smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N(C)Cc1cnc2n1CCN(c1cc(C#N)c3cc(Cl)ccc3n1)[C@@H]2C ZINC001164862937 721017307 /nfs/dbraw/zinc/01/73/07/721017307.db2.gz RWSNRMQNUXFVQE-OAHLLOKOSA-N 0 1 408.937 4.378 20 30 HIEDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc(C3(C#N)CCC3)cn2)CC1 ZINC001165022352 721840797 /nfs/dbraw/zinc/84/07/97/721840797.db2.gz RODVKKYLRIKRKI-UHFFFAOYSA-N 0 1 420.557 4.145 20 30 HIEDMN N#CCSc1ccccc1NC(=O)CN(Cc1ccccc1)CC1CCOCC1 ZINC000436356516 861683566 /nfs/dbraw/zinc/68/35/66/861683566.db2.gz GUONEXNWMJZECH-UHFFFAOYSA-N 0 1 409.555 4.170 20 30 HIEDMN Cc1ccc(C=Cc2n[nH]c(S[C@H](C)C(=O)N(CCC#N)c3ccccc3)n2)o1 ZINC000023223304 846673210 /nfs/dbraw/zinc/67/32/10/846673210.db2.gz WZXUZZAVKYORKZ-LPQFERQCSA-N 0 1 407.499 4.304 20 30 HIEDMN C=CCc1cc(C(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)cc(OC)c1OC ZINC000027342332 847286366 /nfs/dbraw/zinc/28/63/66/847286366.db2.gz AWBGYKZBCOPOAV-QFIPXVFZSA-N 0 1 424.541 4.008 20 30 HIEDMN N#Cc1ccc(CN2CCCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000028960655 847484753 /nfs/dbraw/zinc/48/47/53/847484753.db2.gz OROXOWLBYWTBFY-UHFFFAOYSA-N 0 1 417.340 4.011 20 30 HIEDMN Cc1ccc(N(CCC#N)C(=O)CSc2nc(-c3ccccc3F)n[nH]2)cc1C ZINC000029238872 847529027 /nfs/dbraw/zinc/52/90/27/847529027.db2.gz WONVLICBWLZSKZ-UHFFFAOYSA-N 0 1 409.490 4.267 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)cc1 ZINC000029984594 847664144 /nfs/dbraw/zinc/66/41/44/847664144.db2.gz LDMGLKDBAIVOQV-UHFFFAOYSA-N 0 1 413.521 4.485 20 30 HIEDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)Nc1cc(C#N)ccc1C ZINC000436519679 861833292 /nfs/dbraw/zinc/83/32/92/861833292.db2.gz RMMKRPVTQKLHAN-FQEVSTJZSA-N 0 1 417.513 4.111 20 30 HIEDMN N#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1Cl ZINC000037384241 848172620 /nfs/dbraw/zinc/17/26/20/848172620.db2.gz SFXJZNBBBSWNIL-UHFFFAOYSA-N 0 1 406.088 4.428 20 30 HIEDMN N#CC(C(=O)c1ccc2c(c1)OCC(=O)N2)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041514522 848225115 /nfs/dbraw/zinc/22/51/15/848225115.db2.gz UXPHVDZJJBBYDN-CQSZACIVSA-N 0 1 409.854 4.284 20 30 HIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)cc(OC)c1Br ZINC000041543257 848228437 /nfs/dbraw/zinc/22/84/37/848228437.db2.gz ZVAGBMSXBXBJCP-NSHDSACASA-N 0 1 401.216 4.098 20 30 HIEDMN CCOc1c(Br)cc(C(=O)C(C#N)c2nc3ccccc3o2)cc1OC ZINC000041547833 848229381 /nfs/dbraw/zinc/22/93/81/848229381.db2.gz WXSVQFIICUKGNR-GFCCVEGCSA-N 0 1 415.243 4.488 20 30 HIEDMN CCOc1c(Br)cc(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cc1OC ZINC000041547833 848229395 /nfs/dbraw/zinc/22/93/95/848229395.db2.gz WXSVQFIICUKGNR-GFCCVEGCSA-N 0 1 415.243 4.488 20 30 HIEDMN C[C@H]1Sc2ccc(C(O)=C(C#N)c3nc4ccccc4n3C(F)F)cc2NC1=O ZINC000041559645 848233789 /nfs/dbraw/zinc/23/37/89/848233789.db2.gz CZZKPXXZOMQEEV-PWSUYJOCSA-N 0 1 412.421 4.354 20 30 HIEDMN N#Cc1ccc(OC2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)c(F)c1 ZINC000436662062 861886825 /nfs/dbraw/zinc/88/68/25/861886825.db2.gz BGOGWGKXIHOXEH-UHFFFAOYSA-N 0 1 409.244 4.393 20 30 HIEDMN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1ccc2c(c1)NC(=O)CS2 ZINC000042777645 848353066 /nfs/dbraw/zinc/35/30/66/848353066.db2.gz HCIPROJPVNVRTB-UHFFFAOYSA-N 0 1 401.451 4.305 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000045156000 848641574 /nfs/dbraw/zinc/64/15/74/848641574.db2.gz XNDMJTRPNIGCNA-DEOSSOPVSA-N 0 1 414.509 4.158 20 30 HIEDMN C=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000045787173 848728426 /nfs/dbraw/zinc/72/84/26/848728426.db2.gz OOFPADRZTUWVRR-NHCUHLMSSA-N 0 1 407.558 4.194 20 30 HIEDMN CSc1ccc([C@@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054685 848977472 /nfs/dbraw/zinc/97/74/72/848977472.db2.gz RRGLMORBHOXIQQ-GOSISDBHSA-N 0 1 408.571 4.259 20 30 HIEDMN Cc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1F ZINC000048829117 849272327 /nfs/dbraw/zinc/27/23/27/849272327.db2.gz RRHSMNUUEOFJRM-CYBMUJFWSA-N 0 1 406.314 4.363 20 30 HIEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1F ZINC000048829117 849272337 /nfs/dbraw/zinc/27/23/37/849272337.db2.gz RRHSMNUUEOFJRM-CYBMUJFWSA-N 0 1 406.314 4.363 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000053962668 849782911 /nfs/dbraw/zinc/78/29/11/849782911.db2.gz XUXINLJXKDBMEG-NRFANRHFSA-N 0 1 406.555 4.013 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)c(C(F)(F)F)c1 ZINC000055546684 850050035 /nfs/dbraw/zinc/05/00/35/850050035.db2.gz HUPFQAGNDZIALK-UHFFFAOYSA-N 0 1 405.195 4.140 20 30 HIEDMN C[C@@H](N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ccccc1C#N ZINC000056153333 850258087 /nfs/dbraw/zinc/25/80/87/850258087.db2.gz PLDKFVBYHYOFLW-QZTJIDSGSA-N 0 1 412.493 4.488 20 30 HIEDMN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153283 850259006 /nfs/dbraw/zinc/25/90/06/850259006.db2.gz FUPKRYGVTAXOBM-MOPGFXCFSA-N 0 1 418.541 4.321 20 30 HIEDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000056196586 850279641 /nfs/dbraw/zinc/27/96/41/850279641.db2.gz RBBABJJZMGGJCU-KBPBESRZSA-N 0 1 412.515 4.475 20 30 HIEDMN N#Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000057121816 850553862 /nfs/dbraw/zinc/55/38/62/850553862.db2.gz SPORVKWJXKZPDH-UHFFFAOYSA-N 0 1 411.870 4.265 20 30 HIEDMN CCCN(CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccc(C#N)cc1 ZINC000061001752 851270003 /nfs/dbraw/zinc/27/00/03/851270003.db2.gz PRFBVWOBAPNYTQ-QHCPKHFHSA-N 0 1 421.541 4.151 20 30 HIEDMN CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CN3CCSCC3)c2)c1C#N ZINC000061571740 851406921 /nfs/dbraw/zinc/40/69/21/851406921.db2.gz PXNQDFQILFTFNT-UHFFFAOYSA-N 0 1 424.595 4.354 20 30 HIEDMN Cc1ccnn1-c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000063497360 851703433 /nfs/dbraw/zinc/70/34/33/851703433.db2.gz AKRFTQZTZGGGKK-UHFFFAOYSA-N 0 1 423.274 4.365 20 30 HIEDMN Cn1ccc([C@@H](NC2CCC(Oc3ncccc3C#N)CC2)c2ccc(Cl)cc2)n1 ZINC000437107201 862295505 /nfs/dbraw/zinc/29/55/05/862295505.db2.gz OZFUQRVTEBCUFC-AOMIVXANSA-N 0 1 421.932 4.409 20 30 HIEDMN C=C(C)CN(CC)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000096954697 852562281 /nfs/dbraw/zinc/56/22/81/852562281.db2.gz PLPPKEWSVCRIOQ-JOCHJYFZSA-N 0 1 405.542 4.323 20 30 HIEDMN O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000097357287 852604844 /nfs/dbraw/zinc/60/48/44/852604844.db2.gz CJFAHPCPSUCWTJ-IBGZPJMESA-N 0 1 419.447 4.176 20 30 HIEDMN N#CCCN(C(=O)CCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccccc1 ZINC000111038384 853191131 /nfs/dbraw/zinc/19/11/31/853191131.db2.gz GSTXSBLTQVIQHT-UHFFFAOYSA-N 0 1 415.497 4.496 20 30 HIEDMN CCCn1c(C)cc(C(=O)CON=C(N)c2ccc(OCc3cccnc3)cc2)c1C ZINC000116104328 853283357 /nfs/dbraw/zinc/28/33/57/853283357.db2.gz UVXUVXVJPKSLSJ-UHFFFAOYSA-N 0 1 420.513 4.009 20 30 HIEDMN C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1 ZINC000139613675 853415712 /nfs/dbraw/zinc/41/57/12/853415712.db2.gz NZAARYLWDDUNQM-HXUWFJFHSA-N 0 1 403.486 4.156 20 30 HIEDMN COc1ccc2[nH]cc(C3CCN([C@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000142131718 853488456 /nfs/dbraw/zinc/48/84/56/853488456.db2.gz CQAYQQNOROOCJR-MRXNPFEDSA-N 0 1 402.498 4.255 20 30 HIEDMN C=C(C)COc1cc(CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)ccc1OC ZINC000142956382 853505335 /nfs/dbraw/zinc/50/53/35/853505335.db2.gz HYXSAUJDXLWJQF-QFIPXVFZSA-N 0 1 410.514 4.057 20 30 HIEDMN COc1ccc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cc1OCCCC#N ZINC000147195277 853584014 /nfs/dbraw/zinc/58/40/14/853584014.db2.gz XEMCAHYFTKXZLZ-GOSISDBHSA-N 0 1 407.514 4.355 20 30 HIEDMN N#CCCn1cc(CNCc2cccc(NC(=O)C3CCC3)c2)c(-c2ccccc2)n1 ZINC000238138528 854147333 /nfs/dbraw/zinc/14/73/33/854147333.db2.gz QACKNNQGBMZBCD-UHFFFAOYSA-N 0 1 413.525 4.492 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000247648474 854159063 /nfs/dbraw/zinc/15/90/63/854159063.db2.gz LLRJZVRNOMWHNI-UHFFFAOYSA-N 0 1 402.325 4.142 20 30 HIEDMN CCN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249965680 854192436 /nfs/dbraw/zinc/19/24/36/854192436.db2.gz NPZOYMYISYZCDP-VGOFRKELSA-N 0 1 404.539 4.303 20 30 HIEDMN Cc1cc(C)c(NC(=O)[C@H](C)ON=Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000255496781 854217052 /nfs/dbraw/zinc/21/70/52/854217052.db2.gz ZTTKZIWBUQKDAE-KRWDZBQOSA-N 0 1 415.921 4.171 20 30 HIEDMN COc1ccc(-c2n[nH]c(Sc3cccc(F)c3C#N)n2)cc1Br ZINC000302651787 854597969 /nfs/dbraw/zinc/59/79/69/854597969.db2.gz GTJZYLGMCAXLDD-UHFFFAOYSA-N 0 1 405.252 4.405 20 30 HIEDMN COc1ccc([C@H](C)NCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1F ZINC000302764167 854626028 /nfs/dbraw/zinc/62/60/28/854626028.db2.gz SSDREDQTCCFVFR-ZDUSSCGKSA-N 0 1 401.507 4.326 20 30 HIEDMN N#CCOc1ccc(CC(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000303458370 854958642 /nfs/dbraw/zinc/95/86/42/854958642.db2.gz LFIYLOHBQBJYJC-UHFFFAOYSA-N 0 1 400.413 4.453 20 30 HIEDMN CN(C)[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(F)cc1 ZINC000303568500 855045580 /nfs/dbraw/zinc/04/55/80/855045580.db2.gz BDJUQYJQTZXMTJ-DEOSSOPVSA-N 0 1 417.484 4.309 20 30 HIEDMN C=CC[C@@H](CC)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 ZINC000410146400 855837976 /nfs/dbraw/zinc/83/79/76/855837976.db2.gz XNSDRUQHLLMFSX-GOSISDBHSA-N 0 1 416.543 4.143 20 30 HIEDMN Cc1c(C#N)cccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000410379500 855962188 /nfs/dbraw/zinc/96/21/88/855962188.db2.gz CRHQJBNKCCZUEO-UHFFFAOYSA-N 0 1 419.222 4.449 20 30 HIEDMN FC(F)(F)c1ccc(C#CCN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000427013921 856595690 /nfs/dbraw/zinc/59/56/90/856595690.db2.gz FEOLXUCGTBUCHM-UHFFFAOYSA-N 0 1 412.253 4.353 20 30 HIEDMN Cc1ncc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C#N ZINC000427098954 856636063 /nfs/dbraw/zinc/63/60/63/856636063.db2.gz DLGXCPLYMDKIGF-UHFFFAOYSA-N 0 1 409.311 4.100 20 30 HIEDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c(C(F)(F)F)c1 ZINC000427202747 856710304 /nfs/dbraw/zinc/71/03/04/856710304.db2.gz GVCQETSYSGCLHW-UHFFFAOYSA-N 0 1 402.369 4.304 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)cc1F ZINC000427260050 856741639 /nfs/dbraw/zinc/74/16/39/856741639.db2.gz ZSFCIZFNQQEBHK-UHFFFAOYSA-N 0 1 407.426 4.230 20 30 HIEDMN Cc1cc(CN2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000428810943 857355057 /nfs/dbraw/zinc/35/50/57/857355057.db2.gz YYVGVIUWLNOIKO-FQEVSTJZSA-N 0 1 405.889 4.025 20 30 HIEDMN CS(=O)(=O)CC[C@@H]1CCCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000428856477 857374126 /nfs/dbraw/zinc/37/41/26/857374126.db2.gz LSVYUIKDSFVXET-QHCPKHFHSA-N 0 1 410.583 4.176 20 30 HIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@H]1OCCc2sccc21 ZINC000429122931 857520987 /nfs/dbraw/zinc/52/09/87/857520987.db2.gz RVMGRBDHMGRMMP-VTJXTGGHSA-N 0 1 415.584 4.373 20 30 HIEDMN CCOc1c(Br)cc(Br)cc1CNCC1(CC#N)CC1 ZINC000430069744 858018915 /nfs/dbraw/zinc/01/89/15/858018915.db2.gz ZPHBKDSAYYKCKO-UHFFFAOYSA-N 0 1 402.130 4.394 20 30 HIEDMN C[C@@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430765096 858296289 /nfs/dbraw/zinc/29/62/89/858296289.db2.gz DUSWLHZAWUOWHM-UMEGOILYSA-N 0 1 406.526 4.296 20 30 HIEDMN CC1(C)C[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000432150406 859017077 /nfs/dbraw/zinc/01/70/77/859017077.db2.gz MHEJUTAJLGRLHL-HSZRJFAPSA-N 0 1 402.542 4.198 20 30 HIEDMN N#CCCN(C(=O)CN[C@H](c1ccccc1)C1(CO)CCC1)c1cccc(Cl)c1 ZINC000433317123 859635490 /nfs/dbraw/zinc/63/54/90/859635490.db2.gz KCFUPPWILAJTNF-JOCHJYFZSA-N 0 1 411.933 4.080 20 30 HIEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(COc4ccc(C#N)cc4)c3)c2C)o1 ZINC000434502263 860376543 /nfs/dbraw/zinc/37/65/43/860376543.db2.gz JKVWTEJXRSNVLI-UHFFFAOYSA-N 0 1 412.449 4.990 20 30 HIEDMN COc1cc([C@@H](C)N[C@H]2CCN(c3sccc3C#N)C2=O)ccc1OCC(C)C ZINC000434881806 860532879 /nfs/dbraw/zinc/53/28/79/860532879.db2.gz YAYSZSBHFCLJKS-QAPCUYQASA-N 0 1 413.543 4.119 20 30 HIEDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1C#N ZINC000435136597 860658321 /nfs/dbraw/zinc/65/83/21/860658321.db2.gz FHKRPWDYNIEHQR-UHFFFAOYSA-N 0 1 409.389 4.037 20 30 HIEDMN Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)N2CCCC2)o1 ZINC000438655094 864095626 /nfs/dbraw/zinc/09/56/26/864095626.db2.gz XIXCFHMWETZAJG-KRWDZBQOSA-N 0 1 406.408 4.437 20 30 HIEDMN Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)N2CCCC2)o1 ZINC000438655095 864096320 /nfs/dbraw/zinc/09/63/20/864096320.db2.gz XIXCFHMWETZAJG-QGZVFWFLSA-N 0 1 406.408 4.437 20 30 HIEDMN Cc1oc(NC(=O)CNC2(c3ccc(Br)cc3)CCC2)c(C#N)c1C ZINC000438734192 864218044 /nfs/dbraw/zinc/21/80/44/864218044.db2.gz KQZVUXNDRSRAAK-UHFFFAOYSA-N 0 1 402.292 4.138 20 30 HIEDMN CCCc1c(NC2CCN(Cc3cccnc3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439054803 864506731 /nfs/dbraw/zinc/50/67/31/864506731.db2.gz GJYJGQMEVNNZLD-UHFFFAOYSA-N 0 1 400.530 4.168 20 30 HIEDMN C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1 ZINC000439570974 864893579 /nfs/dbraw/zinc/89/35/79/864893579.db2.gz MTWBBDNLTPKIMA-UHFFFAOYSA-N 0 1 406.507 4.455 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579876 864901057 /nfs/dbraw/zinc/90/10/57/864901057.db2.gz HDNHFKYPBPOPRQ-UXHICEINSA-N 0 1 422.495 4.144 20 30 HIEDMN C[C@H](N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000468049618 881875595 /nfs/dbraw/zinc/87/55/95/881875595.db2.gz OLGLVXYIVVYVMC-GUYCJALGSA-N 0 1 405.395 4.168 20 30 HIEDMN CCC[C@H](NCc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440822048 865938269 /nfs/dbraw/zinc/93/82/69/865938269.db2.gz JZCIHEPCOQWWEG-QFIPXVFZSA-N 0 1 406.530 4.064 20 30 HIEDMN Cc1cccc(S(=O)(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1C#N ZINC000441324414 866396800 /nfs/dbraw/zinc/39/68/00/866396800.db2.gz QRQCZBYRMXMCPD-UHFFFAOYSA-N 0 1 405.479 4.228 20 30 HIEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441329818 866401670 /nfs/dbraw/zinc/40/16/70/866401670.db2.gz DTMXVXDBXLXXGR-WZONZLPQSA-N 0 1 408.521 4.364 20 30 HIEDMN N#Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1OC(F)(F)F ZINC000442231438 867264571 /nfs/dbraw/zinc/26/45/71/867264571.db2.gz UXNRPVHWKKMGAX-UHFFFAOYSA-N 0 1 410.295 4.276 20 30 HIEDMN Cc1c(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)cccc1N1CCNC1=O ZINC000442696094 867630471 /nfs/dbraw/zinc/63/04/71/867630471.db2.gz XVZZQICQHMMWLJ-CQSZACIVSA-N 0 1 410.886 4.278 20 30 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COc1cc(OC)c(OC)cc1CNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000047698053 