSZAG-UHFFFAOYSA-N 0 3 382.467 4.213 20 30 GIEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000177596774 823498618 /nfs/dbraw/zinc/49/86/18/823498618.db2.gz IMYJXQUMDJHXLL-LBPRGKRZSA-N 0 3 382.413 4.033 20 30 GIEDHN N#CC(C(=O)CCCc1ccc(Br)s1)C(=O)Nc1ccccc1 ZINC000177598839 823499120 /nfs/dbraw/zinc/49/91/20/823499120.db2.gz PXTWWGCSSLWKLS-AWEZNQCLSA-N 0 3 391.290 4.181 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1ccc(C)c(C)c1 ZINC000177600371 823499428 /nfs/dbraw/zinc/49/94/28/823499428.db2.gz QNNUKIFMLQTKDD-LJQANCHMSA-N 0 3 394.471 4.209 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1cccc(Br)c1 ZINC000123448761 823509889 /nfs/dbraw/zinc/50/98/89/823509889.db2.gz FJASMDDMXBLNTJ-HNNXBMFYSA-N 0 3 382.261 4.145 20 30 GIEDHN Cc1ccc(C(=O)N[C@@H](C(=O)C(C#N)c2nc(C(C)C)cs2)C(C)C)cc1 ZINC000177743565 823519413 /nfs/dbraw/zinc/51/94/13/823519413.db2.gz GDKGDFZTURFNHY-FUHWJXTLSA-N 0 3 383.517 4.206 20 30 GIEDHN CC(C)n1nc(C(=O)C(C#N)c2nc3ccccc3s2)c2ccccc2c1=O ZINC000041504845 821200541 /nfs/dbraw/zinc/20/05/41/821200541.db2.gz SLPLJAHTBAUAJW-OAHLLOKOSA-N 0 3 388.452 4.077 20 30 GIEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OC ZINC000180813035 821473695 /nfs/dbraw/zinc/47/36/95/821473695.db2.gz SHXGEAKUAXLARY-LAUBAEHRSA-N 0 3 390.487 4.413 20 30 GIEDHN CC[C@@H](NCc1ccc(OC)c(O[C@H](C#N)CC)c1)c1ccc2c(c1)OCCO2 ZINC000180814492 821475182 /nfs/dbraw/zinc/47/51/82/821475182.db2.gz KMGUWGFLYDVCPM-RBUKOAKNSA-N 0 3 396.487 4.388 20 30 GIEDHN COc1ccc(NC(=O)C[C@H](C)N[C@@H](CCC#N)c2ccccc2)c(OC)c1 ZINC000181573023 821885225 /nfs/dbraw/zinc/88/52/25/821885225.db2.gz DJAVWYLOVRIEDP-LPHOPBHVSA-N 0 3 381.476 4.056 20 30 GIEDHN COc1ccc(OC)c(NC(=O)C[C@@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000181574344 821885819 /nfs/dbraw/zinc/88/58/19/821885819.db2.gz JOEBTLLIRNUDMF-VQIMIIECSA-N 0 3 381.476 4.056 20 30 GIEDHN CC(C)C[C@@H](NCC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181872860 822022525 /nfs/dbraw/zinc/02/25/25/822022525.db2.gz MVSNGMBGDRKVRQ-MJGOQNOKSA-N 0 3 381.442 4.191 20 30 GIEDHN CC(C)(C)[C@@H](NCC(=O)N[C@](C)(C#N)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000181967036 822048007 /nfs/dbraw/zinc/04/80/07/822048007.db2.gz PFRZHNKPKXHXBD-PKOBYXMFSA-N 0 3 381.442 4.191 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](c1ccccc1)C1CC1 ZINC000179105648 822438618 /nfs/dbraw/zinc/43/86/18/822438618.db2.gz ZGWWZQORHSLEOR-JTSKRJEESA-N 0 3 377.488 4.071 20 30 GIEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ncc(C(C)(C)C)o1 ZINC000046212845 822450700 /nfs/dbraw/zinc/45/07/00/822450700.db2.gz UPWZCLZCXHDJLE-UHFFFAOYSA-N 0 3 389.569 4.070 20 30 GIEDHN CC(C)(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000454392376 822467866 /nfs/dbraw/zinc/46/78/66/822467866.db2.gz VJKBIDPNHZVKSI-JOCHJYFZSA-N 0 3 375.516 4.080 20 30 GIEDHN COc1ccc([C@@H](N[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686527 822527213 /nfs/dbraw/zinc/52/72/13/822527213.db2.gz UWSBWNGJVSJUBA-AOMKIAJQSA-N 0 3 395.478 4.210 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000047011265 822537649 /nfs/dbraw/zinc/53/76/49/822537649.db2.gz ZGRVBOCQARQPMT-UHFFFAOYSA-N 0 3 381.863 4.162 20 30 GIEDHN N#Cc1ccc(CSc2ccccc2C(=O)NCCN2CCCCC2)cc1 ZINC000047140404 822547830 /nfs/dbraw/zinc/54/78/30/822547830.db2.gz NDLNBMDLJHOURR-UHFFFAOYSA-N 0 3 379.529 4.066 20 30 GIEDHN Cn1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000179977762 822589202 /nfs/dbraw/zinc/58/92/02/822589202.db2.gz DEDNABSTYMOAGV-HSZRJFAPSA-N 0 3 386.499 4.140 20 30 GIEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cncc(OC(C)C)c2)cc1 ZINC000179982738 822590333 /nfs/dbraw/zinc/59/03/33/822590333.db2.gz YTSYZWNZLONTJQ-MGPUTAFESA-N 0 3 379.460 4.343 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccsc1 ZINC000180043852 822603204 /nfs/dbraw/zinc/60/32/04/822603204.db2.gz CGVPFGKTBHUSHT-MAUKXSAKSA-N 0 3 386.521 4.244 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccccc1O[C@@H](C)C#N)c1ccsc1 ZINC000180043835 822603346 /nfs/dbraw/zinc/60/33/46/822603346.db2.gz CGVPFGKTBHUSHT-YJBOKZPZSA-N 0 3 386.521 4.244 20 30 GIEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C2CC2)C2CCCCC2)c1C#N ZINC000048008928 822624986 /nfs/dbraw/zinc/62/49/86/822624986.db2.gz ZBAGSBLRKMXKAB-UHFFFAOYSA-N 0 3 394.519 4.354 20 30 GIEDHN CC(C)NC(=O)Nc1ccccc1C(=O)C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000048828976 822685172 /nfs/dbraw/zinc/68/51/72/822685172.db2.gz UKVPDFOIWLDVGS-AWEZNQCLSA-N 0 3 390.365 4.120 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2c(C)ccc(F)c2Br)CC1 ZINC000455747459 822719056 /nfs/dbraw/zinc/71/90/56/822719056.db2.gz IJIAZURJOWPHAZ-UHFFFAOYSA-N 0 3 384.293 4.059 20 30 GIEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185568096 822797361 /nfs/dbraw/zinc/79/73/61/822797361.db2.gz WRLKISXWGRYJRJ-RYRKJORJSA-N 0 3 395.528 4.174 20 30 GIEDHN CN(C)Cc1cccc(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)c1 ZINC000174551842 822804139 /nfs/dbraw/zinc/80/41/39/822804139.db2.gz UNKWJMJGYLBKCQ-XMMPIXPASA-N 0 3 399.494 4.322 20 30 GIEDHN C=C(C)C[C@@H](C)C(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000457119158 822855182 /nfs/dbraw/zinc/85/51/82/822855182.db2.gz QXAHOZJZNYTQBZ-GOSISDBHSA-N 0 3 389.971 4.055 20 30 GIEDHN Cc1cc(C#N)ccc1CN1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000186297266 822872776 /nfs/dbraw/zinc/87/27/76/822872776.db2.gz YWEAYIUCPHRNOX-UHFFFAOYSA-N 0 3 387.527 4.270 20 30 GIEDHN Cc1ccc2c(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)coc2c1C ZINC000060722714 823554072 /nfs/dbraw/zinc/55/40/72/823554072.db2.gz DEQZYRZRDOWTPL-UHFFFAOYSA-N 0 3 389.499 4.054 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124199263 823576690 /nfs/dbraw/zinc/57/66/90/823576690.db2.gz RZDYNZFWROOLLA-OWCLPIDISA-N 0 3 397.441 4.041 20 30 GIEDHN COc1ccc(C)cc1[C@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411459415 823577188 /nfs/dbraw/zinc/57/71/88/823577188.db2.gz MYQIEQVZHPXAPZ-AWEZNQCLSA-N 