849092700 /nfs/dbraw/zinc/09/27/00/849092700.db2.gz KCCDTIRXNSFKTK-UHFFFAOYSA-N 0 1 418.493 4.453 20 30 HIEDMN Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000049406612 849309574 /nfs/dbraw/zinc/30/95/74/849309574.db2.gz VECVWCQVRXRCAA-MRXNPFEDSA-N 0 1 408.458 4.345 20 30 HIEDMN C=CCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc(-c4ccccc4)cs3)cc2C1=O ZINC000051533378 849481151 /nfs/dbraw/zinc/48/11/51/849481151.db2.gz LXVHCTFFSUUGSZ-SFHVURJKSA-N 0 1 413.458 4.082 20 30 HIEDMN C=CCN1C(=O)c2ccc(C(=O)C(C#N)c3nc(-c4ccccc4)cs3)cc2C1=O ZINC000051533378 849481156 /nfs/dbraw/zinc/48/11/56/849481156.db2.gz LXVHCTFFSUUGSZ-SFHVURJKSA-N 0 1 413.458 4.082 20 30 HIEDMN N#CC(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc(-c2ccccc2)cs1 ZINC000051534364 849481542 /nfs/dbraw/zinc/48/15/42/849481542.db2.gz WCDPOPIDUHVJLE-GOSISDBHSA-N 0 1 415.434 4.394 20 30 HIEDMN CCOc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000051655578 849499308 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CCCc1c(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cnn1-c1cccc(C#N)c1 ZINC000440074545 865341508 /nfs/dbraw/zinc/34/15/08/865341508.db2.gz GOEJNEBXJVWHTL-UHFFFAOYSA-N 0 1 414.444 4.478 20 30 HIEDMN N#CCC[C@H](NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccc1 ZINC000440261142 865511877 /nfs/dbraw/zinc/51/18/77/865511877.db2.gz QULOOCYATLQZMO-NRFANRHFSA-N 0 1 414.513 4.406 20 30 HIEDMN N#Cc1c(NC(=O)CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)sc2c1CCCC2 ZINC000441223655 866301147 /nfs/dbraw/zinc/30/11/47/866301147.db2.gz AMKHIMDYHHDBSD-UHFFFAOYSA-N 0 1 424.526 4.400 20 30 HIEDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380708 866452367 /nfs/dbraw/zinc/45/23/67/866452367.db2.gz RBZUDVNGLGOORX-VGOFRKELSA-N 0 1 421.932 4.383 20 30 HIEDMN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441389894 866460601 /nfs/dbraw/zinc/46/06/01/866460601.db2.gz XRKCTUWSLSHCLX-UHFFFAOYSA-N 0 1 416.460 4.202 20 30 HIEDMN COc1c(Br)c(C)sc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC000442596957 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O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000097357288 852604688 /nfs/dbraw/zinc/60/46/88/852604688.db2.gz CJFAHPCPSUCWTJ-LJQANCHMSA-N 0 1 419.447 4.176 20 30 HIEDMN N#Cc1ccccc1OCC(=O)Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1 ZINC000109051126 852914267 /nfs/dbraw/zinc/91/42/67/852914267.db2.gz JEIHLGQYMRDFON-UHFFFAOYSA-N 0 1 400.413 4.182 20 30 HIEDMN CC(C)N(CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111046271 853193242 /nfs/dbraw/zinc/19/32/42/853193242.db2.gz IRBXLSXIYOKKCX-JOCHJYFZSA-N 0 1 404.539 4.131 20 30 HIEDMN C=C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000111075231 853198073 /nfs/dbraw/zinc/19/80/73/853198073.db2.gz NLNQIEIXMCFILI-UHFFFAOYSA-N 0 1 408.882 4.072 20 30 HIEDMN CN(C)C(=O)C[C@@H](NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000140572080 853447156 /nfs/dbraw/zinc/44/71/56/853447156.db2.gz ZZIAQWQTQHDFFI-RUZDIDTESA-N 0 1 413.521 4.446 20 30 HIEDMN Cc1nn(C)c2nc(C3CC3)cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)c12 ZINC000195557375 853682878 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HIEDMN Cc1cc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302172789 854542180 /nfs/dbraw/zinc/54/21/80/854542180.db2.gz MHZCKWRARPZDFM-UHFFFAOYSA-N 0 1 424.464 4.198 20 30 HIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)C[C@H]1C ZINC000303502846 854991855 /nfs/dbraw/zinc/99/18/55/854991855.db2.gz VIEACYBVDNTPNW-WOJBJXKFSA-N 0 1 422.598 4.226 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000303863067 855257929 /nfs/dbraw/zinc/25/79/29/855257929.db2.gz WUFQODYRZYZNDP-LOSJGSFVSA-N 0 1 416.569 4.187 20 30 HIEDMN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(Br)c1 ZINC000324869050 855400769 /nfs/dbraw/zinc/40/07/69/855400769.db2.gz IHVOSGLJLJIPIC-UHFFFAOYSA-N 0 1 419.222 4.449 20 30 HIEDMN N#Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Br)ccc1Cl ZINC000410363225 855951929 /nfs/dbraw/zinc/95/19/29/855951929.db2.gz FVQGWFCJVFJDFM-UHFFFAOYSA-N 0 1 406.088 4.428 20 30 HIEDMN Cc1cccc2nc(CCC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[nH]c21 ZINC000426167145 856149170 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N#Cc1c2c(sc1NC(=O)CCN1CCC(c3ncccc3Cl)CC1)CCC2 ZINC000429213871 857557214 /nfs/dbraw/zinc/55/72/14/857557214.db2.gz DTDQBGCXWWJMCZ-UHFFFAOYSA-N 0 1 414.962 4.365 20 30 HIEDMN C=CCOc1ccc(CN(Cc2cncs2)C2CCN(C(C)=O)CC2)cc1Cl ZINC000430194268 858076725 /nfs/dbraw/zinc/07/67/25/858076725.db2.gz ISDBDFHOGLRBOI-UHFFFAOYSA-N 0 1 419.978 4.374 20 30 HIEDMN Cc1c(C#N)cccc1NC(=O)N[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000432275102 859079270 /nfs/dbraw/zinc/07/92/70/859079270.db2.gz ALJGBPDPWNXQAM-GOSISDBHSA-N 0 1 402.420 4.282 20 30 HIEDMN N#Cc1cccc(-c2nnc(CN3CC[C@H](Cc4ccc(Br)cc4)C3)o2)c1 ZINC000433304900 859627802 /nfs/dbraw/zinc/62/78/02/859627802.db2.gz OJKACNHARUUFBM-QGZVFWFLSA-N 0 1 423.314 4.435 20 30 HIEDMN C[C@@H]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)CN1Cc1ccccc1 ZINC000467697277 881492306 /nfs/dbraw/zinc/49/23/06/881492306.db2.gz RMQXIDAJCDZPIM-GCJKJVERSA-N 0 1 415.493 4.123 20 30 HIEDMN COCCCn1c(=O)[nH]nc1SCCC(C#N)(c1ccccc1)c1ccccc1 ZINC000434642857 860443291 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20 30 HIEDMN CSc1ccccc1[C@H](C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000440612475 865838372 /nfs/dbraw/zinc/83/83/72/865838372.db2.gz CAOURAKGMLVQCU-HNNXBMFYSA-N 0 1 406.473 4.246 20 30 HIEDMN Cc1cccc(S(=O)(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)c1C#N ZINC000440822068 865938084 /nfs/dbraw/zinc/93/80/84/865938084.db2.gz CRKROBWDVYZFLH-UHFFFAOYSA-N 0 1 417.490 4.427 20 30 HIEDMN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)cc1Cl ZINC000440824756 865939142 /nfs/dbraw/zinc/93/91/42/865939142.db2.gz PQQBXIXVRLEFIW-GFCCVEGCSA-N 0 1 424.931 4.179 20 30 HIEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN2CCc3ccc(F)cc3C2)c1C#N ZINC000441006453 866077590 /nfs/dbraw/zinc/07/75/90/866077590.db2.gz BVKPQJGMNWXLAK-UHFFFAOYSA-N 0 1 420.488 4.144 20 30 HIEDMN C=CCOc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c1 ZINC000442331295 867330905 /nfs/dbraw/zinc/33/09/05/867330905.db2.gz FYKYMASIYCRTER-LJQANCHMSA-N 0 1 424.888 4.083 20 30 HIEDMN Cc1cc(-n2cncn2)ccc1C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000442799320 867679700 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C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1OC ZINC000022884967 846632999 /nfs/dbraw/zinc/63/29/99/846632999.db2.gz GDCVOOHOZFNIKO-XETPZZHUSA-N 0 1 410.514 4.210 20 30 HIEDMN Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cccc(OCc3cccc(C)c3)c2)n1 ZINC000025780879 847037218 /nfs/dbraw/zinc/03/72/18/847037218.db2.gz YYHKPVKGWKWKFP-FQEVSTJZSA-N 0 1 420.490 4.372 20 30 HIEDMN Cc1csc(C(C#N)C(=O)COC(=O)c2cccc(OCc3cccc(C)c3)c2)n1 ZINC000025780879 847037222 /nfs/dbraw/zinc/03/72/22/847037222.db2.gz YYHKPVKGWKWKFP-FQEVSTJZSA-N 0 1 420.490 4.372 20 30 HIEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831284 847628634 /nfs/dbraw/zinc/62/86/34/847628634.db2.gz BLRNJDDAJLSASG-ZWKOTPCHSA-N 0 1 420.488 4.482 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1 ZINC000029984974 847664106 /nfs/dbraw/zinc/66/41/06/847664106.db2.gz JAPCBVPPJVUPTK-UHFFFAOYSA-N 0 1 410.521 4.332 20 30 HIEDMN COc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000030509673 847724859 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HIEDMN COc1ccccc1-c1n[nH]c(NC(=O)Cc2ccc(F)c(Br)c2)n1 ZINC000054775528 849919949 /nfs/dbraw/zinc/91/99/49/849919949.db2.gz GQNRGADYQQDPHU-UHFFFAOYSA-N 0 1 405.227 4.213 20 30 HIEDMN C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000055648346 850093005 /nfs/dbraw/zinc/09/30/05/850093005.db2.gz URZXWHXDCSTSEX-AWEZNQCLSA-N 0 1 417.918 4.027 20 30 HIEDMN COc1ccc(COc2cccc(F)c2)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000063634767 851730888 /nfs/dbraw/zinc/73/08/88/851730888.db2.gz NRMWDMYJFMWTSG-UHFFFAOYSA-N 0 1 412.442 4.086 20 30 HIEDMN C=C(C)CN(CC)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000096954696 852562022 /nfs/dbraw/zinc/56/20/22/852562022.db2.gz PLPPKEWSVCRIOQ-QFIPXVFZSA-N 0 1 405.542 4.323 20 30 HIEDMN CCN([C@H]1CCN([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000109257710 852943034 /nfs/dbraw/zinc/94/30/34/852943034.db2.gz HBKOHOXFKHVYOW-LPHOPBHVSA-N 0 1 417.962 4.058 20 30 HIEDMN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2sc(C(C)(C)C)nc2C)C1=O ZINC000149601966 853627674 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N#Cc1ccc(CN2CCCN(c3nn4cc(C5CCCC5)nc4s3)CC2)cc1 ZINC000302421568 854570097 /nfs/dbraw/zinc/57/00/97/854570097.db2.gz JAMGHPNPQDGAAW-UHFFFAOYSA-N 0 1 406.559 4.032 20 30 HIEDMN COc1ccccc1C[C@H]1CCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000302950062 854692965 /nfs/dbraw/zinc/69/29/65/854692965.db2.gz DBGHIRPDUQCPDP-JOCHJYFZSA-N 0 1 405.542 4.266 20 30 HIEDMN Cc1ccc(-n2nc(C(=O)C(C#N)c3nc4ccccc4n3C)c3c2CCC3)c(F)c1 ZINC000303251188 854836234 /nfs/dbraw/zinc/83/62/34/854836234.db2.gz BJLOZNRDRIFXQT-INIZCTEOSA-N 0 1 413.456 4.185 20 30 HIEDMN Cc1ccc(-n2nc(C(=O)C(C#N)c3nc4ccccc4n3C)c3c2CCCC3)cc1 ZINC000303289248 854854320 /nfs/dbraw/zinc/85/43/20/854854320.db2.gz ALRBZRCLJUGZCD-LJQANCHMSA-N 0 1 409.493 4.436 20 30 HIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CN2CCN(C)CC2)cc1 ZINC000303343380 854883170 /nfs/dbraw/zinc/88/31/70/854883170.db2.gz MAWQGOJNZQCWIF-SFHVURJKSA-N 0 1 408.571 4.081 20 30 HIEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303361151 854891828 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HIEDMN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)cc1F ZINC000427717229 856921347 /nfs/dbraw/zinc/92/13/47/856921347.db2.gz FPRPCWKQUJHHHH-WFASDCNBSA-N 0 1 421.289 4.314 20 30 HIEDMN OC1(C(F)F)CCN(Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000428445339 857206251 /nfs/dbraw/zinc/20/62/51/857206251.db2.gz GEJPQOBXYCQTTG-GFCCVEGCSA-N 0 1 407.301 4.151 20 30 HIEDMN CS(=O)(=O)CC[C@H]1CCCCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000428856476 857373751 /nfs/dbraw/zinc/37/37/51/857373751.db2.gz LSVYUIKDSFVXET-HSZRJFAPSA-N 0 1 410.583 4.176 20 30 HIEDMN N#C[C@H](C(=O)c1cnc(OCc2ccccc2)cn1)c1nc2ccccc2n1C(F)F ZINC000429115307 857516586 /nfs/dbraw/zinc/51/65/86/857516586.db2.gz NQQMGRCDZMBZHP-OAHLLOKOSA-N 0 1 419.391 4.290 20 30 HIEDMN N#CC(C(=O)c1cnc(OCc2ccccc2)cn1)c1nc2ccccc2n1C(F)F ZINC000429115307 857516596 /nfs/dbraw/zinc/51/65/96/857516596.db2.gz NQQMGRCDZMBZHP-OAHLLOKOSA-N 0 1 419.391 4.290 20 30 HIEDMN C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1OCCc2sccc21 ZINC000429166845 857538664 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HIEDMN CC[C@H](C)C(=O)Nc1cccc(CNCc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433311827 859632169 /nfs/dbraw/zinc/63/21/69/859632169.db2.gz NYNAXJHMNHUFHE-SFHVURJKSA-N 0 1 416.529 4.133 20 30 HIEDMN Cn1cc(C#N)cc1C(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000433408719 859684775 /nfs/dbraw/zinc/68/47/75/859684775.db2.gz HAELIQQKHJPBMN-IBGZPJMESA-N 0 1 423.398 4.311 20 30 HIEDMN CC(C)[C@H](c1ccc(F)cc1)N(C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000434611666 860428222 /nfs/dbraw/zinc/42/82/22/860428222.db2.gz JLTWKJOPXBALHF-JOCHJYFZSA-N 0 1 405.477 4.151 20 30 HIEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)CCCCCO)sc2C1 ZINC000434683376 860458181 /nfs/dbraw/zinc/45/81/81/860458181.db2.gz GGJRRNYNARHIGL-MRXNPFEDSA-N 0 1 405.608 4.194 20 30 HIEDMN N#Cc1cc(F)ccc1NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000435173393 860677911 /nfs/dbraw/zinc/67/79/11/860677911.db2.gz LCESEQQLFBMLJA-KRWDZBQOSA-N 0 1 406.383 4.112 20 30 HIEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000435175036 860678618 /nfs/dbraw/zinc/67/86/18/860678618.db2.gz YCLNAYGPKZHLDT-UHFFFAOYSA-N 0 1 408.405 4.071 20 30 HIEDMN CC(=Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435334984 860745844 /nfs/dbraw/zinc/74/58/44/860745844.db2.gz DOFGUVRHFHIGFC-JLHYYAGUSA-N 0 1 404.857 4.416 20 30 HIEDMN CC(=Cc1csc(-c2cccc(Br)c2)n1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435338409 860748033 /nfs/dbraw/zinc/74/80/33/860748033.db2.gz CZECVVJJLWGOPZ-UXBLZVDNSA-N 0 1 413.300 4.397 20 30 HIEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435551748 860866984 /nfs/dbraw/zinc/86/69/84/860866984.db2.gz NOTIYVVYNZCDKI-UHFFFAOYSA-N 0 1 407.518 4.050 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)CC2)cc1 ZINC000438058884 863429533 /nfs/dbraw/zinc/42/95/33/863429533.db2.gz XWIZOVAMAPYYOW-AFARHQOCSA-N 0 1 422.960 4.375 20 30 HIEDMN N#Cc1cccnc1OC1CCC(NC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000438593462 864021671 /nfs/dbraw/zinc/02/16/71/864021671.db2.gz CDOBPUMZXNFGJN-UHFFFAOYSA-N 0 1 406.269 4.086 20 30 HIEDMN C=CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000438652640 864095039 /nfs/dbraw/zinc/09/50/39/864095039.db2.gz XUORLUOSUBBFFA-KRWDZBQOSA-N 0 1 407.514 4.189 20 30 HIEDMN C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000438667276 864124950 /nfs/dbraw/zinc/12/49/50/864124950.db2.gz BKBMDAZGDPZUQJ-UHFFFAOYSA-N 0 1 422.573 4.100 20 30 HIEDMN COc1ccc(C#N)cc1CNC1(c2ccc(Br)cc2)CCOCC1 ZINC000438726971 864209206 /nfs/dbraw/zinc/20/92/06/864209206.db2.gz VWKKQZORHYHATP-UHFFFAOYSA-N 0 1 401.304 4.125 20 30 HIEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438766532 864260449 /nfs/dbraw/zinc/26/04/49/864260449.db2.gz XMJDEKVSGLFMCO-UHFFFAOYSA-N 0 1 408.323 4.483 20 30 HIEDMN N#CCC[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000438943979 864418266 /nfs/dbraw/zinc/41/82/66/864418266.db2.gz AKOCGXPZKUSOBM-AWEZNQCLSA-N 0 1 414.270 4.225 20 30 HIEDMN CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc2c1CN([C@H](C)C(C)C)C2 ZINC000439601450 864923799 /nfs/dbraw/zinc/92/37/99/864923799.db2.gz MFFBMVDLKLYJME-GOSISDBHSA-N 0 1 412.578 4.164 20 30 HIEDMN C[C@@H](N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000468028496 881861491 /nfs/dbraw/zinc/86/14/91/881861491.db2.gz IBRUOSMEOPKQRT-CJNGLKHVSA-N 0 1 405.395 4.168 20 30 HIEDMN N#CCC[C@@H](NC(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1ccccc1 ZINC000440261143 865513037 /nfs/dbraw/zinc/51/30/37/865513037.db2.gz QULOOCYATLQZMO-OAQYLSRUSA-N 0 1 414.513 4.406 20 30 HIEDMN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000440308945 865573485 /nfs/dbraw/zinc/57/34/85/865573485.db2.gz ZYMJLSRLGDPPEG-UHFFFAOYSA-N 0 1 423.476 4.417 20 30 HIEDMN CCCC[C@@H](NCc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440819419 865933822 /nfs/dbraw/zinc/93/38/22/865933822.db2.gz MAYZXAGPYRUAEM-HSZRJFAPSA-N 0 1 420.557 4.454 20 30 HIEDMN COc1ccc(NC(=O)C2(NCC#Cc3ccccc3Cl)CCCC2)cc1OC ZINC000441266178 866340654 /nfs/dbraw/zinc/34/06/54/866340654.db2.gz TVRJNBVGFLODLN-UHFFFAOYSA-N 0 1 412.917 4.250 20 30 HIEDMN N#Cc1cccc(COc2cccc(CNCc3ccncc3OCC(F)F)c2)c1 ZINC000441388104 866459561 /nfs/dbraw/zinc/45/95/61/866459561.db2.gz YUJZEVKTFSKJQJ-UHFFFAOYSA-N 0 1 409.436 4.466 20 30 HIEDMN N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000441543979 866621217 /nfs/dbraw/zinc/62/12/17/866621217.db2.gz SFGLNVPKWNVKLR-MRXNPFEDSA-N 0 1 421.309 4.267 20 30 HIEDMN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441551279 866627814 /nfs/dbraw/zinc/62/78/14/866627814.db2.gz UZLQYPAVNGZKOT-UHFFFAOYSA-N 0 1 416.460 4.202 20 30 HIEDMN CNC(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000442672508 867606111 /nfs/dbraw/zinc/60/61/11/867606111.db2.gz QNTCTMXBOWHAMG-NFQTVLRUSA-N 0 1 419.550 4.461 20 30 HIEDMN CNC(=O)c1cccc(C(=O)C(C#N)c2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1 ZINC000442672508 867606122 /nfs/dbraw/zinc/60/61/22/867606122.db2.gz QNTCTMXBOWHAMG-NFQTVLRUSA-N 0 1 419.550 4.461 20 30 HIEDMN CS(=O)(=O)c1cccc([C@@H](NCC2CCC(C#N)CC2)c2ccc(F)cc2F)c1 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403.592 4.354 20 30 HIEDMN N#Cc1ccc(Oc2cccc(C(=O)NCCc3nc4ccc(F)cc4[nH]3)c2)cc1 ZINC000467468163 881282461 /nfs/dbraw/zinc/28/24/61/881282461.db2.gz JIEZXFYAQQIFRV-UHFFFAOYSA-N 0 1 400.413 4.338 20 30 HIEDMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)N[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469241146 883340775 /nfs/dbraw/zinc/34/07/75/883340775.db2.gz LTMZJYPYFCXQOP-TZMCWYRMSA-N 0 1 402.951 4.374 20 30 HIEDMN Cc1cc(C(=O)Nc2nc3ccc(C(F)(F)F)cc3[nH]2)nn1-c1cccc(C#N)c1 ZINC000503614401 912714231 /nfs/dbraw/zinc/71/42/31/912714231.db2.gz DOHJXOVQAOCHNY-UHFFFAOYSA-N 0 1 410.359 4.200 20 30 HIEDMN C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000469616561 883836616 /nfs/dbraw/zinc/83/66/16/883836616.db2.gz AHGIJTDJTQPAIH-AWEZNQCLSA-N 0 1 410.345 4.035 20 30 HIEDMN CN(C)[C@H](CNC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469741448 883897693 /nfs/dbraw/zinc/89/76/93/883897693.db2.gz IHKKXDPZOVUCSJ-CYBMUJFWSA-N 0 1 408.317 4.295 20 30 HIEDMN Cc1ccc(-c2ncc(CN[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)s2)cc1 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OFXHJOCHOZRAOH-HNNXBMFYSA-N 0 1 412.902 4.264 20 30 HIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)n1 ZINC000474449064 889315819 /nfs/dbraw/zinc/31/58/19/889315819.db2.gz TXQRQJQSDXLSOK-NSHDSACASA-N 0 1 407.289 4.290 20 30 HIEDMN COC(=O)C[C@@](C)(NCc1cccc(OCc2ccccc2C#N)c1)c1ccncc1 ZINC000475103411 889952325 /nfs/dbraw/zinc/95/23/25/889952325.db2.gz XZHSUFSBLZBQFK-RUZDIDTESA-N 0 1 415.493 4.100 20 30 HIEDMN C=CCOc1ccc(CN2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)cc1Cl ZINC000475630510 890571121 /nfs/dbraw/zinc/57/11/21/890571121.db2.gz GFQOSINWXAIJQS-GOSISDBHSA-N 0 1 404.942 4.083 20 30 HIEDMN C[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc2cccc(F)c2o1 ZINC000475715582 890653852 /nfs/dbraw/zinc/65/38/52/890653852.db2.gz FCXBWGWKBXKSAQ-AWEZNQCLSA-N 0 1 418.390 4.409 20 30 HIEDMN N#CC[C@H](CC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000475758342 890705440 /nfs/dbraw/zinc/70/54/40/890705440.db2.gz LXDKGVXDDHQYMG-OAQYLSRUSA-N 0 1 424.976 4.056 20 30 HIEDMN N#CCc1ccccc1S(=O)(=O)Nc1ccc(Br)c2ccccc12 ZINC000475805061 890740237 /nfs/dbraw/zinc/74/02/37/890740237.db2.gz OBOUCXSJJAHUEW-UHFFFAOYSA-N 0 1 401.285 4.469 20 30 HIEDMN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2CC#N)c1 ZINC000475806471 890741972 /nfs/dbraw/zinc/74/19/72/890741972.db2.gz BQMKAOAJUXGFEM-UHFFFAOYSA-N 0 1 405.479 4.114 20 30 HIEDMN C=CCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)c1 ZINC000476501882 891414357 /nfs/dbraw/zinc/41/43/57/891414357.db2.gz BDXGTVKAUBGQNB-UHFFFAOYSA-N 0 1 411.907 4.121 20 30 HIEDMN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000476534161 891447791 /nfs/dbraw/zinc/44/77/91/891447791.db2.gz KYCIIKPRWMGNKO-UHFFFAOYSA-N 0 1 421.400 4.157 20 30 HIEDMN N#Cc1cccc(C2(NC(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000476859586 891826001 /nfs/dbraw/zinc/82/60/01/891826001.db2.gz YBYNPUUODVGFTL-UHFFFAOYSA-N 0 1 408.933 4.165 20 30 HIEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000477247283 892198083 /nfs/dbraw/zinc/19/80/83/892198083.db2.gz ISKUPNOBAGJITJ-UHFFFAOYSA-N 0 1 422.510 4.293 20 30 HIEDMN C[C@@H](CSCc1ccccc1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479218176 894482011 /nfs/dbraw/zinc/48/20/11/894482011.db2.gz PSFZJZKBBXIUMN-FQEVSTJZSA-N 0 1 407.583 4.230 20 30 HIEDMN CC(C)(C)c1ccccc1OCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479222162 894484475 /nfs/dbraw/zinc/48/44/75/894484475.db2.gz UXOKTSSKNUMWNH-UHFFFAOYSA-N 0 1 405.542 4.037 20 30 HIEDMN N#CC1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CCN(Cc2ccccc2)CC1 ZINC000479249566 894514901 /nfs/dbraw/zinc/51/49/01/894514901.db2.gz RQJGZRZCQOQUDP-UHFFFAOYSA-N 0 1 406.917 4.038 20 30 HIEDMN O=S(=O)(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(F)cc1C(F)(F)F ZINC000479273514 894549100 /nfs/dbraw/zinc/54/91/00/894549100.db2.gz DOIXOZQAQHUTNG-UHFFFAOYSA-N 0 1 420.387 4.440 20 30 HIEDMN O=S(=O)(Nc1cccc(C#Cc2ccccn2)c1)c1ccccc1OC(F)(F)F ZINC000479305077 894592055 /nfs/dbraw/zinc/59/20/55/894592055.db2.gz GTGGUPMHTNQGTM-UHFFFAOYSA-N 0 1 418.396 4.181 20 30 HIEDMN C[C@@H](CSc1ccc(F)cc1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479316791 894605114 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HIEDMN N#CC1(NC(=O)CSc2nccc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000482703362 898303872 /nfs/dbraw/zinc/30/38/72/898303872.db2.gz BPUBXDZFVIIILG-UHFFFAOYSA-N 0 1 416.550 4.001 20 30 HIEDMN CCCN(CCC)C(=O)c1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000483208920 898859693 /nfs/dbraw/zinc/85/96/93/898859693.db2.gz BAPLLVBVWIDEKM-IBGZPJMESA-N 0 1 400.482 4.382 20 30 HIEDMN COc1ccc(-c2n[nH]c(CNc3cc(C)c(C#N)c4nc5ccccc5n43)n2)cc1 ZINC000505584850 914290846 /nfs/dbraw/zinc/29/08/46/914290846.db2.gz JCSVZILLNMHPDR-UHFFFAOYSA-N 0 1 409.453 4.073 20 30 HIEDMN COc1ccc(-c2nc(CNc3cc(C)c(C#N)c4nc5ccccc5n43)n[nH]2)cc1 ZINC000505584850 914290858 /nfs/dbraw/zinc/29/08/58/914290858.db2.gz JCSVZILLNMHPDR-UHFFFAOYSA-N 0 1 409.453 4.073 20 30 HIEDMN N#CC(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cnc2ccccc2n1 ZINC000483228709 898872174 /nfs/dbraw/zinc/87/21/74/898872174.db2.gz MTJIHOTXNHAMPQ-CYBMUJFWSA-N 0 1 409.327 4.189 20 30 HIEDMN Cc1c(I)cccc1C(=O)C(C#N)c1cnc2ccccc2n1 ZINC000483232839 898875796 /nfs/dbraw/zinc/87/57/96/898875796.db2.gz HUJYVWRFYQFWJM-ZDUSSCGKSA-N 0 1 413.218 4.033 20 30 HIEDMN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C ZINC000483910807 899578460 /nfs/dbraw/zinc/57/84/60/899578460.db2.gz FVZQVJYRKFKTDH-FQEVSTJZSA-N 0 1 403.567 4.084 20 30 HIEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H]2CCCc3c(O)cccc32)c1C#N ZINC000484327592 899881907 /nfs/dbraw/zinc/88/19/07/899881907.db2.gz OPRHUQPCICVNBT-JOCHJYFZSA-N 0 1 414.509 4.277 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000484938983 900309479 /nfs/dbraw/zinc/30/94/79/900309479.db2.gz ZEOVJTUFVXPLFP-NRFANRHFSA-N 0 1 415.459 4.329 20 30 HIEDMN C=CCn1c(C)cc(C(=O)CN(CCC)C2CCN(C(=O)c3ccccc3)CC2)c1C ZINC000485038941 900376700 /nfs/dbraw/zinc/37/67/00/900376700.db2.gz FWEJLLHZAGKMFV-UHFFFAOYSA-N 0 1 421.585 4.490 20 30 HIEDMN C=CCN(CC=C)C(=O)CN1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000485109003 900416269 /nfs/dbraw/zinc/41/62/69/900416269.db2.gz STMJMXLKYHEYBE-UHFFFAOYSA-N 0 1 411.571 4.199 20 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/nfs/dbraw/zinc/84/11/91/864841191.db2.gz MZBVBCIHEMEDBZ-INIZCTEOSA-N 0 1 400.885 4.384 20 30 HIEDMN CCCc1c(NC(=O)NCc2nc3ccc(C)cc3[nH]2)cnn1-c1cccc(C#N)c1 ZINC000439679064 865014597 /nfs/dbraw/zinc/01/45/97/865014597.db2.gz GEHUTPZHBFZQEB-UHFFFAOYSA-N 0 1 413.485 4.203 20 30 HIEDMN N#CCc1ccc(Oc2ccc(C(=O)NCCc3nnc(-c4ccccc4)[nH]3)cc2)cc1 ZINC000440305927 865569738 /nfs/dbraw/zinc/56/97/38/865569738.db2.gz PYFTXIVPUXJECT-UHFFFAOYSA-N 0 1 423.476 4.303 20 30 HIEDMN COc1cc(C#N)ccc1OCCN1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441076074 866168160 /nfs/dbraw/zinc/16/81/60/866168160.db2.gz QNRNOGSMLCZZTI-AWEZNQCLSA-N 0 1 411.449 4.301 20 30 HIEDMN C[C@@H](O)CN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441232721 866308638 /nfs/dbraw/zinc/30/86/38/866308638.db2.gz YTCOPNNFULZGEU-JKSUJKDBSA-N 0 1 410.905 4.076 20 30 HIEDMN C[C@@H](O)CN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441281224 866356979 /nfs/dbraw/zinc/35/69/79/866356979.db2.gz TUVJHMQAENDOBT-LSDHHAIUSA-N 0 1 420.340 4.118 20 30 HIEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441329811 866401421 /nfs/dbraw/zinc/40/14/21/866401421.db2.gz DTMXVXDBXLXXGR-FDDCHVKYSA-N 0 1 408.521 4.364 20 30 HIEDMN Cc1ccc([C@@H](Cn2ccnc2)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380704 866452235 /nfs/dbraw/zinc/45/22/35/866452235.db2.gz RBZUDVNGLGOORX-HTAPYJJXSA-N 0 1 421.932 4.383 20 30 HIEDMN N#Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)CC2)ccc1OC(F)(F)F ZINC000442217874 867241828 /nfs/dbraw/zinc/24/18/28/867241828.db2.gz QGNWFXMRKARJBA-UHFFFAOYSA-N 0 1 418.419 4.197 20 30 HIEDMN Cc1cccc2nc([C@H](C#N)C(=O)c3cccc(C(=O)N(C)CC(C)(C)C)c3)[nH]c21 ZINC000442733840 867655638 /nfs/dbraw/zinc/65/56/38/867655638.db2.gz ZRBDBJKBOYCZLZ-GOSISDBHSA-N 0 1 402.498 4.480 20 30 HIEDMN C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961565 867765640 /nfs/dbraw/zinc/76/56/40/867765640.db2.gz BJZFZRMPHSTPBI-FXAWDEMLSA-N 0 1 417.431 4.096 20 30 HIEDMN C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961565 867765652 /nfs/dbraw/zinc/76/56/52/867765652.db2.gz BJZFZRMPHSTPBI-FXAWDEMLSA-N 0 1 417.431 4.096 20 30 HIEDMN CC(C)[N@H+](Cc1ccc(NC(=O)c2ccc(C#N)c([O-])c2)cc1)C[C@@H]1CCCCO1 ZINC000443121272 867829944 /nfs/dbraw/zinc/82/99/44/867829944.db2.gz XMEMRHNQTWFAIM-QFIPXVFZSA-N 0 1 407.514 4.296 20 30 HIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)cc1O ZINC000443806405 868341511 /nfs/dbraw/zinc/34/15/11/868341511.db2.gz VUCYUMIXBGARGY-UHFFFAOYSA-N 0 1 400.257 4.402 20 30 HIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000444204403 868665200 /nfs/dbraw/zinc/66/52/00/868665200.db2.gz IGHBZLJKJLWLCN-IEBWSBKVSA-N 0 1 401.576 4.443 20 30 HIEDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1 ZINC000468383115 882326755 /nfs/dbraw/zinc/32/67/55/882326755.db2.gz LNALNELGLRNZDZ-UHFFFAOYSA-N 0 1 417.918 4.032 20 30 HIEDMN N#Cc1c(NC(=O)c2sc(Br)cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000447171041 871064503 /nfs/dbraw/zinc/06/45/03/871064503.db2.gz BPGGTYPDAZFXKB-UHFFFAOYSA-N 0 1 412.290 4.483 20 30 HIEDMN C=CCOc1cccc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)c1 ZINC000468518814 882527266 /nfs/dbraw/zinc/52/72/66/882527266.db2.gz QQVHHZFQMFAWSJ-CQSZACIVSA-N 0 1 411.907 4.119 20 30 HIEDMN Cc1ccc([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)N2CCCC2)cc1 ZINC000468839458 882884624 /nfs/dbraw/zinc/88/46/24/882884624.db2.gz DRRZKTFEWOGFHA-QFIPXVFZSA-N 0 1 400.482 4.089 20 30 HIEDMN C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067424 875178328 /nfs/dbraw/zinc/17/83/28/875178328.db2.gz NDHNOYMYGVBFNJ-YWZLYKJASA-N 0 1 401.432 4.071 20 30 HIEDMN OC[C@@H]1CN(Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870069 875898995 /nfs/dbraw/zinc/89/89/95/875898995.db2.gz YSQOLASWKMIVEW-AAEUAGOBSA-N 0 1 407.301 4.008 20 30 HIEDMN OC[C@@H]1CN(Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870071 875899224 /nfs/dbraw/zinc/89/92/24/875899224.db2.gz YSQOLASWKMIVEW-WCQYABFASA-N 0 1 407.301 4.008 20 30 HIEDMN COc1ccc2c(c1)CN(C[C@@H](O)COc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 ZINC000468915901 882975814 /nfs/dbraw/zinc/97/58/14/882975814.db2.gz JIFCYLKNVIFXBJ-BVAGGSTKSA-N 0 1 414.505 4.106 20 30 HIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463209007 876270286 /nfs/dbraw/zinc/27/02/86/876270286.db2.gz HPTRHBCKXVCIOD-JYRKZWEQSA-N 0 1 415.603 4.425 20 30 HIEDMN C=CCOc1cc(OC)ccc1C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000463504304 876564535 /nfs/dbraw/zinc/56/45/35/876564535.db2.gz YZSAZDKFRKLSDF-UHFFFAOYSA-N 0 1 414.933 4.308 20 30 HIEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000463511456 876574319 /nfs/dbraw/zinc/57/43/19/876574319.db2.gz GYZZIEUHTAVQET-UHFFFAOYSA-N 0 1 405.435 4.032 20 30 HIEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000463531391 876607687 /nfs/dbraw/zinc/60/76/87/876607687.db2.gz IIBGDKNNSQUJLS-UHFFFAOYSA-N 0 1 412.442 4.086 20 30 HIEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000463778709 876899371 /nfs/dbraw/zinc/89/93/71/876899371.db2.gz BJMVMKKPTLWSJG-UHFFFAOYSA-N 0 1 415.858 4.208 20 30 HIEDMN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000464416558 877623501 /nfs/dbraw/zinc/62/35/01/877623501.db2.gz JBFDHOXXXBJRCX-UHFFFAOYSA-N 0 1 407.495 4.004 20 30 HIEDMN N#C[C@@H](C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464418289 877624381 /nfs/dbraw/zinc/62/43/81/877624381.db2.gz AYJGNJYBARMQBK-LLVKDONJSA-N 0 1 401.247 4.100 20 30 HIEDMN N#CC(C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(C(F)(F)F)ccn1 ZINC000464418289 877624401 /nfs/dbraw/zinc/62/44/01/877624401.db2.gz AYJGNJYBARMQBK-LLVKDONJSA-N 0 1 401.247 4.100 20 30 HIEDMN Cc1nn(C)c(Sc2ccccc2)c1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000464518306 877740120 /nfs/dbraw/zinc/74/01/20/877740120.db2.gz ZBAMTYSOUOWMAV-MRXNPFEDSA-N 0 1 401.495 4.257 20 30 HIEDMN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503413091 912397844 /nfs/dbraw/zinc/39/78/44/912397844.db2.gz RVODMEGUQCPVOR-GOSISDBHSA-N 0 1 403.448 4.349 20 30 HIEDMN N#C[C@@H](C(=O)c1ccc2nncn2c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000503434665 912438036 /nfs/dbraw/zinc/43/80/36/912438036.db2.gz URPMBSLGVSPNMW-LEJIWSMMSA-N 0 1 403.511 4.144 20 30 HIEDMN N#CC(C(=O)c1ccc2nncn2c1)c1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000503434665 912438046 /nfs/dbraw/zinc/43/80/46/912438046.db2.gz URPMBSLGVSPNMW-LEJIWSMMSA-N 0 1 403.511 