0 3 383.517 4.105 20 30 GIEDHN COC[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1ccccc1 ZINC000411458929 823577195 /nfs/dbraw/zinc/57/71/95/823577195.db2.gz RKKNGGPPAHBDQO-HNAYVOBHSA-N 0 3 397.544 4.050 20 30 GIEDHN Cc1ccc([C@H](C)NCCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1[N+](=O)[O-] ZINC000411471532 823578769 /nfs/dbraw/zinc/57/87/69/823578769.db2.gz FIYOUUZKMZANSL-ZDUSSCGKSA-N 0 3 386.839 4.108 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)cc2OCc2ccccc2)CC1 ZINC000190495625 823580967 /nfs/dbraw/zinc/58/09/67/823580967.db2.gz KMQAOVBWKUCGEB-UHFFFAOYSA-N 0 3 395.503 4.046 20 30 GIEDHN COc1ccc2cc([C@@H](C)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc2c1 ZINC000190606239 823590788 /nfs/dbraw/zinc/59/07/88/823590788.db2.gz VBROHRVGZPWOBR-MZNJEOGPSA-N 0 3 399.494 4.172 20 30 GIEDHN C=CCN(Cc1ccccc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061793044 823614860 /nfs/dbraw/zinc/61/48/60/823614860.db2.gz KOWKTZANRCHKPI-UHFFFAOYSA-N 0 3 395.572 4.498 20 30 GIEDHN Cc1cc(C)n(-c2ccc(CNCc3cc(C#N)n(C)c3)c(C(F)(F)F)c2)n1 ZINC000190873747 823618506 /nfs/dbraw/zinc/61/85/06/823618506.db2.gz GHZATQDMGOZIFH-UHFFFAOYSA-N 0 3 387.409 4.008 20 30 GIEDHN N#CC(C(=O)c1cccc(OCc2cccnc2)c1)c1cnc2ccccc2n1 ZINC000190888259 823620090 /nfs/dbraw/zinc/62/00/90/823620090.db2.gz HDWSEFVEFCYMRL-LJQANCHMSA-N 0 3 380.407 4.094 20 30 GIEDHN C=CCOc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000062256738 823626773 /nfs/dbraw/zinc/62/67/73/823626773.db2.gz MGXFIVDBYPSLJP-UHFFFAOYSA-N 0 3 390.277 4.075 20 30 GIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccccc1C(F)(F)F ZINC000062369352 823630044 /nfs/dbraw/zinc/63/00/44/823630044.db2.gz AFFYCGZNZKDKDQ-UHFFFAOYSA-N 0 3 390.409 4.173 20 30 GIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000062372441 823630205 /nfs/dbraw/zinc/63/02/05/823630205.db2.gz HOKSXNJELIVXDF-UHFFFAOYSA-N 0 3 391.302 4.461 20 30 GIEDHN N#CC(C(=O)c1cccc(NC(=O)c2cccs2)c1)c1cnc2ccccc2n1 ZINC000190969672 823632151 /nfs/dbraw/zinc/63/21/51/823632151.db2.gz VHQZLMKUVKCWMR-INIZCTEOSA-N 0 3 398.447 4.434 20 30 GIEDHN C=CCOc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)c1 ZINC000062410341 823633903 /nfs/dbraw/zinc/63/39/03/823633903.db2.gz UVLFBWIWFHFJEW-UHFFFAOYSA-N 0 3 389.446 4.125 20 30 GIEDHN CCC1(CC)[C@H](NCC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1OC ZINC000191391863 823679778 /nfs/dbraw/zinc/67/97/78/823679778.db2.gz HAEJOQGMNAORIO-KFKAGJAMSA-N 0 3 389.565 4.060 20 30 GIEDHN N#CC(C(=O)CCCOc1ccccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000125587098 823687642 /nfs/dbraw/zinc/68/76/42/823687642.db2.gz NQLLMRMRNFLPDQ-CYBMUJFWSA-N 0 3 392.789 4.125 20 30 GIEDHN CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000574506606 823750988 /nfs/dbraw/zinc/75/09/88/823750988.db2.gz PHNWUQCSOPRDSH-MAODMQOUSA-N 0 3 397.906 4.091 20 30 GIEDHN COc1ccc(CN2CC[C@]3(C2)CCc2ccccc2O3)cc1OCCCC#N ZINC000574562702 823767529 /nfs/dbraw/zinc/76/75/29/823767529.db2.gz CNPSAAACARBCRA-DEOSSOPVSA-N 0 3 392.499 4.347 20 30 GIEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2cc(F)ccc2N2CCC(O)CC2)cc1 ZINC000167792615 823895743 /nfs/dbraw/zinc/89/57/43/823895743.db2.gz XNAIBURQUQDVEG-ROUUACIJSA-N 0 3 396.506 4.211 20 30 GIEDHN Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000462309691 823919936 /nfs/dbraw/zinc/91/99/36/823919936.db2.gz DBYXGLMJWDQAQO-LJQANCHMSA-N 0 3 390.531 4.139 20 30 GIEDHN C[C@@H]1CN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](C)CN1 ZINC000414901650 824048056 /nfs/dbraw/zinc/04/80/56/824048056.db2.gz IXCXJIIYSUGOKH-ZRGWGRIASA-N 0 3 382.895 4.210 20 30 GIEDHN CSc1ccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)N(C)C)cc1 ZINC000458580582 823059224 /nfs/dbraw/zinc/05/92/24/823059224.db2.gz OCUVOKJQVFUTFE-LEWJYISDSA-N 0 3 396.560 4.355 20 30 GIEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(COCC(F)(F)F)c2)cc1 ZINC000120861423 823078781 /nfs/dbraw/zinc/07/87/81/823078781.db2.gz FMEJYLNVGXFKSP-HNNXBMFYSA-N 0 3 378.394 4.346 20 30 GIEDHN N#CCc1ccc(OC[C@@H](O)CN2CCCC[C@H]2c2cc3ccccc3[nH]2)cc1 ZINC000121022139 823104480 /nfs/dbraw/zinc/10/44/80/823104480.db2.gz XFIDLTMLXMNAEW-RDPSFJRHSA-N 0 3 389.499 4.201 20 30 GIEDHN CN(C(=O)c1cccc(SCC#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000176058051 823109158 /nfs/dbraw/zinc/10/91/58/823109158.db2.gz QNNMVJVZVWUUAZ-FQEVSTJZSA-N 0 3 379.529 4.039 20 30 GIEDHN C[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000121674776 823228059 /nfs/dbraw/zinc/22/80/59/823228059.db2.gz LJOYDBNLRIKLKN-CXAGYDPISA-N 0 3 380.410 4.357 20 30 GIEDHN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121675461 823228107 /nfs/dbraw/zinc/22/81/07/823228107.db2.gz NZDBIQIWOLIGIX-CXAGYDPISA-N 0 3 380.410 4.042 20 30 GIEDHN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000121675615 823228141 /nfs/dbraw/zinc/22/81/41/823228141.db2.gz NZDBIQIWOLIGIX-GUYCJALGSA-N 0 3 380.410 4.042 20 30 GIEDHN C[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000121674631 823228216 /nfs/dbraw/zinc/22/82/16/823228216.db2.gz LJOYDBNLRIKLKN-SUMWQHHRSA-N 0 3 380.410 4.357 20 30 GIEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1coc(-c2ccccc2)n1 ZINC000121714717 823236157 /nfs/dbraw/zinc/23/61/57/823236157.db2.gz VCHBLGRARABKHS-SFHVURJKSA-N 0 3 381.391 4.456 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)c1ccc(CC)cc1 ZINC000121730658 823238731 /nfs/dbraw/zinc/23/87/31/823238731.db2.gz CBWZXCHFFDHDGW-LPHOPBHVSA-N 0 3 378.472 4.489 20 30 GIEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121772904 823247299 /nfs/dbraw/zinc/24/72/99/823247299.db2.gz LCABRVZFXNJCPB-LJQANCHMSA-N 0 3 379.416 4.207 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000121783736 823250467 /nfs/dbraw/zinc/25/04/67/823250467.db2.gz ZDYWRPXOHQGCHA-AUUYWEPGSA-N 0 3 379.416 4.378 20 30 GIEDHN N#CC(C(=O)CCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1C(F)F ZINC000176726426 823278702 /nfs/dbraw/zinc/27/87/02/823278702.db2.gz PZQLUTAWSBUGFO-AWEZNQCLSA-N 0 3 384.342 4.149 20 30 GIEDHN CN(C)[C@@H](CNc1ccc(C#N)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000572215817 823302694 /nfs/dbraw/zinc/30/26/94/823302694.db2.gz AHFOWSISPFEFHQ-KRWDZBQOSA-N 0 3 378.354 4.200 20 30 GIEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008261581 818025311 /nfs/dbraw/zinc/02/53/11/818025311.db2.gz GUMZUPQBLXGXNX-OAHLLOKOSA-N 0 3 396.541 4.438 20 30 GIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cccc(F)c1 ZINC000016585291 818455874 /nfs/dbraw/zinc/45/58/74/818455874.db2.gz RBKYVHIZCBWVDG-UHFFFAOYSA-N 0 3 385.508 4.488 20 30 GIEDHN CN(C)CCN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1 ZINC000058297353 823375723 /nfs/dbraw/zinc/37/57/23/823375723.db2.gz YEQNVIZNDZKWMF-UHFFFAOYSA-N 0 3 399.494 4.346 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000123051950 823453895 /nfs/dbraw/zinc/45/38/95/823453895.db2.gz ZZNSYARERYETPL-QGZVFWFLSA-N 0 3 384.439 4.427 20 30 GIEDHN COc1csc(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)c1 ZINC000177596759 823498709 /nfs/dbraw/zinc/49/87/09/823498709.db2.gz IMYJXQUMDJHXLL-GFCCVEGCSA-N 0 3 382.413 4.033 20 30 GIEDHN C[C@H](O/N=C/c1ccc(N2CCOCC2)cc1)c1ncc(-c2ccccc2)o1 ZINC000177668358 823511125 /nfs/dbraw/zinc/51/11/25/823511125.db2.gz QRRMESPCOVAPLE-SYXCRGJESA-N 0 3 377.444 4.290 20 30 GIEDHN CCCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000060348993 823518066 /nfs/dbraw/zinc/51/80/66/823518066.db2.gz NLQMBSGVSJUDRT-QFIPXVFZSA-N 0 3 376.504 4.467 20 30 GIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000043182201 821375225 /nfs/dbraw/zinc/37/52/25/821375225.db2.gz HNUSZKZPTFDDHH-INIZCTEOSA-N 0 3 384.911 4.046 20 30 GIEDHN C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000043521427 821421953 /nfs/dbraw/zinc/42/19/53/821421953.db2.gz JNIDKRIETMNYAE-UHFFFAOYSA-N 0 3 392.547 4.357 20 30 GIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000043875775 821481287 /nfs/dbraw/zinc/48/12/87/821481287.db2.gz BEWWYNUANWHSGD-QGZVFWFLSA-N 0 3 390.487 4.139 20 30 GIEDHN N#CC(C(=O)Cc1cccc(F)c1F)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000181010579 821591639 /nfs/dbraw/zinc/59/16/39/821591639.db2.gz RTXUCGJEVZJDCN-CYBMUJFWSA-N 0 3 396.365 4.170 20 30 GIEDHN CSc1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000044566231 821608972 /nfs/dbraw/zinc/60/89/72/821608972.db2.gz IJJJVAKJYSMHQV-UHFFFAOYSA-N 0 3 387.936 4.138 20 30 GIEDHN C#CCOc1ccc([C@H](C)NCc2ccc(COC3CCOCC3)cc2)cc1 ZINC000181612660 821903831 /nfs/dbraw/zinc/90/38/31/821903831.db2.gz JSJOIKNADDDHEB-IBGZPJMESA-N 0 3 379.500 4.245 20 30 GIEDHN CC(C)(C)NC(=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182785261 822367320 /nfs/dbraw/zinc/36/73/20/822367320.db2.gz GAXCZUMJRPDESP-UHFFFAOYSA-N 0 3 390.531 4.163 20 30 GIEDHN Cc1nccn1-c1ccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)cc1 ZINC000183155901 822432836 /nfs/dbraw/zinc/43/28/36/822432836.db2.gz LBWISPPMKBRKAV-CQSZACIVSA-N 0 3 393.516 4.020 20 30 GIEDHN N#CC(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc2ccccc2s1 ZINC000046706479 822507447 /nfs/dbraw/zinc/50/74/47/822507447.db2.gz NNAICMPRXKOBSJ-SJORKVTESA-N 0 3 378.453 4.344 20 30 GIEDHN COc1ccc([C@@H](N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C2CC2)cc1 ZINC000179686540 822527163 /nfs/dbraw/zinc/52/71/63/822527163.db2.gz UWSBWNGJVSJUBA-ZHRRBRCNSA-N 0 3 395.478 4.210 20 30 GIEDHN N#CCCCOc1cccc(CN2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000179744571 822541431 /nfs/dbraw/zinc/54/14/31/822541431.db2.gz HWCFGMLTNZYZGX-UHFFFAOYSA-N 0 3 377.488 4.220 20 30 GIEDHN C=CCOc1ccc(CN2CCC(C(=O)Nc3ccccc3)CC2)cc1OC ZINC000179745194 822541651 /nfs/dbraw/zinc/54/16/51/822541651.db2.gz XGZCGBJUSKLZPY-UHFFFAOYSA-N 0 3 380.488 4.111 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)c1 ZINC000179792905 822553960 /nfs/dbraw/zinc/55/39/60/822553960.db2.gz QHUYSRTYVHHKBJ-IFXJQAMLSA-N 0 3 384.863 4.265 20 30 GIEDHN N#Cc1ccsc1NC(=O)CCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000047274027 822560953 /nfs/dbraw/zinc/56/09/53/822560953.db2.gz JTCBYSGXHYFQMG-UHFFFAOYSA-N 0 3 394.475 4.358 20 30 GIEDHN CC(C)N(Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179933683 822579973 /nfs/dbraw/zinc/57/99/73/822579973.db2.gz AUCYQJDUWIVCOP-UHFFFAOYSA-N 0 3 389.459 4.278 20 30 GIEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000179981454 822590044 /nfs/dbraw/zinc/59/00/44/822590044.db2.gz YYTGWDSNCVSCQC-AWEZNQCLSA-N 0 3 392.242 4.137 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000180014778 822596790 /nfs/dbraw/zinc/59/67/90/822596790.db2.gz IIUBWDRFBMOSEX-SFHVURJKSA-N 0 3 392.503 4.106 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNCc3cccnc3-n3cccn3)c2)c1 ZINC000047701372 822600950 /nfs/dbraw/zinc/60/09/50/822600950.db2.gz LSRBTCGFAFOMIN-UHFFFAOYSA-N 0 3 395.466 4.008 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)Nc2nc(-c3ccccc3Cl)ns2)CC1 ZINC000184378794 822624800 /nfs/dbraw/zinc/62/48/00/822624800.db2.gz GRUJFFXSDFGSPM-UHFFFAOYSA-N 0 3 391.928 4.021 20 30 GIEDHN CS(=O)(=O)c1cccc([C@@H](NCCCCC#N)c2ccc(Cl)cc2)c1 ZINC000180429404 822680324 /nfs/dbraw/zinc/68/03/24/822680324.db2.gz RSCVNJDUCXLMTB-IBGZPJMESA-N 0 3 376.909 4.116 20 30 GIEDHN N#CCOc1ccc(CN[C@@H]2CCCOc3c(Br)cccc32)cc1 ZINC000180547337 822699984 /nfs/dbraw/zinc/69/99/84/822699984.db2.gz CPJSFOQETYRBJY-GOSISDBHSA-N 0 3 387.277 4.355 20 30 GIEDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704669 822707647 /nfs/dbraw/zinc/70/76/47/822707647.db2.gz NWBGWHLMVAKASU-MAUKXSAKSA-N 0 3 382.895 4.363 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ccc(CC#N)cc1Cl ZINC000455724512 822714178 /nfs/dbraw/zinc/71/41/78/822714178.db2.gz CDUDFJJHTNALGI-MGPUTAFESA-N 0 3 382.895 4.048 20 30 GIEDHN C[C@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1Cc1ccccc1 ZINC000455733661 822716574 /nfs/dbraw/zinc/71/65/74/822716574.db2.gz NVOLVZVCTSISBO-KXBFYZLASA-N 0 3 382.895 4.191 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(C)(F)F