4.144 20 30 HIEDMN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437103 912445436 /nfs/dbraw/zinc/44/54/36/912445436.db2.gz WWYMYJYRQIKIKZ-MOPGFXCFSA-N 0 1 412.603 4.064 20 30 HIEDMN CN(C)C(=O)c1cccc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503530210 912582287 /nfs/dbraw/zinc/58/22/87/912582287.db2.gz BWXSIPPEIQHXSC-AWEZNQCLSA-N 0 1 411.433 4.280 20 30 HIEDMN CN(C)C(=O)c1cccc(C(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503530210 912582290 /nfs/dbraw/zinc/58/22/90/912582290.db2.gz BWXSIPPEIQHXSC-AWEZNQCLSA-N 0 1 411.433 4.280 20 30 HIEDMN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN(C)Cc3cc(Cl)cn3C)sc2C1 ZINC000466945545 880718291 /nfs/dbraw/zinc/71/82/91/880718291.db2.gz CNRYXAJMBYGRHG-CYBMUJFWSA-N 0 1 404.967 4.197 20 30 HIEDMN COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000469667535 883859352 /nfs/dbraw/zinc/85/93/52/883859352.db2.gz QSCDXPDHPHPRKN-KRWDZBQOSA-N 0 1 406.408 4.010 20 30 HIEDMN CN(C)[C@@H](CNC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469741449 883897319 /nfs/dbraw/zinc/89/73/19/883897319.db2.gz IHKKXDPZOVUCSJ-ZDUSSCGKSA-N 0 1 408.317 4.295 20 30 HIEDMN Cc1ccc(-c2n[nH]c(SCC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000503982067 912895919 /nfs/dbraw/zinc/89/59/19/912895919.db2.gz XQECNHXWWZSRJX-UHFFFAOYSA-N 0 1 415.522 4.060 20 30 HIEDMN C=CCn1c(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)n[nH]c1=O ZINC000470822679 885311464 /nfs/dbraw/zinc/31/14/64/885311464.db2.gz LOVUJGFKEQWFMW-SSDOTTSWSA-N 0 1 407.710 4.249 20 30 HIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000472265098 887079843 /nfs/dbraw/zinc/07/98/43/887079843.db2.gz XJTVFTLJFXBHNJ-MHZLTWQESA-N 0 1 409.533 4.500 20 30 HIEDMN N#C[C@H](C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2ccncc2)cs1 ZINC000473490352 888211475 /nfs/dbraw/zinc/21/14/75/888211475.db2.gz OLLAYYMMTZABJO-CYBMUJFWSA-N 0 1 413.384 4.362 20 30 HIEDMN N#CC(C(=O)c1ccc2nc(C(F)(F)F)cn2c1)c1nc(-c2ccncc2)cs1 ZINC000473490352 888211490 /nfs/dbraw/zinc/21/14/90/888211490.db2.gz OLLAYYMMTZABJO-CYBMUJFWSA-N 0 1 413.384 4.362 20 30 HIEDMN Cc1ccc(-c2cc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)n[nH]2)cc1C ZINC000473565575 888305898 /nfs/dbraw/zinc/30/58/98/888305898.db2.gz BYQVCGQWVDIDAH-UHFFFAOYSA-N 0 1 400.482 4.249 20 30 HIEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000473958562 888829300 /nfs/dbraw/zinc/82/93/00/888829300.db2.gz UWVMPHDNTZZNAV-UHFFFAOYSA-N 0 1 415.266 4.202 20 30 HIEDMN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234790 889078390 /nfs/dbraw/zinc/07/83/90/889078390.db2.gz SOYKSQWWMVPJCO-HSZRJFAPSA-N 0 1 422.573 4.406 20 30 HIEDMN COc1ccccc1[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)N1CCCCC1 ZINC000475025928 889878634 /nfs/dbraw/zinc/87/86/34/889878634.db2.gz ZIQVXKXTECMOPX-JTHBVZDNSA-N 0 1 405.542 4.426 20 30 HIEDMN CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475464475 890374271 /nfs/dbraw/zinc/37/42/71/890374271.db2.gz WEWTYPUTAQXUMH-PZJWPPBQSA-N 0 1 422.548 4.232 20 30 HIEDMN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475785577 890726690 /nfs/dbraw/zinc/72/66/90/890726690.db2.gz ITPITQDADDOYDJ-UHFFFAOYSA-N 0 1 407.776 4.126 20 30 HIEDMN COc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c(OCC(C)C)c1 ZINC000475819109 890753508 /nfs/dbraw/zinc/75/35/08/890753508.db2.gz UHKPAHZWCBMTIS-UHFFFAOYSA-N 0 1 421.541 4.018 20 30 HIEDMN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000476405265 891320786 /nfs/dbraw/zinc/32/07/86/891320786.db2.gz BEFNEGBNMVOHSJ-CYBMUJFWSA-N 0 1 418.540 4.143 20 30 HIEDMN N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000477911022 892987706 /nfs/dbraw/zinc/98/77/06/892987706.db2.gz QNICXGKZTHXTFI-OAQYLSRUSA-N 0 1 415.497 4.256 20 30 HIEDMN N#Cc1cccc(OCCCCC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000477911022 892987734 /nfs/dbraw/zinc/98/77/34/892987734.db2.gz QNICXGKZTHXTFI-OAQYLSRUSA-N 0 1 415.497 4.256 20 30 HIEDMN Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000479060013 894319972 /nfs/dbraw/zinc/31/99/72/894319972.db2.gz MMCXMBRCWTYNLU-UHFFFAOYSA-N 0 1 407.282 4.160 20 30 HIEDMN CC[C@@H](Oc1ccccc1Cl)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479208881 894472274 /nfs/dbraw/zinc/47/22/74/894472274.db2.gz BBXLSXZBDVZVQR-HXUWFJFHSA-N 0 1 411.933 4.172 20 30 HIEDMN Cc1ccc(SCCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1C ZINC000479237799 894500909 /nfs/dbraw/zinc/50/09/09/894500909.db2.gz CIQRUEYROVHYGC-UHFFFAOYSA-N 0 1 407.583 4.460 20 30 HIEDMN N#CC1(NC(=O)CSCc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1 ZINC000479253997 894518618 /nfs/dbraw/zinc/51/86/18/894518618.db2.gz WCHZAMCQLDBKJH-UHFFFAOYSA-N 0 1 413.974 4.248 20 30 HIEDMN Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1Br ZINC000479283851 894562898 /nfs/dbraw/zinc/56/28/98/894562898.db2.gz SCCVFXSWFOUFCY-UHFFFAOYSA-N 0 1 412.331 4.046 20 30 HIEDMN N#Cc1cccc(C2(NC(=O)NC[C@@H](c3cccc(Cl)c3)N3CCCC3)CC2)c1 ZINC000479285556 894564607 /nfs/dbraw/zinc/56/46/07/894564607.db2.gz UWSPJNIUUOZRBL-NRFANRHFSA-N 0 1 408.933 4.337 20 30 HIEDMN N#CC1(NC(=O)c2ccc(Oc3cccnc3)cc2)CCN(Cc2ccccc2)CC1 ZINC000479306593 894593323 /nfs/dbraw/zinc/59/33/23/894593323.db2.gz CBLVVELPDQGVIA-UHFFFAOYSA-N 0 1 412.493 4.162 20 30 HIEDMN Cc1ccc2c(CCC(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c[nH]c2c1 ZINC000479313035 894601193 /nfs/dbraw/zinc/60/11/93/894601193.db2.gz MMEKFQJBMAALRM-UHFFFAOYSA-N 0 1 400.526 4.084 20 30 HIEDMN C[C@H](CSc1ccc(F)cc1)C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000479316789 894604881 /nfs/dbraw/zinc/60/48/81/894604881.db2.gz RFAGWVDNKLQHHD-GOSISDBHSA-N 0 1 411.546 4.228 20 30 HIEDMN Cc1cc2occ(CC(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2cc1C ZINC000479318492 894606950 /nfs/dbraw/zinc/60/69/50/894606950.db2.gz ZVSWEIBRKHBWTA-UHFFFAOYSA-N 0 1 401.510 4.267 20 30 HIEDMN Cc1ccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)cc1NC(=O)C(C)(C)C ZINC000479485025 894806983 /nfs/dbraw/zinc/80/69/83/894806983.db2.gz TWTCOHPAGNQXHP-UHFFFAOYSA-N 0 1 405.907 4.306 20 30 HIEDMN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000479524123 894834204 /nfs/dbraw/zinc/83/42/04/894834204.db2.gz RQFCSISCISXWRX-UHFFFAOYSA-N 0 1 415.298 4.081 20 30 HIEDMN N#Cc1ccc(N2CCC[C@H](NCc3cc(Br)c(Cl)s3)C2=O)cc1 ZINC000480309760 895712468 /nfs/dbraw/zinc/71/24/68/895712468.db2.gz UARGITSNMWPWHW-HNNXBMFYSA-N 0 1 424.751 4.321 20 30 HIEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)n[nH]1 ZINC000480657415 896026414 /nfs/dbraw/zinc/02/64/14/896026414.db2.gz GCXROYCJSBBKGO-MRXNPFEDSA-N 0 1 403.486 4.230 20 30 HIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccccc2Oc2ccccc2C#N)n1 ZINC000480914920 896274517 /nfs/dbraw/zinc/27/45/17/896274517.db2.gz QGTRSLCECZZCKW-MRXNPFEDSA-N 0 1 417.446 4.474 20 30 HIEDMN 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HIEDMN Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000498641012 908081975 /nfs/dbraw/zinc/08/19/75/908081975.db2.gz XLCNRWKPWAPLOH-UHFFFAOYSA-N 0 1 411.571 4.046 20 30 HIEDMN N#C[C@@H](C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccncc2)cs1 ZINC000512943689 921430431 /nfs/dbraw/zinc/43/04/31/921430431.db2.gz SAJWLHHVVJMCQO-ZDUSSCGKSA-N 0 1 404.373 4.031 20 30 HIEDMN N#CC(C(=O)c1ccc(OCC(F)(F)F)nc1)c1nc(-c2ccncc2)cs1 ZINC000512943689 921430441 /nfs/dbraw/zinc/43/04/41/921430441.db2.gz SAJWLHHVVJMCQO-ZDUSSCGKSA-N 0 1 404.373 4.031 20 30 HIEDMN CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000500970934 910213368 /nfs/dbraw/zinc/21/33/68/910213368.db2.gz LNLCKWXRZUDOSM-HSZRJFAPSA-N 0 1 406.530 4.136 20 30 HIEDMN Cc1c[nH]c(=O)n1-c1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000501980839 910962246 /nfs/dbraw/zinc/96/22/46/910962246.db2.gz IHVIFUQCSIFRSV-LSDHHAIUSA-N 0 1 423.904 4.089 20 30 HIEDMN COc1ccc(Nc2ncccc2NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 ZINC000502394492 911378378 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C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000063497091 851703364 /nfs/dbraw/zinc/70/33/64/851703364.db2.gz XOKJTYKIBOJLPZ-NSHDSACASA-N 0 1 412.247 4.161 20 30 HIEDMN COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064479128 851909001 /nfs/dbraw/zinc/90/90/01/851909001.db2.gz ALFATIGPXBLHCK-UHFFFAOYSA-N 0 1 424.322 4.405 20 30 HIEDMN COc1ccc(C)cc1-n1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)n1 ZINC000142945846 853504503 /nfs/dbraw/zinc/50/45/03/853504503.db2.gz IBQXJARSRKWREY-CQSZACIVSA-N 0 1 400.360 4.093 20 30 HIEDMN COc1ccc2cc(C=CC(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)ccc2c1 ZINC000213990535 853828248 /nfs/dbraw/zinc/82/82/48/853828248.db2.gz ALFMREDRDGCYMO-KYLNKMBASA-N 0 1 406.463 4.046 20 30 HIEDMN COc1ccc2cc(C=CC(=O)OCC(=O)C(C#N)c3nc(C)cs3)ccc2c1 ZINC000213990535 853828251 /nfs/dbraw/zinc/82/82/51/853828251.db2.gz ALFMREDRDGCYMO-KYLNKMBASA-N 0 1 406.463 4.046 20 30 HIEDMN COc1ccc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C#N)cc1Br ZINC000216747240 853857884 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CN(C(=O)CN(Cc1cccc(-c2cccnc2)c1)C1CC1)C1(C#N)CCCCC1 ZINC000428648117 857289128 /nfs/dbraw/zinc/28/91/28/857289128.db2.gz IYKOZFWCYBQKOT-UHFFFAOYSA-N 0 1 402.542 4.398 20 30 HIEDMN N#CC(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000431259317 858536233 /nfs/dbraw/zinc/53/62/33/858536233.db2.gz OGLSNWCCYSRAKM-LBPRGKRZSA-N 0 1 402.229 4.457 20 30 HIEDMN COc1cc(C)c(S(=O)(=O)Nc2nc(C)c(SCC#N)s2)cc1C(C)C ZINC000432956431 859447582 /nfs/dbraw/zinc/44/75/82/859447582.db2.gz SGZIUMFTENSJAN-UHFFFAOYSA-N 0 1 411.574 4.308 20 30 HIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306094 859629498 /nfs/dbraw/zinc/62/94/98/859629498.db2.gz ROZIEWZSKJHNMQ-NVXWUHKLSA-N 0 1 412.331 4.212 20 30 HIEDMN N#CCCn1cc(CNCC#Cc2ccc(C(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433343245 859655558 /nfs/dbraw/zinc/65/55/58/859655558.db2.gz NPQZPJYFDQHNRD-UHFFFAOYSA-N 0 1 409.415 4.019 20 30 HIEDMN COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)n[nH]2)cc1OC ZINC000434321100 860280734 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HIEDMN C=CCN(CC1CCCCC1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000438668194 864123991 /nfs/dbraw/zinc/12/39/91/864123991.db2.gz FFNYFSFYWSOWMJ-UHFFFAOYSA-N 0 1 414.594 4.437 20 30 HIEDMN CC[C@@](C)(O)CN(CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000439277078 864695865 /nfs/dbraw/zinc/69/58/65/864695865.db2.gz RQBOFKXNEZSGLY-RUZDIDTESA-N 0 1 407.558 4.213 20 30 HIEDMN COc1ccc(C)cc1NC(=O)[C@H](NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000439624888 864949107 /nfs/dbraw/zinc/94/91/07/864949107.db2.gz OUDKAPJRDJUMCJ-XMMPIXPASA-N 0 1 415.493 4.224 20 30 HIEDMN N#Cc1ccc(Nc2cccc(C(=O)NCCc3nnc(-c4ccccc4)[nH]3)c2)cc1 ZINC000440305764 865566168 /nfs/dbraw/zinc/56/61/68/865566168.db2.gz PJHNGBYNGSCXKF-UHFFFAOYSA-N 0 1 408.465 4.059 20 30 HIEDMN C=CCOc1ccccc1CN(C(=O)CN(C)C1CCC1)c1ccc2c(c1)OCCO2 ZINC000441339780 866411400 /nfs/dbraw/zinc/41/14/00/866411400.db2.gz IHCILZRFGCJECO-UHFFFAOYSA-N 0 1 422.525 4.040 20 30 HIEDMN Cc1ccc([C@H](Cn2ccnc2)N[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380709 866452198 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HIEDMN N#CCCSc1ccccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000443360788 867927434 /nfs/dbraw/zinc/92/74/34/867927434.db2.gz SURUJUYFFOMPMN-UHFFFAOYSA-N 0 1 422.329 4.127 20 30 HIEDMN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657408 868260845 /nfs/dbraw/zinc/26/08/45/868260845.db2.gz NQINFUWKKOPGFM-ROUUACIJSA-N 0 1 420.488 4.482 20 30 HIEDMN Cc1ccc(-c2nnc([C@@H](C)N3CCCN(Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000468275963 882197403 /nfs/dbraw/zinc/19/74/03/882197403.db2.gz GIEKFBMAUMHTET-HXUWFJFHSA-N 0 1 415.541 4.494 20 30 HIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000444204408 868664851 /nfs/dbraw/zinc/66/48/51/868664851.db2.gz IGHBZLJKJLWLCN-PKOBYXMFSA-N 0 1 401.576 4.443 20 30 HIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C[C@H]1CCCO1)C1CCCC1 ZINC000444215021 868669787 /nfs/dbraw/zinc/66/97/87/868669787.db2.gz SAWDIDAYPCAGEE-IEBWSBKVSA-N 0 1 401.576 4.300 20 30 HIEDMN N#CC(CCN1CCN(c2ccc(F)cn2)CC1)(c1ccccc1)c1ccccc1 ZINC000444673087 868949731 /nfs/dbraw/zinc/94/97/31/868949731.db2.gz MMTTYJDRVDQCQB-UHFFFAOYSA-N 0 1 400.501 4.243 20 30 HIEDMN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 ZINC000468330647 882263721 /nfs/dbraw/zinc/26/37/21/882263721.db2.gz XAMVPJCFFYFPJI-SFHVURJKSA-N 0 1 424.545 4.446 20 30 HIEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)cc1 ZINC000447338962 871232979 /nfs/dbraw/zinc/23/29/79/871232979.db2.gz DFFSPJVNDVYKIN-UHFFFAOYSA-N 0 1 400.887 4.210 20 30 HIEDMN CCC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Oc2ncccc2C#N)c1 ZINC000448054983 871884733 /nfs/dbraw/zinc/88/47/33/871884733.db2.gz STIRNMUAXDBPBN-UHFFFAOYSA-N 0 1 407.451 4.139 20 30 HIEDMN N#Cc1ccc2ncc(CN3CCC[C@@H](Nc4cccc(Br)c4)C3)n2c1 ZINC000448359946 872308331 /nfs/dbraw/zinc/30/83/31/872308331.db2.gz QGLJRJWLTLORDK-GOSISDBHSA-N 0 1 410.319 4.045 20 30 HIEDMN C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000460381043 873021711 /nfs/dbraw/zinc/02/17/11/873021711.db2.gz PULOMIGGYPVSIV-UHFFFAOYSA-N 0 1 410.953 4.215 20 30 HIEDMN C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000460564142 873293113 /nfs/dbraw/zinc/29/31/13/873293113.db2.gz FDKDICZZYYMTPS-FQEVSTJZSA-N 0 1 415.969 4.071 20 30 HIEDMN COc1cccc([C@H](C)N2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)c1 ZINC000462815689 875857550 /nfs/dbraw/zinc/85/75/50/875857550.db2.gz JECLXZYYNRPMLQ-KRWDZBQOSA-N 0 1 404.489 4.446 20 30 HIEDMN C[C@H](NCC#Cc1ccc(F)cc1)c1ccc(Br)cc1OCCCO ZINC000463376464 876431541 /nfs/dbraw/zinc/43/15/41/876431541.db2.gz KRVAAMYEOJGHKO-HNNXBMFYSA-N 0 1 406.295 4.052 20 30 HIEDMN N#CC(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)c1cc(C(F)(F)F)ccn1 ZINC000464406023 877609484 /nfs/dbraw/zinc/60/94/84/877609484.db2.gz NEZXWJFBMYXNSD-MRXNPFEDSA-N 0 1 414.362 4.404 20 30 HIEDMN CCOc1c(Cl)cc(NS(=O)(=O)c2ccc(C#N)cc2OC)cc1Cl ZINC000464535658 877750930 /nfs/dbraw/zinc/75/09/30/877750930.db2.gz QINWFMBSFFGIBI-UHFFFAOYSA-N 0 1 401.271 4.073 20 30 HIEDMN CCOc1ccc(N(CCC#N)C(=O)CN2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464777542 878020529 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HIEDMN N#CCc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000475809014 