ZINC000455782195 822725774 /nfs/dbraw/zinc/72/57/74/822725774.db2.gz APKTVVZMWNAJCS-UHFFFAOYSA-N 0 3 386.446 4.266 20 30 GIEDHN COc1ccc(CNCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1C#N ZINC000174308321 822768669 /nfs/dbraw/zinc/76/86/69/822768669.db2.gz UVMAYUWCLVBBRK-UHFFFAOYSA-N 0 3 386.377 4.061 20 30 GIEDHN CC(=O)N1CC[C@@H](NCc2cccc(OCCCC#N)c2)c2ccc(F)cc2C1 ZINC000185355547 822770431 /nfs/dbraw/zinc/77/04/31/822770431.db2.gz MRBUIGOQJNWKDQ-HSZRJFAPSA-N 0 3 395.478 4.091 20 30 GIEDHN N#CC(C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC1CCCC1 ZINC000051653055 822771468 /nfs/dbraw/zinc/77/14/68/822771468.db2.gz CWOQKZVETKKDBM-NRFANRHFSA-N 0 3 388.467 4.084 20 30 GIEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1COc2ccccc21 ZINC000185595897 822800422 /nfs/dbraw/zinc/80/04/22/822800422.db2.gz VXZMLDMTMXCICS-RYRKJORJSA-N 0 3 395.528 4.031 20 30 GIEDHN C=C(C)[C@@H](CC(=O)Nc1cc(Cl)ccc1OC1CCN(C)CC1)OCC ZINC000456793265 822831551 /nfs/dbraw/zinc/83/15/51/822831551.db2.gz QBNDMXYDFMRMSB-LJQANCHMSA-N 0 3 380.916 4.123 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N(Cc2ccc3c(c2)CCO3)C2CCCC2)CC1 ZINC000174769946 822834815 /nfs/dbraw/zinc/83/48/15/822834815.db2.gz PFFXZZINVVTLDE-UHFFFAOYSA-N 0 3 397.563 4.116 20 30 GIEDHN C=CCC[C@H](C)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000186083867 822850187 /nfs/dbraw/zinc/85/01/87/822850187.db2.gz ZKKIRHHXDUYHSU-VBKZILBWSA-N 0 3 379.472 4.402 20 30 GIEDHN CC(C)C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000186329554 822876957 /nfs/dbraw/zinc/87/69/57/822876957.db2.gz YAMYYJYLXNGSQU-SCTDSRPQSA-N 0 3 389.565 4.203 20 30 GIEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386113 822914276 /nfs/dbraw/zinc/91/42/76/822914276.db2.gz SFWPLMSDJCADNE-VXKWHMMOSA-N 0 3 384.483 4.202 20 30 GIEDHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000175308597 822931077 /nfs/dbraw/zinc/93/10/77/822931077.db2.gz SKPAWTHNODHQIR-UHFFFAOYSA-N 0 3 382.895 4.340 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(OC)c1 ZINC000175550257 822995486 /nfs/dbraw/zinc/99/54/86/822995486.db2.gz ZAPRFKWRZDEMDG-OAQYLSRUSA-N 0 3 397.544 4.124 20 30 GIEDHN N#Cc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1Cl ZINC000123851951 823545585 /nfs/dbraw/zinc/54/55/85/823545585.db2.gz FETPOIPGRGNZGJ-LBPRGKRZSA-N 0 3 392.629 4.480 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCc2nc(C3CC3)no2)cc1 ZINC000124098539 823567456 /nfs/dbraw/zinc/56/74/56/823567456.db2.gz BXFINHIGAULGIC-RDTXWAMCSA-N 0 3 394.475 4.131 20 30 GIEDHN COc1ccc(C)cc1[C@@H](C)NCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000411459417 823577208 /nfs/dbraw/zinc/57/72/08/823577208.db2.gz MYQIEQVZHPXAPZ-CQSZACIVSA-N 0 3 383.517 4.105 20 30 GIEDHN CCOc1cccc2cc([C@H](C)NCCC(=O)Nc3ccccc3C#N)oc21 ZINC000411528841 823584922 /nfs/dbraw/zinc/58/49/22/823584922.db2.gz HKFWLGVOQSQHBZ-HNNXBMFYSA-N 0 3 377.444 4.383 20 30 GIEDHN COc1ccc(-c2cncc(C(=O)C(C#N)c3nc4ccccc4n3C)c2)cc1 ZINC000124413775 823594627 /nfs/dbraw/zinc/59/46/27/823594627.db2.gz WANXXTXQZKVWLL-IBGZPJMESA-N 0 3 382.423 4.134 20 30 GIEDHN CSc1ccccc1OC[C@H](O)CN(Cc1ccc(F)c(C#N)c1)C(C)C ZINC000411984951 823618130 /nfs/dbraw/zinc/61/81/30/823618130.db2.gz NJJBIJLXYNZVIB-GOSISDBHSA-N 0 3 388.508 4.070 20 30 GIEDHN C=CCc1ccccc1OC[C@H](O)CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000411999630 823620211 /nfs/dbraw/zinc/62/02/11/823620211.db2.gz NBVCPLSQXQZHKQ-VWNXMTODSA-N 0 3 393.527 4.009 20 30 GIEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)c(OCC(C)C)c1 ZINC000190912179 823623230 /nfs/dbraw/zinc/62/32/30/823623230.db2.gz YSGWNPWEHVNZND-KRWDZBQOSA-N 0 3 375.428 4.163 20 30 GIEDHN Cn1cc(CNCc2ccc(OCCOc3ccc(Cl)cc3)cc2)cc1C#N ZINC000190945909 823628589 /nfs/dbraw/zinc/62/85/89/823628589.db2.gz JKSKDZRSGXHRQP-UHFFFAOYSA-N 0 3 395.890 4.298 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3C)c2C(C)C)CC1 ZINC000191366541 823677141 /nfs/dbraw/zinc/67/71/41/823677141.db2.gz BNWWYPFSZISLDY-UHFFFAOYSA-N 0 3 380.536 4.074 20 30 GIEDHN C=CCc1cccc(C(C)C)c1NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000191430205 823684437 /nfs/dbraw/zinc/68/44/37/823684437.db2.gz JXTPJIWZLZXNHE-NRFANRHFSA-N 0 3 398.595 4.172 20 30 GIEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccc(C)c2)n1 ZINC000125689318 823696956 /nfs/dbraw/zinc/69/69/56/823696956.db2.gz XCQWKJAOIGTFSC-SFHVURJKSA-N 0 3 383.517 4.066 20 30 GIEDHN CN(CCN(Cc1ccccc1)C(=O)N[C@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000461946824 823767750 /nfs/dbraw/zinc/76/77/50/823767750.db2.gz HWGGQMUEIZSQNB-GOTSBHOMSA-N 0 3 390.531 4.022 20 30 GIEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cccc1-c1ccccn1 ZINC000165579183 823854283 /nfs/dbraw/zinc/85/42/83/823854283.db2.gz DAJXVMSZGNZUGF-UHFFFAOYSA-N 0 3 398.510 4.133 20 30 GIEDHN C[C@@H](N[C@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000126408823 823859839 /nfs/dbraw/zinc/85/98/39/823859839.db2.gz BVTFHCHUBOGGFZ-WOJBJXKFSA-N 0 3 390.531 4.273 20 30 GIEDHN Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000462309688 823920062 /nfs/dbraw/zinc/92/00/62/823920062.db2.gz DBYXGLMJWDQAQO-IBGZPJMESA-N 0 3 390.531 4.139 20 30 GIEDHN CC(C)(C)c1nc(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cs1 ZINC000170672933 823933000 /nfs/dbraw/zinc/93/30/00/823933000.db2.gz FGHFVKGKZPXYNF-GFCCVEGCSA-N 0 3 393.871 4.123 20 30 GIEDHN CCN(CC)[C@@H](CNC(=O)c1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000065121924 823947378 /nfs/dbraw/zinc/94/73/78/823947378.db2.gz QMVSPTDVNSSYFJ-IBGZPJMESA-N 0 3 389.421 4.390 20 30 GIEDHN CN(C)C[C@@H](NC(=O)Nc1cc(C#N)cn1C(C)(C)C)c1ccc(Cl)cc1 ZINC000575817344 824002653 /nfs/dbraw/zinc/00/26/53/824002653.db2.gz RZNHPDDDRKXKRE-QGZVFWFLSA-N 0 3 387.915 4.193 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc(-c3ccc(OC)cc3F)cc2F)CC1 ZINC000170949076 824013700 /nfs/dbraw/zinc/01/37/00/824013700.db2.gz ISPDZSGHHJSYIW-UHFFFAOYSA-N 0 3 386.442 4.021 20 30 GIEDHN C=CCOc1c(Br)cc(CNCc2cc(C)cc(N)c2)cc1OC ZINC000414973433 824055884 /nfs/dbraw/zinc/05/58/84/824055884.db2.gz ZQVIWMQIBRIPON-UHFFFAOYSA-N 0 3 391.309 4.203 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000047671738 221976924 /nfs/dbraw/zinc/97/69/24/221976924.db2.gz NFMBKBQZBBXDCB-UHFFFAOYSA-N 0 3 391.302 4.461 20 30 GIEDHN C=C(C)COc1cc(CN2CCC(c3nnc4ccccn43)CC2)ccc1OC ZINC000120935018 823089256 /nfs/dbraw/zinc/08/92/56/823089256.db2.gz GDUBHYSQJLBBAB-UHFFFAOYSA-N 0 3 392.503 4.072 20 30 GIEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN[C@H]1CCC[C@@H]1C#N ZINC000459456302 823195892 /nfs/dbraw/zinc/19/58/92/823195892.db2.gz FOTVKRDBTXODHX-ZBFHGGJFSA-N 0 3 378.314 4.067 20 30 GIEDHN N#CCc1ccc(OC[C@H](O)CN2CC3(CCCC3)[C@H]2c2ccccc2)cc1 ZINC000459566652 823221422 /nfs/dbraw/zinc/22/14/22/823221422.db2.gz HTGUAWXGLFRFAV-FYYLOGMGSA-N 0 3 376.500 4.110 20 30 GIEDHN CCN(C(=O)Nc1snc(C)c1C#N)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000459598630 823227337 /nfs/dbraw/zinc/22/73/37/823227337.db2.gz YYARRHBMFGKTDH-RDJZCZTQSA-N 0 3 383.521 4.013 20 30 GIEDHN CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)c1coc(-c2ccccc2)n1 ZINC000121699423 823233228 /nfs/dbraw/zinc/23/32/28/823233228.db2.gz IXXSTTGLEQEQER-GOSISDBHSA-N 0 3 387.439 4.428 20 30 GIEDHN C=CCc1cc(CN2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)cc(OC)c1O ZINC000459655751 823241334 /nfs/dbraw/zinc/24/13/34/823241334.db2.gz VCCCGUAKPGJLFP-GOSISDBHSA-N 0 3 399.453 4.310 20 30 GIEDHN N#Cc1csc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000121753184 823243652 /nfs/dbraw/zinc/24/36/52/823243652.db2.gz DSABPZVZPYTQCC-ZDUSSCGKSA-N 0 3 391.422 4.061 20 30 GIEDHN CN(CCc1nc(-c2ccccc2)no1)Cc1cccc(OCCCC#N)c1 ZINC000572047379 823274004 /nfs/dbraw/zinc/27/40/04/823274004.db2.gz FGKJLEBNVDIDLY-UHFFFAOYSA-N 0 3 376.460 4.094 20 30 GIEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000176722895 823277507 /nfs/dbraw/zinc/27/75/07/823277507.db2.gz VFBUEZSXCXRPBD-AWEZNQCLSA-N 0 3 384.716 4.459 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)N(CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000188682026 823285452 /nfs/dbraw/zinc/28/54/52/823285452.db2.gz LDPIRVNSWXDHJY-UHFFFAOYSA-N 0 3 383.458 4.191 20 30 GIEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccccc1C ZINC000007043838 817745443 /nfs/dbraw/zinc/74/54/43/817745443.db2.gz KVVXASPXIIVJBU-OAHLLOKOSA-N 0 3 397.529 4.007 20 30 GIEDHN CCOc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCc1cccnc1 ZINC000122303293 823335022 /nfs/dbraw/zinc/33/50/22/823335022.db2.gz GXTUVBZMNUAVJR-QGZVFWFLSA-N 0 3 393.468 4.314 20 30 GIEDHN CC(C)(C)N1CC[C@H](NCc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572538970 823357242 /nfs/dbraw/zinc/35/72/42/823357242.db2.gz PICUYBFSEALOMW-PMACEKPBSA-N 0 3 386.902 4.449 20 30 GIEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1 ZINC000022199460 818782660 /nfs/dbraw/zinc/78/26/60/818782660.db2.gz XWGMGXAUSLEAOD-UHFFFAOYSA-N 0 3 379.938 4.284 20 30 GIEDHN COC(=O)c1ccc(CNCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000572648104 823375000 /nfs/dbraw/zinc/37/50/00/823375000.db2.gz OBUFWYNZBDEJNU-UHFFFAOYSA-N 0 3 386.451 4.214 20 30 GIEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc2cc(C)c(C)cc2o1 ZINC000122890772 823429712 /nfs/dbraw/zinc/42/97/12/823429712.db2.gz POSLRXOZAHWPNV-INIZCTEOSA-N 0 3 376.412 4.410 20 30 GIEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000177347714 823441886 /nfs/dbraw/zinc/44/18/86/823441886.db2.gz RRCJHTODBIGMIC-UHFFFAOYSA-N 0 3 389.455 4.353 20 30 GIEDHN CN(CCOc1ccc(Cl)cc1Br)Cc1cccc(C#N)c1 ZINC000026326437 820084038 /nfs/dbraw/zinc/08/40/38/820084038.db2.gz VWQXHHAOAIZRGC-UHFFFAOYSA-N 0 3 379.685 4.485 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1nc2ccccc2[nH]1 ZINC000041494920 821198498 /nfs/dbraw/zinc/19/84/98/821198498.db2.gz OCHOWJVOXDVIGP-CQSZACIVSA-N 0 3 392.365 4.305 20 30 GIEDHN Cc1csc(C(C#N)C(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)n1 ZINC000041521480 821205084 /nfs/dbraw/zinc/20/50/84/821205084.db2.gz XMINZBCEWJQWDO-INIZCTEOSA-N 0 3 392.440 4.462 20 30 GIEDHN Cc1c(C(=O)C(C#N)c2cc(C)nc(C)n2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000041560606 821211497 /nfs/dbraw/zinc/21/14/97/821211497.db2.gz XJPRFBRGYHKWFD-MRXNPFEDSA-N 0 3 399.376 4.096 20 30 GIEDHN CCN(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000042322494 821300323 /nfs/dbraw/zinc/30/03/23/821300323.db2.gz SUDUAMJAHQJZAD-VGOFRKELSA-N 0 3 394.519 4.010 20 30 GIEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc(Cl)c1 ZINC000043183014 821375626 /nfs/dbraw/zinc/37/56/26/821375626.db2.gz FCGFPTKKBOWWCU-MRXNPFEDSA-N 0 3 384.911 4.046 20 30 GIEDHN C=CCN(Cc1cccs1)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000043231988 821378527 /nfs/dbraw/zinc/37/85/27/821378527.db2.gz ZVVXMNKSQWRXDR-QGZVFWFLSA-N 0 3 375.563 4.344 20 30 GIEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000043875773 821481302 /nfs/dbraw/zinc/48/13/02/821481302.db2.gz BEWWYNUANWHSGD-KRWDZBQOSA-N 0 3 390.487 4.139 20 30 GIEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181696346 821947978 /nfs/dbraw/zinc/94/79/78/821947978.db2.gz BCRNKSFDDDDPQP-UHFFFAOYSA-N 0 3 375.472 4.121 20 30 GIEDHN CCN(CC)C(=O)c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182027365 822067126 /nfs/dbraw/zinc/06/71/26/822067126.db2.gz JPCXMGKWMOSBQY-UHFFFAOYSA-N 0 3 390.531 4.117 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)ccc2OC(C)C)CC1 ZINC000178394433 822374973 /nfs/dbraw/zinc/37/49/73/822374973.db2.gz XEWTZOYATWGULO-UHFFFAOYSA-N 0 3 396.329 4.008 20 30 GIEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000178705728 822404490 /nfs/dbraw/zinc/40/44/90/822404490.db2.gz HTBFTTWKZGZJHF-MEDUHNTESA-N 0 3 376.790 4.459 20 30 GIEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](C)c2ccccc2C(F)(F)F)CC1 ZINC000179316256 822465098 /nfs/dbraw/zinc/46/50/98/822465098.db2.gz SAYGMQCMWTXWTP-GJZGRUSLSA-N 0 3 383.458 4.147 20 30 GIEDHN