890743344 /nfs/dbraw/zinc/74/33/44/890743344.db2.gz HAWVYQCJQOIXQA-UHFFFAOYSA-N 0 1 404.797 4.148 20 30 HIEDMN N#CC[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065211 890995344 /nfs/dbraw/zinc/99/53/44/890995344.db2.gz VQMQDNNPEYMEEL-CTNGQTDRSA-N 0 1 415.459 4.483 20 30 HIEDMN COc1ccccc1C[C@H]1CCCN1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000476230697 891154357 /nfs/dbraw/zinc/15/43/57/891154357.db2.gz KBYOJSROPNBOPG-JOCHJYFZSA-N 0 1 405.542 4.266 20 30 HIEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(-c2nc(C3CC3)no2)c1 ZINC000476410836 891324088 /nfs/dbraw/zinc/32/40/88/891324088.db2.gz XHOGVMQRIJOUHG-UHFFFAOYSA-N 0 1 414.874 4.248 20 30 HIEDMN C[C@H]1CN(Cc2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000478236678 893398346 /nfs/dbraw/zinc/39/83/46/893398346.db2.gz UOCZUCZABWRFMO-OALUTQOASA-N 0 1 415.541 4.180 20 30 HIEDMN N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)cc1 ZINC000505144176 913839973 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Cc1ccc(-c2n[nH]c(NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)n2)o1 ZINC000501236251 910392356 /nfs/dbraw/zinc/39/23/56/910392356.db2.gz RPFRPIOBVDCIGE-UHFFFAOYSA-N 0 1 424.892 4.143 20 30 HIEDMN CC[C@@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000502315470 911285624 /nfs/dbraw/zinc/28/56/24/911285624.db2.gz AFBAKVGDSWCRDO-QFIPXVFZSA-N 0 1 405.542 4.185 20 30 HIEDMN Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000502811143 911827739 /nfs/dbraw/zinc/82/77/39/911827739.db2.gz BGUZWGBSJJHGMV-UHFFFAOYSA-N 0 1 424.869 4.380 20 30 HIEDMN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ccc1NC(=O)c1ccco1 ZINC000502832070 911845390 /nfs/dbraw/zinc/84/53/90/911845390.db2.gz YHUFPXYVOAPCPJ-UHFFFAOYSA-N 0 1 415.858 4.166 20 30 HIEDMN CCCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502876701 911878550 /nfs/dbraw/zinc/87/85/50/911878550.db2.gz JHSVRLHTDUVQGX-HNNXBMFYSA-N 0 1 412.559 4.304 20 30 HIEDMN CCCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502919665 911906071 /nfs/dbraw/zinc/90/60/71/911906071.db2.gz PFDZLYIPSQYJLT-INIZCTEOSA-N 0 1 412.921 4.279 20 30 HIEDMN N#Cc1cccc(COc2ccc(NC(=O)c3cccc(-c4nnc[nH]4)c3)cc2F)c1 ZINC000502963598 911944423 /nfs/dbraw/zinc/94/44/23/911944423.db2.gz UYGTVEFZRWYBJZ-UHFFFAOYSA-N 0 1 413.412 4.314 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000503182502 912158263 /nfs/dbraw/zinc/15/82/63/912158263.db2.gz ICTDYLPYYOZHLI-UHFFFAOYSA-N 0 1 404.514 4.087 20 30 HIEDMN C[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)N1CCc2sccc2C1 ZINC000507096861 915867324 /nfs/dbraw/zinc/86/73/24/915867324.db2.gz BBIPSECWIWUTHB-CYBMUJFWSA-N 0 1 414.481 4.050 20 30 HIEDMN COc1ccc(CN2CCC(NC(=O)c3ccccc3C)CC2)cc1OCCCC#N ZINC000507158345 915897018 /nfs/dbraw/zinc/89/70/18/915897018.db2.gz CSXJGSBBEFOZHX-UHFFFAOYSA-N 0 1 421.541 4.081 20 30 HIEDMN COc1ccccc1C[C@@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218740 915969342 /nfs/dbraw/zinc/96/93/42/915969342.db2.gz LXGAGQPJXDIPDR-NLFFAJNJSA-N 0 1 407.558 4.183 20 30 HIEDMN COc1ccccc1C[C@H](C)N(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218738 915970637 /nfs/dbraw/zinc/97/06/37/915970637.db2.gz LXGAGQPJXDIPDR-CPJSRVTESA-N 0 1 407.558 4.183 20 30 HIEDMN Cc1c([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000507472756 916242094 /nfs/dbraw/zinc/24/20/94/916242094.db2.gz FUHGACCFFHJLJN-HJPURHCSSA-N 0 1 417.488 4.038 20 30 HIEDMN CN(CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507584630 916338779 /nfs/dbraw/zinc/33/87/79/916338779.db2.gz PGRMOAZGEUERGO-UHFFFAOYSA-N 0 1 407.905 4.105 20 30 HIEDMN CC1(C)CC(=O)c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)ccc2O1 ZINC000507587776 916342741 /nfs/dbraw/zinc/34/27/41/916342741.db2.gz XBUUWVUHLUZHEY-UHFFFAOYSA-N 0 1 424.400 4.122 20 30 HIEDMN N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000508069172 916892215 /nfs/dbraw/zinc/89/22/15/916892215.db2.gz PXTWFKCITQJBLE-INIZCTEOSA-N 0 1 413.808 4.275 20 30 HIEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000508071612 916893454 /nfs/dbraw/zinc/89/34/54/916893454.db2.gz NQUALDPUIKISBV-QZTJIDSGSA-N 0 1 423.561 4.046 20 30 HIEDMN C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCC2)CC1 ZINC000508835328 917587716 /nfs/dbraw/zinc/58/77/16/917587716.db2.gz YTVXEJNZILWCFA-UHFFFAOYSA-N 0 1 422.360 4.024 20 30 HIEDMN C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCN(C(C)C)CC1 ZINC000508866377 917619898 /nfs/dbraw/zinc/61/98/98/917619898.db2.gz ZRZJRSGVQSRZNW-UHFFFAOYSA-N 0 1 408.575 4.093 20 30 HIEDMN CC(C)(C(=O)N1CCC(c2nnc(-c3ccccc3)[nH]2)CC1)c1cc(F)cc(C#N)c1 ZINC000509036066 917790534 /nfs/dbraw/zinc/79/05/34/917790534.db2.gz DPQZIUSWKSWWTI-UHFFFAOYSA-N 0 1 417.488 4.166 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1Cl ZINC000509384380 918050489 /nfs/dbraw/zinc/05/04/89/918050489.db2.gz LXABRGSBBCZGJL-UHFFFAOYSA-N 0 1 422.691 4.323 20 30 HIEDMN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cc1F ZINC000509567443 918217659 /nfs/dbraw/zinc/21/76/59/918217659.db2.gz JMCANXBFLKQSPY-UHFFFAOYSA-N 0 1 413.430 4.003 20 30 HIEDMN C=CCSCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000510276811 918802580 /nfs/dbraw/zinc/80/25/80/918802580.db2.gz HCWMRAXGAOACGP-GOSISDBHSA-N 0 1 405.907 4.437 20 30 HIEDMN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000511272933 919870300 /nfs/dbraw/zinc/87/03/00/919870300.db2.gz RYQLPPRNZFJQKI-UHFFFAOYSA-N 0 1 400.378 4.045 20 30 HIEDMN COc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc(OC)c1C(C)C ZINC000511485527 920094159 /nfs/dbraw/zinc/09/41/59/920094159.db2.gz ZBDWCQUCFZHROE-UHFFFAOYSA-N 0 1 421.541 4.115 20 30 HIEDMN C=CCSc1ccccc1NC(=O)CN1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511680679 920345098 /nfs/dbraw/zinc/34/50/98/920345098.db2.gz JIKQOBNZWRKUCA-KCZVDYSFSA-N 0 1 408.567 4.408 20 30 HIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3ccc(C(=O)N(C)C)nc3C)n2)cc1 ZINC000511754865 920433989 /nfs/dbraw/zinc/43/39/89/920433989.db2.gz JWBRWNSDQANQNZ-QGZVFWFLSA-N 0 1 404.495 4.014 20 30 HIEDMN Cc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(C(=O)N(C)C)nc3C)n2)cc1 ZINC000511754865 920434006 /nfs/dbraw/zinc/43/40/06/920434006.db2.gz JWBRWNSDQANQNZ-QGZVFWFLSA-N 0 1 404.495 4.014 20 30 HIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cccc4c3O[C@H](C)C(=O)N4)n2)cc1 ZINC000511757090 920437384 /nfs/dbraw/zinc/43/73/84/920437384.db2.gz NZAAYOKEVMXZSU-CJNGLKHVSA-N 0 1 403.463 4.328 20 30 HIEDMN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4c3O[C@H](C)C(=O)N4)n2)cc1 ZINC000511757090 920437393 /nfs/dbraw/zinc/43/73/93/920437393.db2.gz NZAAYOKEVMXZSU-CJNGLKHVSA-N 0 1 403.463 4.328 20 30 HIEDMN Cc1cc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000511760437 920443680 /nfs/dbraw/zinc/44/36/80/920443680.db2.gz XIEADOAEPUDXBC-BBRMVZONSA-N 0 1 418.360 4.142 20 30 HIEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000511888755 920624655 /nfs/dbraw/zinc/62/46/55/920624655.db2.gz YWOKBEZCAUXENW-SECBINFHSA-N 0 1 413.680 4.226 20 30 HIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(Cl)c(Br)c2)n1 ZINC000511888755 920624668 /nfs/dbraw/zinc/62/46/68/920624668.db2.gz YWOKBEZCAUXENW-SECBINFHSA-N 0 1 413.680 4.226 20 30 HIEDMN C=CCOc1cccc(CN[C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000512226831 920976604 /nfs/dbraw/zinc/97/66/04/920976604.db2.gz PMOLIFNVBHDZKD-LJQANCHMSA-N 0 1 406.404 4.045 20 30 HIEDMN COc1ccc(CN2CCC(NC(=O)C3CCCCC3)CC2)cc1OCCCC#N ZINC000512347562 921093036 /nfs/dbraw/zinc/09/30/36/921093036.db2.gz UAGKPJSFEIUEGF-UHFFFAOYSA-N 0 1 413.562 4.039 20 30 HIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(CCO)[C@H]1CCCc2ccccc21 ZINC000512348744 921093538 /nfs/dbraw/zinc/09/35/38/921093538.db2.gz WWBXPMWFQUYXTQ-AVRDEDQJSA-N 0 1 423.582 4.391 20 30 HIEDMN N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000513450424 921816628 /nfs/dbraw/zinc/81/66/28/921816628.db2.gz AOAQBWVNGWVLJI-JOCHJYFZSA-N 0 1 415.493 4.297 20 30 HIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000513655234 921975757 /nfs/dbraw/zinc/97/57/57/921975757.db2.gz PFLMOFZMBHGZPA-AWEZNQCLSA-N 0 1 420.270 4.216 20 30 HIEDMN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@@H]1CCc1ccccc1 ZINC000515502209 923137386 /nfs/dbraw/zinc/13/73/86/923137386.db2.gz YDGRKAGQIDCVEM-JOCHJYFZSA-N 0 1 422.573 4.049 20 30 HIEDMN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000515610961 923214296 /nfs/dbraw/zinc/21/42/96/923214296.db2.gz ULAKRNBYEAAGNI-UHFFFAOYSA-N 0 1 420.416 4.180 20 30 HIEDMN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4cccs4)n[nH]3)s2)cc1 ZINC000515934652 923448951 /nfs/dbraw/zinc/44/89/51/923448951.db2.gz HDKGNWMARSPBIG-UHFFFAOYSA-N 0 1 424.536 4.406 20 30 HIEDMN COC(=O)COc1cccc(C(=O)[C@@H](C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000516465008 923745955 /nfs/dbraw/zinc/74/59/55/923745955.db2.gz JLXLJAREFXGANI-GOSISDBHSA-N 0 1 406.463 4.160 20 30 HIEDMN COC(=O)COc1cccc(C(=O)C(C#N)c2nc(-c3ccc(C)cc3)cs2)c1 ZINC000516465008 923745974 /nfs/dbraw/zinc/74/59/74/923745974.db2.gz JLXLJAREFXGANI-GOSISDBHSA-N 0 1 406.463 4.160 20 30 HIEDMN C[C@@H](NCC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000517591964 926702402 /nfs/dbraw/zinc/70/24/02/926702402.db2.gz OELHCYVQAKMIJR-BEFAXECRSA-N 0 1 404.495 4.241 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc(C)nc4c3c(C)nn4C)n2)cc1 ZINC000517801073 926842150 /nfs/dbraw/zinc/84/21/50/926842150.db2.gz WZPWANQDPRLJLK-KRWDZBQOSA-N 0 1 417.494 4.207 20 30 HIEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc(C)nc4c3c(C)nn4C)n2)cc1 ZINC000517801073 926842156 /nfs/dbraw/zinc/84/21/56/926842156.db2.gz WZPWANQDPRLJLK-KRWDZBQOSA-N 0 1 417.494 4.207 20 30 HIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000517919037 926890095 /nfs/dbraw/zinc/89/00/95/926890095.db2.gz YRCLYRPYXBOREW-GFCCVEGCSA-N 0 1 401.444 4.016 20 30 HIEDMN CCOC(=O)c1csc([C@H](C#N)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000517919037 926890096 /nfs/dbraw/zinc/89/00/96/926890096.db2.gz YRCLYRPYXBOREW-GFCCVEGCSA-N 0 1 401.444 4.016 20 30 HIEDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000518241809 927102491 /nfs/dbraw/zinc/10/24/91/927102491.db2.gz IAKZTDXMQYWNBR-CYBMUJFWSA-N 0 1 405.501 4.352 20 30 HIEDMN COc1ccc(Cn2cc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C(F)F)cn2)cc1 ZINC000518852650 927557892 /nfs/dbraw/zinc/55/78/92/927557892.db2.gz HKXRCBXYLLBOJT-QGZVFWFLSA-N 0 1 421.407 4.175 20 30 HIEDMN COc1ccc(Cn2cc(C(=O)C(C#N)c3nc4ccccc4n3C(F)F)cn2)cc1 ZINC000518852650 927557896 /nfs/dbraw/zinc/55/78/96/927557896.db2.gz HKXRCBXYLLBOJT-QGZVFWFLSA-N 0 1 421.407 4.175 20 30 HIEDMN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000519879956 928114945 /nfs/dbraw/zinc/11/49/45/928114945.db2.gz UDYANPCEFUOLQR-DEOSSOPVSA-N 0 1 418.541 4.102 20 30 HIEDMN N#Cc1cccc(OCCCCC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000521092248 928988029 /nfs/dbraw/zinc/98/80/29/928988029.db2.gz OLQYBVOBZSXCAM-OAQYLSRUSA-N 0 1 404.470 4.474 20 30 HIEDMN Cc1ccc(-c2nc3cc(F)ccc3n2C)cc1NS(=O)(=O)c1ccccc1C#N ZINC000524955631 929918434 /nfs/dbraw/zinc/91/84/34/929918434.db2.gz XUZWJRFQCIUPHT-UHFFFAOYSA-N 0 1 420.469 4.360 20 30 HIEDMN C=CCOc1cccc(CNCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000525184053 930079635 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30 HIEDMN Cn1ccc([C@H](NC2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)n1 ZINC000565320267 945809131 /nfs/dbraw/zinc/80/91/31/945809131.db2.gz YZNREZMIJBWOMO-HSZRJFAPSA-N 0 1 405.933 4.293 20 30 HIEDMN C[C@H](NCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000565367845 945817701 /nfs/dbraw/zinc/81/77/01/945817701.db2.gz IWAGCSDIHKQKNL-HNAYVOBHSA-N 0 1 404.495 4.241 20 30 HIEDMN CC(C)Oc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1Cl ZINC000565553329 945846691 /nfs/dbraw/zinc/84/66/91/945846691.db2.gz BCZWQVBDWOGRKT-HRAATJIYSA-N 0 1 411.933 4.451 20 30 HIEDMN N#Cc1cccc(OCc2cccc(C(=O)Nc3ccc(F)c(-c4nc[nH]n4)c3)c2)c1 ZINC000567458964 946343711 /nfs/dbraw/zinc/34/37/11/946343711.db2.gz CFNUQYWMMPHEGI-UHFFFAOYSA-N 0 1 413.412 4.314 20 30 HIEDMN N#Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cc1F ZINC000570327722 947203594 /nfs/dbraw/zinc/20/35/94/947203594.db2.gz ATPYEMXSVDWJMS-UHFFFAOYSA-N 0 1 423.185 4.279 20 30 HIEDMN C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000570466706 947254101 /nfs/dbraw/zinc/25/41/01/947254101.db2.gz GAOIXHAUPXQODS-DEOSSOPVSA-N 0 1 407.558 4.272 20 30 HIEDMN C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000570466707 947254487 /nfs/dbraw/zinc/25/44/87/947254487.db2.gz GAOIXHAUPXQODS-XMMPIXPASA-N 0 1 407.558 4.272 20 30 HIEDMN Cc1cc(N2CC[C@@H](N[C@H]3CCc4ccc(C#N)cc43)C2=O)ccc1Br ZINC000574442172 948443660 /nfs/dbraw/zinc/44/36/60/948443660.db2.gz IYJSPRXYWCEGNR-VQTJNVASSA-N 0 1 410.315 4.012 20 30 HIEDMN Cc1cc(Br)cc(C)c1N1CCC[C@H](NCc2nc(C#N)cs2)C1 ZINC000576032805 948813433 /nfs/dbraw/zinc/81/34/33/948813433.db2.gz ZBZANWHTAZYGLU-HNNXBMFYSA-N 0 1 405.365 4.153 20 30 HIEDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3cccs3)ccc1C#N)[C@H]2C ZINC001164861954 721004507 /nfs/dbraw/zinc/00/45/07/721004507.db2.gz RUEISKJJYLPXTQ-INIZCTEOSA-N 0 1 406.559 4.300 20 30 HIEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000436147869 861446920 /nfs/dbraw/zinc/44/69/20/861446920.db2.gz DNTWFQZYJFYBOV-LADGPHEKSA-N 0 1 417.557 4.051 20 30 HIEDMN CC(C)NS(=O)(=O)Cc1ccccc1C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000017701597 846264202 /nfs/dbraw/zinc/26/42/02/846264202.db2.gz JMBABQFQNOWDKD-UFFVCSGVSA-N 0 1 415.342 4.146 20 30 HIEDMN CC(C)(C)c1ccccc1NC(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021405885 846438628 /nfs/dbraw/zinc/43/86/28/846438628.db2.gz QUMGXLDJTXLVMM-UHFFFAOYSA-N 0 1 404.558 4.002 20 30 HIEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@H]2Cc2ccccc2)c1C#N ZINC000025440845 846977924 /nfs/dbraw/zinc/97/79/24/846977924.db2.gz RMFAKOJQVZBNQF-OAQYLSRUSA-N 0 1 416.525 4.264 20 30 HIEDMN C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000029329515 847546516 /nfs/dbraw/zinc/54/65/16/847546516.db2.gz BLYHVRKTAMXTNW-UHFFFAOYSA-N 0 1 400.287 4.102 20 30 HIEDMN COc1ccc(-c2n[nH]c(SCC(=O)N(CCC#N)c3ccc(C)c(C)c3)n2)cc1 ZINC000029412772 847560209 /nfs/dbraw/zinc/56/02/09/847560209.db2.gz GEUBDUGRXCUQML-UHFFFAOYSA-N 0 1 421.526 4.136 20 30 HIEDMN COc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000030509666 847724511 /nfs/dbraw/zinc/72/45/11/847724511.db2.gz PDIJXVDNYFZBKU-STQMWFEESA-N 0 1 402.292 4.007 20 30 HIEDMN N#CC(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000041537006 848227681 /nfs/dbraw/zinc/22/76/81/848227681.db2.gz OTAOWSMBZOMVKV-INIZCTEOSA-N 0 1 415.434 4.394 20 30 HIEDMN N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)[nH]1 ZINC000436662616 861886690 /nfs/dbraw/zinc/88/66/90/861886690.db2.gz ZPASCHLEXDZCCD-UHFFFAOYSA-N 0 1 415.236 4.403 20 30 HIEDMN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4ccccc4)n[nH]3)s2)cc1 ZINC000042097651 848285625 /nfs/dbraw/zinc/28/56/25/848285625.db2.gz RQZZPOFZXBLAMQ-UHFFFAOYSA-N 0 1 418.507 4.344 20 30 HIEDMN Cc1ccc(NC(=O)[C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000042684148 848344409 /nfs/dbraw/zinc/34/44/09/848344409.db2.gz SVFAFRRMLGFTJH-GOSISDBHSA-N 0 1 410.949 4.055 20 30 HIEDMN CCOc1ccccc1C(=O)NCC(=O)Nc1nc(-c2cccc3ccccc32)n[nH]1 ZINC000042756560 848352642 /nfs/dbraw/zinc/35/26/42/848352642.db2.gz DKPSEDPSRNFKKL-UHFFFAOYSA-N 0 1 415.453 4.042 20 30 HIEDMN CSc1ccc([C@H](C)NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054683 848977758 /nfs/dbraw/zinc/97/77/58/848977758.db2.gz RRGLMORBHOXIQQ-SFHVURJKSA-N 0 1 408.571 4.259 20 30 HIEDMN COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)N2CCCCC2)cc1 ZINC000047794006 849113373 /nfs/dbraw/zinc/11/33/73/849113373.db2.gz XVARVIUCCJAPIC-MBSDFSHPSA-N 0 1 406.530 4.154 20 30 HIEDMN N#CC(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1nc2ccccc2[nH]1 ZINC000048813390 849270042 /nfs/dbraw/zinc/27/00/42/849270042.db2.gz RWOVQBLEPWKVSY-CQSZACIVSA-N 0 1 403.392 4.006 20 30 HIEDMN CN(CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132772 849434481 /nfs/dbraw/zinc/43/44/81/849434481.db2.gz DAMQTQICBXZNNR-AUSIDOKSSA-N 0 1 409.555 4.340 20 30 HIEDMN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472393 849473380 /nfs/dbraw/zinc/47/33/80/849473380.db2.gz XEPMLMQYYGTZJT-PZJWPPBQSA-N 0 1 415.331 4.092 20 30 HIEDMN C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1 ZINC000053528270 849728136 /nfs/dbraw/zinc/72/81/36/849728136.db2.gz ILCCXAAEKCFHAX-SNVBAGLBSA-N 0 1 404.293 4.398 20 30 HIEDMN N#Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000055550843 850051010 /nfs/dbraw/zinc/05/10/10/850051010.db2.gz KVYKXCQAQOMRNE-UHFFFAOYSA-N 0 1 405.195 4.140 20 30 HIEDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000056196592 850279775 /nfs/dbraw/zinc/27/97/75/850279775.db2.gz RBBABJJZMGGJCU-ZIAGYGMSSA-N 0 1 412.515 4.475 20 30 HIEDMN C[C@H](N[C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056201381 850282727 /nfs/dbraw/zinc/28/27/27/850282727.db2.gz KODSCDYXXDQLQI-ROUUACIJSA-N 0 1 400.482 4.210 20 30 HIEDMN C=CCN(CC=C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1 ZINC000057123584 850553937 /nfs/dbraw/zinc/55/39/37/850553937.db2.gz JQINJIUJVOEEQN-UHFFFAOYSA-N 0 1 404.919 4.263 20 30 HIEDMN Cc1cc(Oc2ccc(C#N)cc2)ccc1NS(=O)(=O)c1c[nH]c2ncccc21 ZINC000057125565 850555728 /nfs/dbraw/zinc/55/57/28/850555728.db2.gz GFRVFFOOIXVZSJ-UHFFFAOYSA-N 0 1 404.451 4.336 20 30 HIEDMN CN1CCN(Cc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)CC1 ZINC000057273920 850596685 /nfs/dbraw/zinc/59/66/85/850596685.db2.gz BXKPJGWRRPUUEY-UHFFFAOYSA-N 0 1 410.521 4.225 20 30 HIEDMN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1c[nH]c2ccccc2c1=O ZINC000060339559 851067913 /nfs/dbraw/zinc/06/79/13/851067913.db2.gz BRGBQTSCOKSBDY-UHFFFAOYSA-N 0 1 415.262 4.258 20 30 HIEDMN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000063180980 851628502 /nfs/dbraw/zinc/62/85/02/851628502.db2.gz YSNWREXCNXRQLI-UHFFFAOYSA-N 0 1 404.797 4.430 20 30 HIEDMN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc2c(c(Cl)c1)OCO2 ZINC000063497384 851703456 /nfs/dbraw/zinc/70/34/56/851703456.db2.gz NVBVBNNXZSWRDM-UHFFFAOYSA-N 0 1 421.638 4.253 20 30 HIEDMN COc1ccc(-c2n[nH]c(NC(=O)CCC(=O)c3cc(C)sc3C)n2)c(OC)c1 ZINC000063531297 851708297 /nfs/dbraw/zinc/70/82/97/851708297.db2.gz NKDXWYWLZZRWAG-UHFFFAOYSA-N 0 1 414.487 4.418 20 30 HIEDMN CC(C)N(CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063615160 851725209 /nfs/dbraw/zinc/72/52/09/851725209.db2.gz LPTPCFVCXNXWQL-UHFFFAOYSA-N 0 1 412.534 4.421 20 30 HIEDMN CCCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000097491140 852617997 /nfs/dbraw/zinc/61/79/97/852617997.db2.gz ITMHFCOFZUCKHE-QFIPXVFZSA-N 0 1 421.541 4.151 20 30 HIEDMN CC1CCN([C@H](CNC(=O)CSCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000107702524 852788459 /nfs/dbraw/zinc/78/84/59/852788459.db2.gz QZBWBRXVILQMMB-HXUWFJFHSA-N 0 1 413.612 4.442 20 30 HIEDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000109872586 853026759 /nfs/dbraw/zinc/02/67/59/853026759.db2.gz PTHXUFIMUWRIRT-UHFFFAOYSA-N 0 1 411.596 4.287 20 30 HIEDMN COc1ccccc1-c1nc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cs1 ZINC000138693959 853394632 /nfs/dbraw/zinc/39/46/32/853394632.db2.gz OANUZXKQKHDLBZ-ZDUSSCGKSA-N 0 1 411.870 4.433 20 30 HIEDMN COc1ccccc1-c1nc(C(=O)C(C#N)C(=O)Nc2ccccc2Cl)cs1 ZINC000138693959 853394636 /nfs/dbraw/zinc/39/46/36/853394636.db2.gz OANUZXKQKHDLBZ-ZDUSSCGKSA-N 0 1 411.870 4.433 20 30 HIEDMN COc1ccc2[nH]cc(C3CCN([C@@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000142131507 853488351 /nfs/dbraw/zinc/48/83/51/853488351.db2.gz CQAYQQNOROOCJR-INIZCTEOSA-N 0 1 402.498 4.255 20 30 HIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000217199368 853860407 /nfs/dbraw/zinc/86/04/07/853860407.db2.gz FSFYNBSKRPPFIQ-UHFFFAOYSA-N 0 1 415.858 4.166 20 30 HIEDMN Cc1cc(CN(C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000250963058 854196394 /nfs/dbraw/zinc/19/63/94/854196394.db2.gz UILOXIXWIFWOES-OXJNMPFZSA-N 0 1 413.484 4.119 20 30 HIEDMN CC(=O)c1ccc(C#N)cc1N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000302026951 854517858 /nfs/dbraw/zinc/51/78/58/854517858.db2.gz AEFQXVROIHMHBR-UHFFFAOYSA-N 0 1 401.432 4.492 20 30 HIEDMN N#Cc1ccc(CN2CCCN(c3nnc(-c4ccccc4Cl)s3)CC2)cc1 ZINC000302133015 854535025 /nfs/dbraw/zinc/53/50/25/854535025.db2.gz YWLBYSXKIZINSJ-UHFFFAOYSA-N 0 1 409.946 4.442 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc3cc(Br)cnc32)cc1Cl ZINC000326129025 855407555 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ZINC000476636185 891575707 /nfs/dbraw/zinc/57/57/07/891575707.db2.gz NKYRBLPYULYBIM-QGZVFWFLSA-N 0 1 413.403 4.144 20 30 HIEDMN CCN(CCCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000477758952 892848751 /nfs/dbraw/zinc/84/87/51/892848751.db2.gz DQWZJXCZAVEROR-UHFFFAOYSA-N 0 1 405.420 4.307 20 30 HIEDMN Cc1ccc([C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)N2CCCC2)o1 ZINC000477922111 893007802 /nfs/dbraw/zinc/00/78/02/893007802.db2.gz ZANGZUDFTMUPOG-IBGZPJMESA-N 0 1 419.447 4.095 20 30 HIEDMN Cc1cccc2c(CCC(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c[nH]c21 ZINC000479215626 894478123 /nfs/dbraw/zinc/47/81/23/894478123.db2.gz LYWVYBBYMWQFIN-UHFFFAOYSA-N 0 1 400.526 4.084 20 30 HIEDMN Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1Br ZINC000479224759 894485830 /nfs/dbraw/zinc/48/58/30/894485830.db2.gz YOOSOCVBLPLMJB-UHFFFAOYSA-N 0 1 412.331 4.046 20 30 HIEDMN C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)o1 ZINC000479237023 894500511 /nfs/dbraw/zinc/50/05/11/894500511.db2.gz 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/nfs/dbraw/zinc/39/55/15/900395515.db2.gz VNSBVHDJKZXULC-UHFFFAOYSA-N 0 1 402.369 4.328 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)c(C(F)(F)F)c1 ZINC000486085288 901274398 /nfs/dbraw/zinc/27/43/98/901274398.db2.gz HQWLZDDWIVATNU-UHFFFAOYSA-N 0 1 408.401 4.361 20 30 HIEDMN N#Cc1cc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000505924030 914571280 /nfs/dbraw/zinc/57/12/80/914571280.db2.gz ZVFUYRRKCHVBFU-UHFFFAOYSA-N 0 1 405.395 4.064 20 30 HIEDMN N#Cc1ccc(CN2CC[C@H](NCc3cc(Cl)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000486876067 901921389 /nfs/dbraw/zinc/92/13/89/901921389.db2.gz BFMKCJAWFOLKCB-SFHVURJKSA-N 0 1 407.823 4.121 20 30 HIEDMN COc1ccc(CCC(=O)N2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)cc1 ZINC000487367619 902163521 /nfs/dbraw/zinc/16/35/21/902163521.db2.gz RQUFURGVHSSLPA-UHFFFAOYSA-N 0 1 419.569 4.163 20 30 HIEDMN N#Cc1ccc(CN2CC[C@H](N[C@@H]3CCc4c3ccc(Cl)c4Cl)C2=O)cc1 ZINC000488464564 902838849 /nfs/dbraw/zinc/83/88/49/902838849.db2.gz JYXJCLSGTNFQQG-MOPGFXCFSA-N 0 1 400.309 4.243 20 30 HIEDMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n[nH]1 ZINC000489249235 903286212 /nfs/dbraw/zinc/28/62/12/903286212.db2.gz HMQQLZKWOOYFDC-JKSUJKDBSA-N 0 1 403.486 4.260 20 30 HIEDMN CC(C)(C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)cc(C#N)c1 ZINC000506059589 914764265 /nfs/dbraw/zinc/76/42/65/914764265.db2.gz KHULVWMOUDWLEQ-UHFFFAOYSA-N 0 1 413.924 4.409 20 30 HIEDMN Cn1c2ccccc2cc(CNCc2cccc(OCc3ccccc3C#N)c2)c1=O ZINC000491472434 904615638 /nfs/dbraw/zinc/61/56/38/904615638.db2.gz UTAOPLVVWBNGLJ-UHFFFAOYSA-N 0 1 409.489 4.279 20 30 HIEDMN C[C@@H](CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1c[nH]c2ccccc21 ZINC000493046541 905002144 /nfs/dbraw/zinc/00/21/44/905002144.db2.gz DVTAOIRKDIIBLY-IBGZPJMESA-N 0 1 400.526 4.268 20 30 HIEDMN C=CCSc1ccccc1NC(=O)CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493982746 905325119 /nfs/dbraw/zinc/32/51/19/905325119.db2.gz BKTMPUVWROMMKH-RXVVDRJESA-N 0 1 404.482 4.301 20 30 HIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000494484351 905767721 /nfs/dbraw/zinc/76/77/21/905767721.db2.gz JZVJDSZDQHLDDZ-GGAORHGYSA-N 0 1 411.933 4.323 20 30 HIEDMN COc1cc(CN[C@@H](CO)c2sccc2C)ccc1OCc1cccc(C#N)c1 ZINC000494674580 905893917 /nfs/dbraw/zinc/89/39/17/905893917.db2.gz QMMAQAOCKZWXPR-FQEVSTJZSA-N 0 1 408.523 4.339 20 30 HIEDMN N#Cc1cccc(COc2ccc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)cc2)c1 ZINC000497101951 906806573 /nfs/dbraw/zinc/80/65/73/906806573.db2.gz ZNOULEGAGXYMMT-UHFFFAOYSA-N 0 1 422.444 4.344 20 30 HIEDMN N#Cc1cccc(COc2ccc(NC(=O)c3nc[nH]c3C(=O)c3ccccc3)cc2)c1 ZINC000497101951 906806576 /nfs/dbraw/zinc/80/65/76/906806576.db2.gz ZNOULEGAGXYMMT-UHFFFAOYSA-N 0 1 422.444 4.344 20 30 HIEDMN C[C@H](NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(C#N)cc1F ZINC000512655483 921276565 /nfs/dbraw/zinc/27/65/65/921276565.db2.gz USSCUOBKCZNYON-NSHDSACASA-N 0 1 400.255 4.096 20 30 HIEDMN C[C@H](NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(C#N)cc1F ZINC000512655483 921276568 /nfs/dbraw/zinc/27/65/68/921276568.db2.gz USSCUOBKCZNYON-NSHDSACASA-N 0 1 400.255 4.096 20 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N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(Cl)c1 ZINC000502437148 911421961 /nfs/dbraw/zinc/42/19/61/911421961.db2.gz CJTVPNXZRSOWPZ-UHFFFAOYSA-N 0 1 414.899 4.389 20 30 HIEDMN CCCCOCCOCc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000502779453 911803642 /nfs/dbraw/zinc/80/36/42/911803642.db2.gz WVIOGSCINLVXHR-UHFFFAOYSA-N 0 1 422.934 4.346 20 30 HIEDMN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000513376684 921749017 /nfs/dbraw/zinc/74/90/17/921749017.db2.gz IKRVRJOGLBYGLW-UHFFFAOYSA-N 0 1 404.797 4.262 20 30 HIEDMN CCN(CC)[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000506527688 915167153 /nfs/dbraw/zinc/16/71/53/915167153.db2.gz PPUCUXWGCYDVOI-RTBURBONSA-N 0 1 400.320 4.213 20 30 HIEDMN C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506727251 915409491 /nfs/dbraw/zinc/40/94/91/915409491.db2.gz RLCAZRLGMQKPOC-UHFFFAOYSA-N 0 1 418.824 4.075 20 30 HIEDMN CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(Br)cc(Cl)c1O ZINC000507081658 915858343 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CN(C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000511264347 919862542 /nfs/dbraw/zinc/86/25/42/919862542.db2.gz DQPSINJXCIUHLY-FQEVSTJZSA-N 0 1 423.517 4.169 20 30 HIEDMN CC(C)(CCC#N)CN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000511503105 920116501 /nfs/dbraw/zinc/11/65/01/920116501.db2.gz FZQHHGOEZVJQON-UHFFFAOYSA-N 0 1 412.538 4.049 20 30 HIEDMN Cc1cc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000511760441 920443015 /nfs/dbraw/zinc/44/30/15/920443015.db2.gz XIEADOAEPUDXBC-CZUORRHYSA-N 0 1 418.360 4.142 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc4c3O[C@@H](C)C(=O)N4)n2)cc1 ZINC000511764724 920446732 /nfs/dbraw/zinc/44/67/32/920446732.db2.gz IMMSAFFGCOCJNI-LRDDRELGSA-N 0 1 419.462 4.028 20 30 HIEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc4c3O[C@@H](C)C(=O)N4)n2)cc1 ZINC000511764724 920446741 /nfs/dbraw/zinc/44/67/41/920446741.db2.gz IMMSAFFGCOCJNI-LRDDRELGSA-N 0 1 419.462 4.028 20 30 HIEDMN N#Cc1ccc(NC(=O)CN[C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000512215775 920964559 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HIEDMN C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)N2CCCCC2)cc1OC ZINC000108555430 852859880 /nfs/dbraw/zinc/85/98/80/852859880.db2.gz HQVKQXVNNMLAGD-OAQYLSRUSA-N 0 1 424.541 4.226 20 30 HIEDMN C#CCN1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000108709657 852874601 /nfs/dbraw/zinc/87/46/01/852874601.db2.gz GQUORZZPKZZQJV-UHFFFAOYSA-N 0 1 408.354 4.324 20 30 HIEDMN N#Cc1c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn2ccccc12 ZINC000110988076 853180979 /nfs/dbraw/zinc/18/09/79/853180979.db2.gz CFZQLLLWRKGIHU-QGZVFWFLSA-N 0 1 401.445 4.380 20 30 HIEDMN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2sc(C(C)(C)C)nc2C)C1=O ZINC000149601738 853627662 /nfs/dbraw/zinc/62/76/62/853627662.db2.gz WNPXBUDLTXRPBR-HXUWFJFHSA-N 0 1 408.568 4.065 20 30 HIEDMN CC(C)NC(=O)Nc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000195662734 853744737 /nfs/dbraw/zinc/74/47/37/853744737.db2.gz XFUBPTVHKVOJKH-QGZVFWFLSA-N 0 1 405.483 4.225 20 30 HIEDMN N#Cc1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)ccc1Cl ZINC000195698478 853765664 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N#CCC[C@@H](NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3)[nH]2)C1)c1ccccc1 ZINC000541481795 939532430 /nfs/dbraw/zinc/53/24/30/939532430.db2.gz GLOIBOPMHKUYJI-NHCUHLMSSA-N 0 1 414.513 4.406 20 30 HIEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN[C@@H](c2cccnc2)C2CC2)c1C#N ZINC000541590717 939561746 /nfs/dbraw/zinc/56/17/46/939561746.db2.gz LDYSTJWNWGOYOJ-XMMPIXPASA-N 0 1 413.525 4.099 20 30 HIEDMN COc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 ZINC000541640180 939582377 /nfs/dbraw/zinc/58/23/77/939582377.db2.gz