N#CC(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1nc2ccccc2s1 ZINC000046706481 822507428 /nfs/dbraw/zinc/50/74/28/822507428.db2.gz NNAICMPRXKOBSJ-IAGOWNOFSA-N 0 3 378.453 4.344 20 30 GIEDHN CC1CCN([C@H](CNC(=O)N(C)Cc2cccc(C#N)c2)c2cccs2)CC1 ZINC000046886800 822526895 /nfs/dbraw/zinc/52/68/95/822526895.db2.gz ROPMGWJIXCHPBF-HXUWFJFHSA-N 0 3 396.560 4.234 20 30 GIEDHN CCc1nnc(-c2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2)o1 ZINC000179958520 822585669 /nfs/dbraw/zinc/58/56/69/822585669.db2.gz VMQSSMMFOGZYLS-UHFFFAOYSA-N 0 3 387.487 4.247 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000184302897 822611020 /nfs/dbraw/zinc/61/10/20/822611020.db2.gz PBSOIENLKHODPA-MOPGFXCFSA-N 0 3 392.503 4.106 20 30 GIEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000180089584 822613077 /nfs/dbraw/zinc/61/30/77/822613077.db2.gz KFPUGQAXUAEKFJ-OALUTQOASA-N 0 3 392.503 4.106 20 30 GIEDHN Cn1cc(CNCc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180140873 822624782 /nfs/dbraw/zinc/62/47/82/822624782.db2.gz XDFYHUDPBUREPW-UHFFFAOYSA-N 0 3 381.277 4.011 20 30 GIEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1 ZINC000048829773 822685179 /nfs/dbraw/zinc/68/51/79/822685179.db2.gz INDNZJHYVMRBJW-OAHLLOKOSA-N 0 3 390.752 4.430 20 30 GIEDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455704676 822707773 /nfs/dbraw/zinc/70/77/73/822707773.db2.gz NWBGWHLMVAKASU-YJBOKZPZSA-N 0 3 382.895 4.363 20 30 GIEDHN C[C@@H]1[C@@H](NC(=O)Nc2ccc(CC#N)cc2Cl)CCN1Cc1ccccc1 ZINC000455733658 822716508 /nfs/dbraw/zinc/71/65/08/822716508.db2.gz NVOLVZVCTSISBO-BEFAXECRSA-N 0 3 382.895 4.191 20 30 GIEDHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)Nc2ccc(CC#N)cc2Cl)C1 ZINC000455734242 822716703 /nfs/dbraw/zinc/71/67/03/822716703.db2.gz OPUFZKBDGCKBBE-KRWDZBQOSA-N 0 3 396.922 4.392 20 30 GIEDHN C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000051156430 822748629 /nfs/dbraw/zinc/74/86/29/822748629.db2.gz SZKROOJNFOTGDL-ABAIWWIYSA-N 0 3 399.859 4.051 20 30 GIEDHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(C)(C)CCC#N)CC1 ZINC000455944124 822755081 /nfs/dbraw/zinc/75/50/81/822755081.db2.gz MQRPOBOFNMNVSD-UHFFFAOYSA-N 0 3 392.931 4.264 20 30 GIEDHN C=CC[C@@H](C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)c1ccccc1 ZINC000186181401 822858638 /nfs/dbraw/zinc/85/86/38/822858638.db2.gz DKXCKPFPOCSZER-JOCHJYFZSA-N 0 3 377.532 4.435 20 30 GIEDHN Cc1nc(CCCC(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cs1 ZINC000175113160 822884683 /nfs/dbraw/zinc/88/46/83/822884683.db2.gz AVZVXOPOUKBWKK-HNNXBMFYSA-N 0 3 396.299 4.429 20 30 GIEDHN COCCCOc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000175133893 822889389 /nfs/dbraw/zinc/88/93/89/822889389.db2.gz IRGGTYIJKHFZFZ-GOSISDBHSA-N 0 3 393.468 4.110 20 30 GIEDHN C=CCN(Cc1ccccc1)C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000061157799 823581157 /nfs/dbraw/zinc/58/11/57/823581157.db2.gz JKVNVZBHGNAKSH-UHFFFAOYSA-N 0 3 377.532 4.045 20 30 GIEDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCC1(C#N)CCCCC1 ZINC000411577255 823589003 /nfs/dbraw/zinc/58/90/03/823589003.db2.gz ZIDFAUYQCFPRSU-GOSISDBHSA-N 0 3 389.565 4.083 20 30 GIEDHN N#Cc1cccc(CNCc2ccc(Br)c(Br)c2)c1 ZINC000124515291 823602714 /nfs/dbraw/zinc/60/27/14/823602714.db2.gz SRUOCMOMZFHVJI-UHFFFAOYSA-N 0 3 380.083 4.373 20 30 GIEDHN C=C[C@H](CC(=O)Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1 ZINC000124650853 823614293 /nfs/dbraw/zinc/61/42/93/823614293.db2.gz JPMKRSNGWMDCMW-OAQYLSRUSA-N 0 3 378.516 4.189 20 30 GIEDHN COc1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)cc1-c1ccccn1 ZINC000190930066 823626187 /nfs/dbraw/zinc/62/61/87/823626187.db2.gz FAGSJQYNEIVKNT-KRWDZBQOSA-N 0 3 380.407 4.190 20 30 GIEDHN CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CCCC1 ZINC000063505351 823676726 /nfs/dbraw/zinc/67/67/26/823676726.db2.gz MCXHEHCLQFRLJK-UHFFFAOYSA-N 0 3 396.510 4.367 20 30 GIEDHN C[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1)c1cccc(C#N)c1 ZINC000461919630 823754928 /nfs/dbraw/zinc/75/49/28/823754928.db2.gz GKLPBRAWMPGGKP-XXBNENTESA-N 0 3 375.516 4.251 20 30 GIEDHN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000163915223 823760328 /nfs/dbraw/zinc/76/03/28/823760328.db2.gz IXFQNHGUTJMLJM-KGLIPLIRSA-N 0 3 379.526 4.382 20 30 GIEDHN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000163915316 823760344 /nfs/dbraw/zinc/76/03/44/823760344.db2.gz IXFQNHGUTJMLJM-KBPBESRZSA-N 0 3 379.526 4.382 20 30 GIEDHN CCOc1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cc1OC ZINC000064613971 823852789 /nfs/dbraw/zinc/85/27/89/823852789.db2.gz AEBKUBAIEMAOQA-UHFFFAOYSA-N 0 3 384.476 4.075 20 30 GIEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000167805566 823895763 /nfs/dbraw/zinc/89/57/63/823895763.db2.gz VSAYJIKFDUJPAZ-CQSZACIVSA-N 0 3 392.242 4.137 20 30 GIEDHN COc1ccccc1C[C@@H](C)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000170960451 824019677 /nfs/dbraw/zinc/01/96/77/824019677.db2.gz DUYBDPLYLSEGBN-KDOFPFPSSA-N 0 3 384.863 4.265 20 30 GIEDHN C[C@@H]1CN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)[C@@H](C)CN1 ZINC000414901649 824048009 /nfs/dbraw/zinc/04/80/09/824048009.db2.gz IXCXJIIYSUGOKH-VCBZYWHSSA-N 0 3 382.895 4.210 20 30 GIEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccc(C)c1 ZINC000120794988 823065574 /nfs/dbraw/zinc/06/55/74/823065574.db2.gz ZISZTQIBWLAADJ-OAHLLOKOSA-N 0 3 397.529 4.007 20 30 GIEDHN N#CCc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2c2cc3ccccc3[nH]2)cc1 ZINC000121022290 823104334 /nfs/dbraw/zinc/10/43/34/823104334.db2.gz XFIDLTMLXMNAEW-GBXCKJPGSA-N 0 3 389.499 4.201 20 30 GIEDHN Cc1ccc(NC(=O)NC[C@H]2CCCN([C@@H](C)c3cccc(C#N)c3)C2)cc1 ZINC000187666266 823109323 /nfs/dbraw/zinc/10/93/23/823109323.db2.gz RUBIDXONUDGCAG-AZUAARDMSA-N 0 3 376.504 4.461 20 30 GIEDHN C=CCCCN(C)[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1 ZINC000121144936 823126757 /nfs/dbraw/zinc/12/67/57/823126757.db2.gz