NFZCCLDEUDAHQQ-PGKMIFDNSA-N 0 1 414.575 4.221 20 30 HIEDMN C[C@@H](NCC(=O)NCCc1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542011995 939684268 /nfs/dbraw/zinc/68/42/68/939684268.db2.gz KNVYFAQDDMITMN-GOSISDBHSA-N 0 1 401.485 4.374 20 30 HIEDMN CC(=O)Nc1ccc(NC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000542013740 939685020 /nfs/dbraw/zinc/68/50/20/939685020.db2.gz XLOFNEMNIUIKDH-QGZVFWFLSA-N 0 1 412.493 4.473 20 30 HIEDMN COc1ccccc1CCNC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941636 939882640 /nfs/dbraw/zinc/88/26/40/939882640.db2.gz CCLRMBDKHVMVGY-LJQANCHMSA-N 0 1 413.521 4.243 20 30 HIEDMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)Nc3cccc(C#N)c3)s2)cc1 ZINC000543503708 940088376 /nfs/dbraw/zinc/08/83/76/940088376.db2.gz XYESDTIPOLSALF-CQSZACIVSA-N 0 1 406.511 4.288 20 30 HIEDMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC(=O)N(CCC#N)CCC#N ZINC000543516817 940092829 /nfs/dbraw/zinc/09/28/29/940092829.db2.gz BZWKJMCAMSKJNC-CQSZACIVSA-N 0 1 415.950 4.078 20 30 HIEDMN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCS(=O)(=O)c1cccc(C#N)c1 ZINC000543516581 940093019 /nfs/dbraw/zinc/09/30/19/940093019.db2.gz JFZZBLNQOKPSLD-OAHLLOKOSA-N 0 1 411.552 4.115 20 30 HIEDMN C[C@H]1[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCN1C ZINC000543608362 940129486 /nfs/dbraw/zinc/12/94/86/940129486.db2.gz GKQANXPRUYOMFK-HOTGVXAUSA-N 0 1 412.921 4.347 20 30 HIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(OC)c(OC3CCCC3)c2)n1 ZINC000544155731 940339596 /nfs/dbraw/zinc/33/95/96/940339596.db2.gz WRPDSDCRGCVSPL-HNNXBMFYSA-N 0 1 414.483 4.140 20 30 HIEDMN Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(C[N@@H+](C)Cc4ccccc4)c3)nc1-2 ZINC000544204841 940353002 /nfs/dbraw/zinc/35/30/02/940353002.db2.gz ULLNQLHSHXSLFQ-NRFANRHFSA-N 0 1 409.493 4.388 20 30 HIEDMN N#CC(C(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccncn1 ZINC000545446655 940570296 /nfs/dbraw/zinc/57/02/96/940570296.db2.gz QYUNAPYHTKKAOA-KRWDZBQOSA-N 0 1 408.255 4.308 20 30 HIEDMN CN1CCCN(c2ccc(-c3noc(-c4cccc(CC#N)c4)n3)cc2Cl)CC1 ZINC000546485302 940832974 /nfs/dbraw/zinc/83/29/74/940832974.db2.gz MCCGZCFHMPVATK-UHFFFAOYSA-N 0 1 407.905 4.265 20 30 HIEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CNC(C)(C)c2ccc(C)nc2)c1C#N ZINC000546810295 940886250 /nfs/dbraw/zinc/88/62/50/940886250.db2.gz ADMUNHMOLDNYTF-UHFFFAOYSA-N 0 1 415.541 4.192 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc4c(cc3OC)OCO4)n2)cc1 ZINC000546861835 940897316 /nfs/dbraw/zinc/89/73/16/940897316.db2.gz PTOBTDVQPGCLKP-HNNXBMFYSA-N 0 1 408.435 4.046 20 30 HIEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3cc4c(cc3OC)OCO4)n2)cc1 ZINC000546861835 940897320 /nfs/dbraw/zinc/89/73/20/940897320.db2.gz PTOBTDVQPGCLKP-HNNXBMFYSA-N 0 1 408.435 4.046 20 30 HIEDMN C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)C1(c2ccccc2)CC1 ZINC000564049014 945362362 /nfs/dbraw/zinc/36/23/62/945362362.db2.gz FBPMRLYBJPHEEY-LJQANCHMSA-N 0 1 424.614 4.274 20 30 HIEDMN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cnc1N1CCCC[C@H]1C ZINC000547271888 941049746 /nfs/dbraw/zinc/04/97/46/941049746.db2.gz BERBNENYESRXJP-CQSZACIVSA-N 0 1 404.923 4.095 20 30 HIEDMN N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548927574 941129863 /nfs/dbraw/zinc/12/98/63/941129863.db2.gz JBIFBJWGBXTEHP-QYEXWFEISA-N 0 1 411.509 4.093 20 30 HIEDMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@H](C)c2ccc(C#N)cc2)c1C#N ZINC000549173494 941168421 /nfs/dbraw/zinc/16/84/21/941168421.db2.gz MNEAQZWJDRNXPP-MRXNPFEDSA-N 0 1 415.472 4.266 20 30 HIEDMN C=C(C)COc1cc(CN[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1OC ZINC000551226863 941431439 /nfs/dbraw/zinc/43/14/39/941431439.db2.gz BCQAVIAWDWUJNA-KRWDZBQOSA-N 0 1 403.544 4.295 20 30 HIEDMN N#CCc1ccc(OC[C@@H](O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 ZINC000552437501 941671821 /nfs/dbraw/zinc/67/18/21/941671821.db2.gz HCRUQDPDNIWHKS-QFIPXVFZSA-N 0 1 408.448 4.150 20 30 HIEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CNC2(c3ccc(Cl)cc3)CC2)c1C#N ZINC000553003093 941814439 /nfs/dbraw/zinc/81/44/39/941814439.db2.gz ZIJIRAIPSNUAPH-UHFFFAOYSA-N 0 1 422.916 4.489 20 30 HIEDMN N#Cc1ccccc1-c1ccc(CN2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000553483238 941892862 /nfs/dbraw/zinc/89/28/62/941892862.db2.gz LIAKGBGQJVINBU-UHFFFAOYSA-N 0 1 407.521 4.191 20 30 HIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](CCO)c1ccc(Cl)cc1 ZINC000553943002 942004199 /nfs/dbraw/zinc/00/41/99/942004199.db2.gz ILFAVHLDVGOOBL-YJBOKZPZSA-N 0 1 417.962 4.244 20 30 HIEDMN Cc1cccc(N(CCC#N)C(=O)CN(C[C@H](C)c2ccccc2)[C@@H](C)CO)c1C ZINC000553951669 942005306 /nfs/dbraw/zinc/00/53/06/942005306.db2.gz NLYNTTLBSYMRHZ-SFTDATJTSA-N 0 1 407.558 4.037 20 30 HIEDMN COc1cc(CN[C@@H](CO)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1 ZINC000554637122 942182853 /nfs/dbraw/zinc/18/28/53/942182853.db2.gz ZMFMAIYSQUYTBN-QFIPXVFZSA-N 0 1 406.457 4.108 20 30 HIEDMN N#Cc1cccc(C2(NCC(=O)Nc3cccc(CSc4ccccn4)c3)CC2)c1 ZINC000556510910 942888240 /nfs/dbraw/zinc/88/82/40/942888240.db2.gz BBPBIKTYRVDTAJ-UHFFFAOYSA-N 0 1 414.534 4.463 20 30 HIEDMN CC[C@@H](C)c1nc([C@@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n[nH]1 ZINC000558511383 943580493 /nfs/dbraw/zinc/58/04/93/943580493.db2.gz NGMJODNPWNIWQK-ZIAGYGMSSA-N 0 1 405.462 4.260 20 30 HIEDMN N#Cc1ccc(Oc2ccccc2OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000559302329 943893009 /nfs/dbraw/zinc/89/30/09/943893009.db2.gz GWARGXPWYCHGKS-NRFANRHFSA-N 0 1 418.468 4.288 20 30 HIEDMN N#Cc1ccc(Oc2ccccc2OC[C@@H](O)CN2CCc3ccccc3C2)c(F)c1 ZINC000559302329 943893010 /nfs/dbraw/zinc/89/30/10/943893010.db2.gz GWARGXPWYCHGKS-NRFANRHFSA-N 0 1 418.468 4.288 20 30 HIEDMN N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc1)CC2 ZINC000562085866 944930378 /nfs/dbraw/zinc/93/03/78/944930378.db2.gz VUPVGJDPVZWOSF-HSZRJFAPSA-N 0 1 421.497 4.275 20 30 HIEDMN COc1ccc([C@@H](NC[C@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 ZINC000569184722 946835173 /nfs/dbraw/zinc/83/51/73/946835173.db2.gz AIJBMBVUUZWEKF-DHLKQENFSA-N 0 1 420.484 4.019 20 30 HIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](c1cccs1)C(C)(C)CO ZINC000569860324 947022791 /nfs/dbraw/zinc/02/27/91/947022791.db2.gz VAKXWMOOZUELQQ-YWZLYKJASA-N 0 1 417.600 4.430 20 30 HIEDMN N#CCCCn1cc(-c2nc(Cc3nnc(-c4ccccc4)[nH]3)no2)c2ccccc21 ZINC000570243942 947164753 /nfs/dbraw/zinc/16/47/53/947164753.db2.gz JLYAPTPGXHHKTI-UHFFFAOYSA-N 0 1 409.453 4.371 20 30 HIEDMN N#Cc1ccccc1COc1cccc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000570671143 947325528 /nfs/dbraw/zinc/32/55/28/947325528.db2.gz UADDOJPLRYSJRS-PZJWPPBQSA-N 0 1 404.432 4.130 20 30 HIEDMN COc1ccc([C@H](CCC#N)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000571752720 947775649 /nfs/dbraw/zinc/77/56/49/947775649.db2.gz PZOZFPQAPQXYQZ-IECBHUPTSA-N 0 1 421.541 4.079 20 30 HIEDMN N#Cc1cc(C(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cnc1C(F)(F)F ZINC000574298824 948405289 /nfs/dbraw/zinc/40/52/89/948405289.db2.gz UDPVQVIRCJDVNM-OAHLLOKOSA-N 0 1 419.794 4.479 20 30 HIEDMN C[C@]12CCCN1C[C@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955018 948800860 /nfs/dbraw/zinc/80/08/60/948800860.db2.gz QXWWSHIVPQFDAT-ZJSXRUAMSA-N 0 1 416.481 4.113 20 30 HIEDMN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000435967838 861228850 /nfs/dbraw/zinc/22/88/50/861228850.db2.gz BKEVAJXRHJCXKU-SWLSCSKDSA-N 0 1 404.333 4.228 20 30 HIEDMN COc1ccc2cc([C@H](C)C(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)ccc2c1 ZINC000007832615 845424758 /nfs/dbraw/zinc/42/47/58/845424758.db2.gz MOCWKVQPVCTHKT-IFXJQAMLSA-N 0 1 408.479 4.137 20 30 HIEDMN COc1ccc2cc([C@H](C)C(=O)OCC(=O)C(C#N)c3nc(C)cs3)ccc2c1 ZINC000007832615 845424765 /nfs/dbraw/zinc/42/47/65/845424765.db2.gz MOCWKVQPVCTHKT-IFXJQAMLSA-N 0 1 408.479 4.137 20 30 HIEDMN COc1ccc2cc([C@H](C)C(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)ccc2c1 ZINC000007832614 845425059 /nfs/dbraw/zinc/42/50/59/845425059.db2.gz MOCWKVQPVCTHKT-LIRRHRJNSA-N 0 1 408.479 4.137 20 30 HIEDMN COc1ccc2cc([C@H](C)C(=O)OCC(=O)C(C#N)c3nc(C)cs3)ccc2c1 ZINC000007832614 845425064 /nfs/dbraw/zinc/42/50/64/845425064.db2.gz MOCWKVQPVCTHKT-LIRRHRJNSA-N 0 1 408.479 4.137 20 30 HIEDMN CCOc1ccc(N(CCC#N)C(=O)CSc2nc3ccc(OCC)cc3[nH]2)cc1 ZINC000010732309 845700575 /nfs/dbraw/zinc/70/05/75/845700575.db2.gz HESMHCVXCNSSHA-UHFFFAOYSA-N 0 1 424.526 4.399 20 30 HIEDMN N#Cc1c2c(sc1NC(=O)CCN1CCC(C(=O)c3ccccc3)CC1)CCC2 ZINC000025946885 847061378 /nfs/dbraw/zinc/06/13/78/847061378.db2.gz NSYBTAXECLXBHU-UHFFFAOYSA-N 0 1 407.539 4.032 20 30 HIEDMN CC1(C)CC(=O)C(=CNN=c2nc[nH]c3scc(-c4ccc(F)cc4)c32)C(=O)C1 ZINC000029009642 847492183 /nfs/dbraw/zinc/49/21/83/847492183.db2.gz SGMPDJXVKIHUMM-UHFFFAOYSA-N 0 1 410.474 4.256 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000029983658 847664398 /nfs/dbraw/zinc/66/43/98/847664398.db2.gz MMGDMSZXEMMVIP-UHFFFAOYSA-N 0 1 400.526 4.097 20 30 HIEDMN CC(C)n1ncc2ccc(NS(=O)(=O)c3cccc(Br)c3C#N)cc21 ZINC000436475632 861818697 /nfs/dbraw/zinc/81/86/97/861818697.db2.gz HFDOIHVODXGFDL-UHFFFAOYSA-N 0 1 419.304 4.052 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCc3cccc4ccccc43)CC2)cc1 ZINC000031184528 847838952 /nfs/dbraw/zinc/83/89/52/847838952.db2.gz MFJQDNCESVPBTE-UHFFFAOYSA-N 0 1 412.537 4.171 20 30 HIEDMN CC(=O)c1ccc(O)c(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c1 ZINC000436642856 861879909 /nfs/dbraw/zinc/87/99/09/861879909.db2.gz CKGXHDFZXATNEA-UHFFFAOYSA-N 0 1 411.889 4.365 20 30 HIEDMN N#CC(C(=O)c1ccc(NC(N)=O)cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548658 848229848 /nfs/dbraw/zinc/22/98/48/848229848.db2.gz UEWNPQRNQIBUTM-LBPRGKRZSA-N 0 1 404.373 4.296 20 30 HIEDMN C=C[C@](C)(O)CC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC000436665555 861887230 /nfs/dbraw/zinc/88/72/30/861887230.db2.gz MYUXRDGHPONOFJ-IBGZPJMESA-N 0 1 409.269 4.217 20 30 HIEDMN 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HIEDMN Cc1cccc(COc2ccc([C@H](C)NCC(=O)NCc3cccc(C#N)c3)cc2)c1 ZINC000540400085 939234812 /nfs/dbraw/zinc/23/48/12/939234812.db2.gz AEUVXINDECWRND-FQEVSTJZSA-N 0 1 413.521 4.413 20 30 HIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000541118617 939466955 /nfs/dbraw/zinc/46/69/55/939466955.db2.gz SZQGXFYXVFYXPC-ZPJKGSQLSA-N 0 1 411.571 4.027 20 30 HIEDMN CC[C@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000541602827 939565923 /nfs/dbraw/zinc/56/59/23/939565923.db2.gz AHVIBORMSXGLSX-KSSFIOAISA-N 0 1 413.591 4.307 20 30 HIEDMN CC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000541602828 939566309 /nfs/dbraw/zinc/56/63/09/939566309.db2.gz AHVIBORMSXGLSX-RDTXWAMCSA-N 0 1 413.591 4.307 20 30 HIEDMN N#Cc1ccccc1Sc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC000541749788 939620452 /nfs/dbraw/zinc/62/04/52/939620452.db2.gz SVIUPQVMCOMIRA-NRFANRHFSA-N 0 1 411.490 4.347 20 30 HIEDMN N#CCC1CCN(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)CC1 ZINC000541963741 939663771 /nfs/dbraw/zinc/66/37/71/939663771.db2.gz XEMOOUWBVUPBKW-UHFFFAOYSA-N 0 1 401.339 4.375 20 30 HIEDMN CC(C)COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccco1 ZINC000542556081 939843009 /nfs/dbraw/zinc/84/30/09/939843009.db2.gz LQJULIHRCAKECF-SFHVURJKSA-N 0 1 415.559 4.424 20 30 HIEDMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)Nc3sccc3C#N)s2)cc1 ZINC000542570155 939844906 /nfs/dbraw/zinc/84/49/06/939844906.db2.gz VJYRGLFAHMAJLM-GFCCVEGCSA-N 0 1 412.540 4.350 20 30 HIEDMN Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000542704640 939855456 /nfs/dbraw/zinc/85/54/56/939855456.db2.gz NVVXLSRCOMSSKB-LJQANCHMSA-N 0 1 404.535 4.486 20 30 HIEDMN N#Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000542719664 939856491 /nfs/dbraw/zinc/85/64/91/939856491.db2.gz STPQCGUVGCMSGN-QGZVFWFLSA-N 0 1 407.823 4.235 20 30 HIEDMN C=CCN(Cc1cn(C)nc1C1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000543397105 940051008 /nfs/dbraw/zinc/05/10/08/940051008.db2.gz YXMABDYWZMLENP-SFHVURJKSA-N 0 1 405.550 4.193 20 30 HIEDMN CC[C@@H](NCCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nccs1 ZINC000543455135 940068238 /nfs/dbraw/zinc/06/82/38/940068238.db2.gz TVSCCDUJJUPPKC-GOSISDBHSA-N 0 1 411.531 4.144 20 30 HIEDMN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000543460292 940069967 /nfs/dbraw/zinc/06/99/67/940069967.db2.gz KUWNIWIEGXMZKB-GOEBONIOSA-N 0 1 421.467 4.048 20 30 HIEDMN COC[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000543486089 940080119 /nfs/dbraw/zinc/08/01/19/940080119.db2.gz SHMXUDXRDVFYGM-KRWDZBQOSA-N 0 1 401.532 4.096 20 30 HIEDMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCC(=O)NCc1ccc(C#N)cc1 ZINC000543518795 940093957 /nfs/dbraw/zinc/09/39/57/940093957.db2.gz DTNNVRCIDTWQBZ-MRXNPFEDSA-N 0 1 404.539 4.266 20 30 HIEDMN N#CCc1ccc(Oc2ccc(C(=O)N[C@H](c3nnc[nH]3)c3ccccc3)cc2)cc1 ZINC000543605528 940128552 /nfs/dbraw/zinc/12/85/52/940128552.db2.gz RKTAYIFJUIVBCB-QFIPXVFZSA-N 0 1 409.449 4.182 20 30 HIEDMN C=C(C)COc1cc(CN[C@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1OC ZINC000551226864 941431466 /nfs/dbraw/zinc/43/14/66/941431466.db2.gz BCQAVIAWDWUJNA-QGZVFWFLSA-N 0 1 403.544 4.295 20 30 HIEDMN N#Cc1ccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)cc1Cl ZINC000551553276 941500391 /nfs/dbraw/zinc/50/03/91/941500391.db2.gz VICAMHQCPWHJEQ-UHFFFAOYSA-N 0 1 403.313 4.016 20 30 HIEDMN N#C[C@@H](C(=O)c1ccnc(NC(=O)C2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000552063542 941577349 /nfs/dbraw/zinc/57/73/49/941577349.db2.gz CIJMVZHFNRJNCB-ZDUSSCGKSA-N 0 1 424.432 4.322 20 30 HIEDMN N#CC(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000552063542 941577353 /nfs/dbraw/zinc/57/73/53/941577353.db2.gz CIJMVZHFNRJNCB-ZDUSSCGKSA-N 0 1 424.432 4.322 20 30 HIEDMN C=CCN(Cc1c(C)nn(-c2ccccc2)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000552243085 941611995 /nfs/dbraw/zinc/61/19/95/941611995.db2.gz PPDDSGIUVAHSKH-LJQANCHMSA-N 0 1 413.529 4.214 20 30 HIEDMN Cc1ccc(-c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)n[nH]2)c(C)c1 ZINC000552695560 941739146 /nfs/dbraw/zinc/73/91/46/941739146.db2.gz ZTGITKMUSFVAMA-UHFFFAOYSA-N 0 1 418.472 4.388 20 30 HIEDMN C=CCc1ccc(OC[C@H](O)CNCc2nc3cc(Cl)ccc3s2)c(OC)c1 ZINC000552838026 941783197 /nfs/dbraw/zinc/78/31/97/941783197.db2.gz GKSXXBICTVPMKC-MRXNPFEDSA-N 0 1 418.946 4.216 20 30 HIEDMN