FCRVLKXSDAMJDP-KRWDZBQOSA-N 0 3 395.503 4.173 20 30 GIEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000459369642 823174573 /nfs/dbraw/zinc/17/45/73/823174573.db2.gz ZICDJZLBTAGAMG-UHFFFAOYSA-N 0 3 386.521 4.003 20 30 GIEDHN CC(C)c1ccc(-c2ncc(CN(C)CCCc3[nH]nc(N)c3C#N)s2)cc1 ZINC000121450668 823187065 /nfs/dbraw/zinc/18/70/65/823187065.db2.gz YZIDICJWXBEZFN-UHFFFAOYSA-N 0 3 394.548 4.175 20 30 GIEDHN C=CCN1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000176532667 823231064 /nfs/dbraw/zinc/23/10/64/823231064.db2.gz YYIMZZVJWCZFOV-UHFFFAOYSA-N 0 3 375.472 4.039 20 30 GIEDHN C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C2CCCC2)CC1 ZINC000572138457 823288906 /nfs/dbraw/zinc/28/89/06/823288906.db2.gz WRPVYXWKZJAICC-UHFFFAOYSA-N 0 3 390.535 4.067 20 30 GIEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000122166040 823315563 /nfs/dbraw/zinc/31/55/63/823315563.db2.gz FKBAGYISBAUOFS-HNNXBMFYSA-N 0 3 388.402 4.176 20 30 GIEDHN CCCN(CC)c1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cn1 ZINC000122890388 823429619 /nfs/dbraw/zinc/42/96/19/823429619.db2.gz CBYCMYQRBJHDNM-OAHLLOKOSA-N 0 3 376.382 4.222 20 30 GIEDHN CN(C)c1cc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)c2ccccc2n1 ZINC000122895212 823430416 /nfs/dbraw/zinc/43/04/16/823430416.db2.gz KYHDIEGOBKKBAD-HNNXBMFYSA-N 0 3 384.361 4.205 20 30 GIEDHN Cc1ccc(CN(C)C)cc1NC(=O)c1occc1COc1cccc(C#N)c1 ZINC000177349740 823442465 /nfs/dbraw/zinc/44/24/65/823442465.db2.gz RPHVQXGMMXIRLW-UHFFFAOYSA-N 0 3 389.455 4.353 20 30 GIEDHN CCCN(CCC)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 ZINC000027271291 820217960 /nfs/dbraw/zinc/21/79/60/820217960.db2.gz PWQCFFAXRGYBIM-UHFFFAOYSA-N 0 3 382.508 4.035 20 30 GIEDHN CCN(CC)C(=O)C1(NCc2ccc(C#N)cc2C(F)(F)F)CCCCC1 ZINC000573294783 823477479 /nfs/dbraw/zinc/47/74/79/823477479.db2.gz QLYMQHWVKMVTTC-UHFFFAOYSA-N 0 3 381.442 4.238 20 30 GIEDHN C=CCCCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000460682492 823477527 /nfs/dbraw/zinc/47/75/27/823477527.db2.gz ZUAXYWHMAOUKAW-UHFFFAOYSA-N 0 3 394.357 4.021 20 30 GIEDHN N#CC1(CCCN[C@H](C(=O)Nc2ccccc2)c2ccccc2)CCOCC1 ZINC000410420908 823492317 /nfs/dbraw/zinc/49/23/17/823492317.db2.gz KTRCHBKBICUXTL-NRFANRHFSA-N 0 3 377.488 4.057 20 30 GIEDHN N#Cc1ccc([C@H](O)CN2CCC(c3nc4cc(Cl)ccc4o3)CC2)cc1 ZINC000123328418 823496913 /nfs/dbraw/zinc/49/69/13/823496913.db2.gz ORVUFABETUVWIR-LJQANCHMSA-N 0 3 381.863 4.266 20 30 GIEDHN N#CC(C(=O)CCCc1ccc(Br)s1)C(=O)Nc1ccccc1 ZINC000177598853 823499100 /nfs/dbraw/zinc/49/91/00/823499100.db2.gz PXTWWGCSSLWKLS-CQSZACIVSA-N 0 3 391.290 4.181 20 30 GIEDHN COc1cc(C#N)ccc1OCCN1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000189819664 823501804 /nfs/dbraw/zinc/50/18/04/823501804.db2.gz HXXRSJVGGLLMOQ-UHFFFAOYSA-N 0 3 391.471 4.275 20 30 GIEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2ccc(OC)cc2)c(OC)c1 ZINC000032768843 821006221 /nfs/dbraw/zinc/00/62/21/821006221.db2.gz WCLLCHHIAPGKIO-IRLDBZIGSA-N 0 3 397.515 4.009 20 30 GIEDHN N#Cc1ccc(NC(=O)CCN2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000060482666 823533063 /nfs/dbraw/zinc/53/30/63/823533063.db2.gz IVCULPHSZMFJIX-UHFFFAOYSA-N 0 3 395.890 4.135 20 30 GIEDHN N#CC(C(=O)c1csc(Br)c1)c1ccc(C(F)(F)F)cn1 ZINC000041552660 821208346 /nfs/dbraw/zinc/20/83/46/821208346.db2.gz QCPZNPGGPUVGHO-SECBINFHSA-N 0 3 375.169 4.414 20 30 GIEDHN CN1CCCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)CC1 ZINC000181500304 821855475 /nfs/dbraw/zinc/85/54/75/821855475.db2.gz BCDATLCCYMPQKS-LJQANCHMSA-N 0 3 382.895 4.165 20 30 GIEDHN C[C@H](NCc1ccc(NC(=O)c2ccco2)cc1)c1ccc(OCC#N)cc1 ZINC000181596308 821895957 /nfs/dbraw/zinc/89/59/57/821895957.db2.gz MUHVCVNQLJGGRI-INIZCTEOSA-N 0 3 375.428 4.285 20 30 GIEDHN Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCN(C)C)C(C)C ZINC000181791327 821993818 /nfs/dbraw/zinc/99/38/18/821993818.db2.gz LXJIYYQULZGEQF-UHFFFAOYSA-N 0 3 380.492 4.463 20 30 GIEDHN CC(C)C[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000181798809 821997186 /nfs/dbraw/zinc/99/71/86/821997186.db2.gz MPGBVBWCMSXKKF-OAQYLSRUSA-N 0 3 387.487 4.059 20 30 GIEDHN CCOC(=O)Nc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182004111 822059125 /nfs/dbraw/zinc/05/91/25/822059125.db2.gz BTONZZBLBKJTSF-UHFFFAOYSA-N 0 3 378.476 4.203 20 30 GIEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(NC(C)=O)cc2)ccc1OC ZINC000182136560 822111152 /nfs/dbraw/zinc/11/11/52/822111152.db2.gz CLMXYSFSGRWPGS-YWZLYKJASA-N 0 3 381.476 4.185 20 30 GIEDHN CC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1c(C)noc1C ZINC000182402664 822231027 /nfs/dbraw/zinc/23/10/27/822231027.db2.gz OYCBJLHXDFGMMP-INIZCTEOSA-N 0 3 386.521 4.173 20 30 GIEDHN C=C(Cl)COc1ccc([C@H](C)NCc2ccccc2CS(C)(=O)=O)cc1 ZINC000178302763 822365295 /nfs/dbraw/zinc/36/52/95/822365295.db2.gz MUOWXDGZVCEBJY-INIZCTEOSA-N 0 3 393.936 4.213 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3)cc2OC)CC1 ZINC000178834938 822414977 /nfs/dbraw/zinc/41/49/77/822414977.db2.gz PTKRRHHLEYDAPV-UHFFFAOYSA-N 0 3 381.476 4.259 20 30 GIEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](c1ccccc1)C1CC1 ZINC000179105683 822438580 /nfs/dbraw/zinc/43/85/80/822438580.db2.gz ZGWWZQORHSLEOR-HTAPYJJXSA-N 0 3 377.488 4.071 20 30 GIEDHN C=CCc1ccc(OC[C@@H](O)CN2CCc3sccc3[C@@H]2CC)c(OC)c1 ZINC000046866046 822525426 /nfs/dbraw/zinc/52/54/26/822525426.db2.gz LJYDRQHDPRNBPF-HKUYNNGSSA-N 0 3 387.545 4.234 20 30 GIEDHN N#Cc1c(NC(=O)CCNC2(c3cccc(F)c3)CC2)sc2c1CCCC2 ZINC000179683376 822526793 /nfs/dbraw/zinc/52/67/93/822526793.db2.gz YYJRNFXGJYSYPR-UHFFFAOYSA-N 0 3 383.492 4.245 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)sc1Cl ZINC000047011097 822537510 /nfs/dbraw/zinc/53/75/10/822537510.db2.gz BLCXUBLOANJRPK-UHFFFAOYSA-N 0 3 382.316 4.131 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@@H](C)Cc2ccc(Cl)cc2)c1 ZINC000179792933 822553997 /nfs/dbraw/zinc/55/39/97/822553997.db2.gz QHUYSRTYVHHKBJ-LIRRHRJNSA-N 0 3 384.863 4.265 20 30 GIEDHN COc1cccc(NC(=O)C(C#N)C(=O)C[C@H](C)Cc2ccc(Cl)cc2)c1 ZINC000179792917 822554016 /nfs/dbraw/zinc/55/40/16/822554016.db2.gz QHUYSRTYVHHKBJ-AUUYWEPGSA-N 0 3 384.863 4.265 20 30 GIEDHN CC(C)Oc1cncc(C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000179982055 822590070 /nfs/dbraw/zinc/59/00/70/822590070.db2.gz ATTCLOCKYGGJLI-MRXNPFEDSA-N 0 3 392.242 4.137 20 30 GIEDHN CN(c1ccccc1)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180008173 822594925 /nfs/dbraw/zinc/59/49/25/822594925.db2.gz SXYNIVFYFACOTB-UHFFFAOYSA-N 0 3 385.515 4.060 20 30 GIEDHN N#Cc1cccc(COc2cccc(CNCc3ccc(N4CCCC4)nc3)c2)c1 ZINC000047701287 822600994 /nfs/dbraw/zinc/60/09/94/822600994.db2.gz UNBYVKAUYCJAGZ-UHFFFAOYSA-N 0 3 398.510 4.422 20 30 GIEDHN C=CCC[C@H](NCC(=O)Nc1ccccc1N1CCCC1=O)c1ccccc1 ZINC000180047245 822603997 /nfs/dbraw/zinc/60/39/97/822603997.db2.gz SRWCICQCPXMGIG-IBGZPJMESA-N 0 3 377.488 4.049 20 30 GIEDHN N#Cc1ccccc1-c1ccc(CNCc2ccccc2N2CCOCC2)cc1 ZINC000180334073 822665227 /nfs/dbraw/zinc/66/52/27/822665227.db2.gz HZFAMCYFRDDUHO-UHFFFAOYSA-N 0 3 383.495 4.352 20 30 GIEDHN CCCc1c(C(=O)C(C#N)c2nc3ccccc3s2)[nH]c(C)c1C(=O)OC ZINC000048824840 822684704 /nfs/dbraw/zinc/68/47/04/822684704.db2.gz LOBHRHAFGMMPBU-CYBMUJFWSA-N 0 3 381.457 4.162 20 30 GIEDHN N#CC(C(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc(C(F)(F)F)cn1 ZINC000050205235 822721621 /nfs/dbraw/zinc/72/16/21/822721621.db2.gz QLTAXHHRQYXVCM-ZDUSSCGKSA-N 0 3 390.752 4.430 20 30 GIEDHN N#CC(C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 ZINC000050682476 822736110 /nfs/dbraw/zinc/73/61/10/822736110.db2.gz IYZGUYLTQLLCKC-KRWDZBQOSA-N 0 3 399.878 4.085 20 30 GIEDHN CCCC[C@H](N[C@@H]1CCC[C@H](C#N)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000185805796 822822997 /nfs/dbraw/zinc/82/29/97/822822997.db2.gz GDKIZKHZJSNBNL-JQVVWYNYSA-N 0 3 382.552 4.456 20 30 GIEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2Cl)C2CCCC2)CC1 ZINC000174776063 822835502 /nfs/dbraw/zinc/83/55/02/822835502.db2.gz OKLRENOHDGSOGW-UHFFFAOYSA-N 0 3 375.944 4.445 20 30 GIEDHN COc1ccc([C@H](C)CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000175112243 822884659 /nfs/dbraw/zinc/88/46/59/822884659.db2.gz QGWTURKRAMUXJR-WBMJQRKESA-N 0 3 388.826 4.329 20 30 GIEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCCc4c5ccccc5[nH]c43)C2=O)cc1 ZINC000569386114 822914356 /nfs/dbraw/zinc/91/43/56/822914356.db2.gz SFWPLMSDJCADNE-YADHBBJMSA-N 0 3 384.483 4.202 20 30 GIEDHN CN(C)Cc1ccccc1CNC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000055134624 822940207 /nfs/dbraw/zinc/94/02/07/822940207.db2.gz JJMKEBXLMWGFSA-UHFFFAOYSA-N 0 3 399.494 4.129 20 30 GIEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1Cl ZINC000060575826 823543973 /nfs/dbraw/zinc/54/39/73/823543973.db2.gz LQEMIXSMBYLCEJ-UHFFFAOYSA-N 0 3 376.287 4.069 20 30 GIEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccc(C)cc1 ZINC000123892485 823549541 /nfs/dbraw/zinc/54/95/41/823549541.db2.gz MACRYSRJBZWAMY-HNNXBMFYSA-N 0 3 397.529 4.007 20 30 GIEDHN C=C(C)Cn1c(CSc2ccc(C)cc2)nnc1N(C)[C@@H]1CCN(C2CC2)C1 ZINC000460963582 823551760 /nfs/dbraw/zinc/55/17/60/823551760.db2.gz YTWAFYLQRHKAEI-LJQANCHMSA-N 0 3 397.592 4.128 20 30 GIEDHN COc1ccc(C(=O)C2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)cc1 ZINC000124019415 823560462 /nfs/dbraw/zinc/56/04/62/823560462.db2.gz FQERURFESVIPBY-UHFFFAOYSA-N 0 3 391.515 4.140 20 30 GIEDHN CCOC(=O)c1csc(C2CCN(CCC3(C#N)CCCCC3)CC2)n1 ZINC000411634588 823592825 /nfs/dbraw/zinc/59/28/25/823592825.db2.gz LSJMRPRDHVTIDG-UHFFFAOYSA-N 0 3 375.538 4.363 20 30 GIEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccccc1 ZINC000411887820 823613000 /nfs/dbraw/zinc/61/30/00/823613000.db2.gz PLXSLICKDXJBIJ-NRFANRHFSA-N 0 3 390.487 4.297 20 30 GIEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000062368999 823630058 /nfs/dbraw/zinc/63/00/58/823630058.db2.gz APHGSNKDQCEEPM-UHFFFAOYSA-N 0 3 391.302 4.461 20 30 GIEDHN CC(C)n1cc(Br)cc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000190975438 823633143 /nfs/dbraw/zinc/63/31/43/823633143.db2.gz HDJLQHLXUXFJRG-CYBMUJFWSA-N 0 3 383.249 4.265 20 30 GIEDHN CN(CCC#N)c1ccc(CNc2ccccc2CN2CCSCC2)cc1 ZINC000125198344 823658699 /nfs/dbraw/zinc/65/86/99/823658699.db2.gz AQWZZNGTZPECHE-UHFFFAOYSA-N 0 3 380.561 4.197 20 30 GIEDHN N#Cc1ccccc1NC(=O)CCN(CCC(F)(F)F)Cc1ccccc1 ZINC000191242026 823662539 /nfs/dbraw/zinc/66/25/39/823662539.db2.gz NEZSKOVESMVSTQ-UHFFFAOYSA-N 0 3 375.394 4.341 20 30 GIEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H]1c1ccncc1)CCCCC2 ZINC000125482598 823679814 /nfs/dbraw/zinc/67/98/14/823679814.db2.gz MGMRQOPYORBUFG-LJQANCHMSA-N 0 3 394.544 4.449 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COCCc2ccccc2)cc1 ZINC000126275751 823826730 /nfs/dbraw/zinc/82/67/30/823826730.db2.gz APUHNELGVHABIZ-UTKZUKDTSA-N 0 3 378.472 4.107 20 30 GIEDHN COc1ccc([C@H](C)NCc2ccc(OC)c(OCCCC#N)c2)cc1OC ZINC000064614381 823852831 /nfs/dbraw/zinc/85/28/31/823852831.db2.gz CUYMVNISOKAROB-INIZCTEOSA-N 0 3 384.476 4.246 20 30 GIEDHN CC(C)Oc1cccc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000167805133 823895660 /nfs/dbraw/zinc/89/56/60/823895660.db2.gz HMLXZRHJVNRTKP-GFCCVEGCSA-N 0 3 392.242 4.137 20 30 GIEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2cccc(OC(C)C)n2)cc1 ZINC000168061697 823899497 /nfs/dbraw/zinc/89/94/97/823899497.db2.gz SMJUPIKGISLSCL-QAPCUYQASA-N 0 3 379.460 4.343 20 30 GIEDHN Cc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)s1 ZINC000126577700 823904077 /nfs/dbraw/zinc/90/40/77/823904077.db2.gz WQCVBDFLLCFQFY-GFCCVEGCSA-N 0 3 381.429 4.036 20 30 GIEDHN N#CC(C(=O)CCCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 ZINC000126972029 823992332 /nfs/dbraw/zinc/99/23/32/823992332.db2.gz JOHFVYSVBMZAFK-INIZCTEOSA-N 0 3 389.282 4.341 20 30 GIEDHN C=CCN1CCC(NC(=O)Nc2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000575841812 824009904 /nfs/dbraw/zinc/00/99/04/824009904.db2.gz JKTTXWKVMYIFET-UHFFFAOYSA-N 0 3 392.528 4.481 20 30 GIEDHN