CCN(CC)S(=O)(=O)c1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553766885 941963032 /nfs/dbraw/zinc/96/30/32/941963032.db2.gz SXPYTPPDEZLWKS-CVEARBPZSA-N 0 1 403.523 4.140 20 30 HIEDMN Cc1cc(N(CCC#N)C(=O)CN[C@@H](CCO)c2ccc(Cl)cc2)ccc1Cl ZINC000554283761 942090885 /nfs/dbraw/zinc/09/08/85/942090885.db2.gz WAARAPWYYXHKMW-FQEVSTJZSA-N 0 1 420.340 4.262 20 30 HIEDMN CN1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556954531 942978161 /nfs/dbraw/zinc/97/81/61/942978161.db2.gz BEKJQVINVXSMDD-LIRRHRJNSA-N 0 1 406.288 4.427 20 30 HIEDMN COc1ccccc1O[C@H]1CCCN(Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000557521115 943188537 /nfs/dbraw/zinc/18/85/37/943188537.db2.gz LRUPPBOWICYXMZ-FQEVSTJZSA-N 0 1 410.514 4.430 20 30 HIEDMN CC[C@@H](C)c1nc([C@H](C)NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)n[nH]1 ZINC000558511381 943580745 /nfs/dbraw/zinc/58/07/45/943580745.db2.gz NGMJODNPWNIWQK-KGLIPLIRSA-N 0 1 405.462 4.260 20 30 HIEDMN N#C[C@@H](C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560217903 944199158 /nfs/dbraw/zinc/19/91/58/944199158.db2.gz NHNFKUWMGOGYAB-ZDUSSCGKSA-N 0 1 407.405 4.363 20 30 HIEDMN N#CC(C(=O)c1ccc(-c2nc[nH]n2)cc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560217903 944199163 /nfs/dbraw/zinc/19/91/63/944199163.db2.gz NHNFKUWMGOGYAB-ZDUSSCGKSA-N 0 1 407.405 4.363 20 30 HIEDMN N#Cc1cc(F)cc(C2(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)c1 ZINC000560423837 944231026 /nfs/dbraw/zinc/23/10/26/944231026.db2.gz YVKTUFYQQRJZSZ-OAQYLSRUSA-N 0 1 411.908 4.336 20 30 HIEDMN N#Cc1ccc(OC2CCN(C(=O)Nc3ccc4nc(C(F)F)[nH]c4c3)CC2)cc1 ZINC000560872499 944361077 /nfs/dbraw/zinc/36/10/77/944361077.db2.gz YNQHDGCWHJLZKI-UHFFFAOYSA-N 0 1 411.412 4.447 20 30 HIEDMN Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(Cc3ccc(C#N)cc3)C2)cn1 ZINC000565258328 945793681 /nfs/dbraw/zinc/79/36/81/945793681.db2.gz HMGLNZGMPALGHE-UHFFFAOYSA-N 0 1 411.553 4.188 20 30 HIEDMN N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1F ZINC000573848686 948310456 /nfs/dbraw/zinc/31/04/56/948310456.db2.gz XVHORKGWJJVOEO-KRWDZBQOSA-N 0 1 406.383 4.112 20 30 HIEDMN N#Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)cnc1C(F)(F)F ZINC000574298823 948405225 /nfs/dbraw/zinc/40/52/25/948405225.db2.gz UDPVQVIRCJDVNM-HNNXBMFYSA-N 0 1 419.794 4.479 20 30 HIEDMN Cc1cc(N2CC[C@@H](N[C@@H]3CCc4ccc(C#N)cc43)C2=O)ccc1Br ZINC000574442173 948444095 /nfs/dbraw/zinc/44/40/95/948444095.db2.gz IYJSPRXYWCEGNR-WOJBJXKFSA-N 0 1 410.315 4.012 20 30 HIEDMN Cc1nc(CN2CCCC23CCN(c2ncc(CC#N)cc2Cl)CC3)cs1 ZINC001164691273 719815038 /nfs/dbraw/zinc/81/50/38/719815038.db2.gz CQEJAMSHPUZIGL-UHFFFAOYSA-N 0 1 401.967 4.201 20 30 HIEDMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3cccs3)ccc1C#N)[C@@H]2C ZINC001164861955 721005673 /nfs/dbraw/zinc/00/56/73/721005673.db2.gz RUEISKJJYLPXTQ-MRXNPFEDSA-N 0 1 406.559 4.300 20 30 HIEDMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)cc(C)c2C#N)CC1 ZINC001165020313 721838270 /nfs/dbraw/zinc/83/82/70/721838270.db2.gz HUACQOPCASQEKB-UHFFFAOYSA-N 0 1 414.937 4.033 20 30 HIEDMN Cc1ccc(CN2CCOC3(CCN(c4ccc(C5(C#N)CCC5)cn4)CC3)C2)cc1 ZINC001164938965 721926034 /nfs/dbraw/zinc/92/60/34/721926034.db2.gz DSQNFJBRDYDOQR-UHFFFAOYSA-N 0 1 416.569 4.207 20 30 HIEDMN CSc1ccccc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000436027385 861319164 /nfs/dbraw/zinc/31/91/64/861319164.db2.gz MOUMADUGDUZTGJ-UHFFFAOYSA-N 0 1 423.519 4.333 20 30 HIEDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000436043519 861332906 /nfs/dbraw/zinc/33/29/06/861332906.db2.gz SCSWWHRDVUKEMF-NRFANRHFSA-N 0 1 420.944 4.442 20 30 HIEDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000436048663 861337451 /nfs/dbraw/zinc/33/74/51/861337451.db2.gz WHUZZEJZKFIHHD-OAQYLSRUSA-N 0 1 420.944 4.442 20 30 HIEDMN N#Cc1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)ccc1Cl ZINC000010514883 845669963 /nfs/dbraw/zinc/66/99/63/845669963.db2.gz KWTDFJCUACBZHO-UHFFFAOYSA-N 0 1 406.088 4.428 20 30 HIEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CCSc3nc(C(C)(C)C)n[nH]3)sc2C1 ZINC000012260773 845864241 /nfs/dbraw/zinc/86/42/41/845864241.db2.gz CKALHZLIIKNODE-NSHDSACASA-N 0 1 403.577 4.281 20 30 HIEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CCSc3n[nH]c(C(C)(C)C)n3)sc2C1 ZINC000012260773 845864247 /nfs/dbraw/zinc/86/42/47/845864247.db2.gz CKALHZLIIKNODE-NSHDSACASA-N 0 1 403.577 4.281 20 30 HIEDMN Cc1cc(C2N=NC(=S)N2N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]n1 ZINC000028381728 847413736 /nfs/dbraw/zinc/41/37/36/847413736.db2.gz SHXILGBILZANIE-SSDVNMTOSA-N 0 1 412.563 4.448 20 30 HIEDMN Cc1cccc(N2CCN(Cc3ccc(NC(=O)C4(C#N)CCCC4)cc3)CC2)c1 ZINC000029416627 847561646 /nfs/dbraw/zinc/56/16/46/847561646.db2.gz SMPMHCLITYCHLC-UHFFFAOYSA-N 0 1 402.542 4.340 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)CCCc3nc4ccccc4s3)CC2)cc1 ZINC000029983880 847664015 /nfs/dbraw/zinc/66/40/15/847664015.db2.gz QLSMSTAPWILLGN-UHFFFAOYSA-N 0 1 418.566 4.225 20 30 HIEDMN COc1c(Br)cc(Br)cc1CNCc1ccc(C#N)cc1 ZINC000037505846 848174092 /nfs/dbraw/zinc/17/40/92/848174092.db2.gz LFXMXJYLCKEBEE-UHFFFAOYSA-N 0 1 410.109 4.382 20 30 HIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cc(S(C)(=O)=O)ccc3C)n2)cc1 ZINC000041513612 848224453 /nfs/dbraw/zinc/22/44/53/848224453.db2.gz WOVGTTBQDVFUCB-SFHVURJKSA-N 0 1 410.520 4.321 20 30 HIEDMN N#CC(C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1nc(-c2ccccc2)cs1 ZINC000041522335 848225896 /nfs/dbraw/zinc/22/58/96/848225896.db2.gz CSQQWAOBJFDVPS-ICSRJNTNSA-N 0 1 417.490 4.418 20 30 HIEDMN N#CC(C(=O)c1ccc2c(c1)NC(=O)CO2)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000041548843 848229823 /nfs/dbraw/zinc/22/98/23/848229823.db2.gz QJBCAGORUUGZHO-NSHDSACASA-N 0 1 417.368 4.136 20 30 HIEDMN CCc1c(C(=O)[C@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1 ZINC000041552546 848231013 /nfs/dbraw/zinc/23/10/13/848231013.db2.gz NPUJXSDWSVFOHU-OAHLLOKOSA-N 0 1 402.351 4.478 20 30 HIEDMN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1 ZINC000041552546 848231021 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20 30 HIEDMN CCOc1ccc(N(CCC#N)C(=O)CN(CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000054340706 849850053 /nfs/dbraw/zinc/85/00/53/849850053.db2.gz NBCGYNUBRGKJRE-IBGZPJMESA-N 0 1 404.514 4.287 20 30 HIEDMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ncccc2C#N)cc1Cl ZINC000055591861 850067224 /nfs/dbraw/zinc/06/72/24/850067224.db2.gz WCGKATKYEHLXIE-UHFFFAOYSA-N 0 1 415.858 4.208 20 30 HIEDMN C[C@@H](N[C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056144418 850253153 /nfs/dbraw/zinc/25/31/53/850253153.db2.gz ADQLWPGVPKWQFY-ZWKOTPCHSA-N 0 1 400.482 4.210 20 30 HIEDMN C[C@@H](N[C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000056144417 850253503 /nfs/dbraw/zinc/25/35/03/850253503.db2.gz ADQLWPGVPKWQFY-MSOLQXFVSA-N 0 1 400.482 4.210 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2)cc1 ZINC000058707261 850897428 /nfs/dbraw/zinc/89/74/28/850897428.db2.gz RJBLGGCGQMBAIQ-UHFFFAOYSA-N 0 1 411.870 4.265 20 30 HIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)ccc1F ZINC000060043747 851034735 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HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1Cl ZINC000110401382 853095527 /nfs/dbraw/zinc/09/55/27/853095527.db2.gz QLCXFGPHGWNWMF-UHFFFAOYSA-N 0 1 405.888 4.048 20 30 HIEDMN CCCN(CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111177717 853217370 /nfs/dbraw/zinc/21/73/70/853217370.db2.gz PIAKCRAVMRPFFI-QFIPXVFZSA-N 0 1 404.539 4.133 20 30 HIEDMN N#CCCN(C(=O)CNC1(c2cccc(Br)c2)CCC1)c1ccccc1 ZINC000116538630 853312951 /nfs/dbraw/zinc/31/29/51/853312951.db2.gz KIBXENDJBOCKLG-UHFFFAOYSA-N 0 1 412.331 4.365 20 30 HIEDMN N#CC(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1nc2ccccc2[nH]1 ZINC000195556473 853681687 /nfs/dbraw/zinc/68/16/87/853681687.db2.gz LWDCOERHRWHIFU-WIYYLYMNSA-N 0 1 422.488 4.445 20 30 HIEDMN C=C(C)CN(CC)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000216167009 853846025 /nfs/dbraw/zinc/84/60/25/853846025.db2.gz IWJRIAUXROJIKB-NSHDSACASA-N 0 1 404.146 4.437 20 30 HIEDMN C=CCOc1ccccc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237829432 854105691 /nfs/dbraw/zinc/10/56/91/854105691.db2.gz NRWWWFPZNVKCEE-UHFFFAOYSA-N 0 1 406.448 4.397 20 30 HIEDMN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(Cl)ccc3O)s2)cc1 ZINC000247641356 854159148 /nfs/dbraw/zinc/15/91/48/854159148.db2.gz HJVOFRJTSRZRND-UHFFFAOYSA-N 0 1 402.888 4.313 20 30 HIEDMN Cc1cc(C)c(NC(=O)[C@@H](C)ON=Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000255496782 854216851 /nfs/dbraw/zinc/21/68/51/854216851.db2.gz ZTTKZIWBUQKDAE-QGZVFWFLSA-N 0 1 415.921 4.171 20 30 HIEDMN C[C@@H](O/N=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000301144871 854310117 /nfs/dbraw/zinc/31/01/17/854310117.db2.gz LFBMULFTAJZVBU-UPMNJHNBSA-N 0 1 409.530 4.198 20 30 HIEDMN N#CC(C(=O)c1ccn(-c2cccc(Br)c2)n1)c1nc2ccccc2[nH]1 ZINC000303275927 854847146 /nfs/dbraw/zinc/84/71/46/854847146.db2.gz HKYFGSFEXRAYOV-CQSZACIVSA-N 0 1 406.243 4.001 20 30 HIEDMN Cc1oc(NC(=O)[C@H](C)N(C)CCc2ccc(Br)cc2)c(C#N)c1C ZINC000303279621 854848310 /nfs/dbraw/zinc/84/83/10/854848310.db2.gz IDZDONGVDRWQEJ-ZDUSSCGKSA-N 0 1 404.308 4.032 20 30 HIEDMN C=CCOc1ccc(C(F)(F)F)cc1C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000303830942 855230489 /nfs/dbraw/zinc/23/04/89/855230489.db2.gz OQCYLXAUJDEIAT-UHFFFAOYSA-N 0 1 418.375 4.316 20 30 HIEDMN N#Cc1ccc(NS(=O)(=O)c2ccccc2Br)cc1C(F)(F)F ZINC000303950958 855314011 /nfs/dbraw/zinc/31/40/11/855314011.db2.gz VSBJPFUXXZMQII-UHFFFAOYSA-N 0 1 405.195 4.140 20 30 HIEDMN Cc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000410370809 855957143 /nfs/dbraw/zinc/95/71/43/855957143.db2.gz CHSCQRWLSYHEBL-UHFFFAOYSA-N 0 1 419.222 4.449 20 30 HIEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)C[C@@H](C)O1 ZINC000426165682 856148710 /nfs/dbraw/zinc/14/87/10/856148710.db2.gz JKOPTXUAPNILOX-HZPDHXFCSA-N 0 1 412.921 4.143 20 30 HIEDMN Cc1sc(NC(=O)CN(C)CCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000427004003 856590553 /nfs/dbraw/zinc/59/05/53/856590553.db2.gz CJYLYDLFUJSLGX-UHFFFAOYSA-N 0 1 407.543 4.130 20 30 HIEDMN CCN(CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)CCC(F)(F)F ZINC000427218692 856719247 /nfs/dbraw/zinc/71/92/47/856719247.db2.gz MUGYLZSJEFAEHO-UHFFFAOYSA-N 0 1 405.420 4.355 20 30 HIEDMN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427808237 856964780 /nfs/dbraw/zinc/96/47/80/856964780.db2.gz OZDYIEHYIWUCNO-QHCPKHFHSA-N 0 1 404.470 4.430 20 30 HIEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431696323 858745485 /nfs/dbraw/zinc/74/54/85/858745485.db2.gz DCIGDIXTAIKKOD-QHCPKHFHSA-N 0 1 405.546 4.304 20 30 HIEDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000435562321 860884195 /nfs/dbraw/zinc/88/41/95/860884195.db2.gz DQNFLWOWKZMLNL-GOSISDBHSA-N 0 1 400.526 4.157 20 30 HIEDMN CCN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)c1ccc(C#N)cc1 ZINC000435807485 861074079 /nfs/dbraw/zinc/07/40/79/861074079.db2.gz JBFKTVWTAKNPJX-UHFFFAOYSA-N 0 1 400.526 4.333 20 30 HIEDMN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@@H](O)COCc2cccs2)cc1 ZINC000438728684 864211830 /nfs/dbraw/zinc/21/18/30/864211830.db2.gz CATIALWOJMPVQS-JOCHJYFZSA-N 0 1 410.514 4.339 20 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HIEDMN C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473407363 888126838 /nfs/dbraw/zinc/12/68/38/888126838.db2.gz KDLVBNRCGCAOBR-UHFFFAOYSA-N 0 1 418.277 4.241 20 30 HIEDMN N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cc(C3CCCCC3)[nH]n2)CC1 ZINC000473580632 888321555 /nfs/dbraw/zinc/32/15/55/888321555.db2.gz ATPUMCOVTFTGNK-OAQYLSRUSA-N 0 1 411.937 4.133 20 30 HIEDMN COc1cc(C#N)ccc1Oc1ccc(NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000473944540 888820577 /nfs/dbraw/zinc/82/05/77/888820577.db2.gz LVPFJKCQMAIJQD-UHFFFAOYSA-N 0 1 411.421 4.397 20 30 HIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)n1 ZINC000474435693 889302050 /nfs/dbraw/zinc/30/20/50/889302050.db2.gz CLKXLJZJSHXSAI-LLVKDONJSA-N 0 1 401.385 4.431 20 30 HIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)n1 ZINC000474435693 889302064 /nfs/dbraw/zinc/30/20/64/889302064.db2.gz CLKXLJZJSHXSAI-LLVKDONJSA-N 0 1 401.385 4.431 20 30 HIEDMN CC(C)(C)OCCCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000474967006 889822507 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HIEDMN Cc1ccccc1NC(=O)[C@H](C)N1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328606920 569418770 /nfs/dbraw/zinc/41/87/70/569418770.db2.gz TYPXNLORIHCVEX-RGZWJVDOSA-N 0 1 417.513 4.470 20 30 HIEDMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(C#N)c3cc(Cl)ccc3n1)[C@H]2C ZINC001164862935 721017266 /nfs/dbraw/zinc/01/72/66/721017266.db2.gz RWSNRMQNUXFVQE-HNNXBMFYSA-N 0 1 408.937 4.378 20 30 HIEDMN N#CCSc1ccccc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000012104798 845854395 /nfs/dbraw/zinc/85/43/95/845854395.db2.gz JIDBWQUBMTWHHB-UHFFFAOYSA-N 0 1 401.561 4.274 20 30 HIEDMN N#CCSc1ccccc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000012104798 845854402 /nfs/dbraw/zinc/85/44/02/845854402.db2.gz JIDBWQUBMTWHHB-UHFFFAOYSA-N 0 1 401.561 4.274 20 30 HIEDMN Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000021406126 846439094 /nfs/dbraw/zinc/43/90/94/846439094.db2.gz DLJZQAZKNBNCFR-SFHVURJKSA-N 0 1 410.949 4.055 20 30 HIEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(CN2CCSCC2)cc1 ZINC000436362667 861695398 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HIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OCc1cscn1 ZINC000041540143 848228727 /nfs/dbraw/zinc/22/87/27/848228727.db2.gz RTSXYHDNIIOJNP-OAHLLOKOSA-N 0 1 405.435 4.362 20 30 HIEDMN CCc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1 ZINC000041552544 848230467 /nfs/dbraw/zinc/23/04/67/848230467.db2.gz NPUJXSDWSVFOHU-HNNXBMFYSA-N 0 1 402.351 4.478 20 30 HIEDMN CCc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1 ZINC000041552544 848230481 /nfs/dbraw/zinc/23/04/81/848230481.db2.gz NPUJXSDWSVFOHU-HNNXBMFYSA-N 0 1 402.351 4.478 20 30 HIEDMN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000043496304 848430881 /nfs/dbraw/zinc/43/08/81/848430881.db2.gz JEIZQYGONCZBBH-UHFFFAOYSA-N 0 1 417.557 4.207 20 30 HIEDMN C=CCN(Cc1cccs1)C(=O)NCc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045786256 848727896 /nfs/dbraw/zinc/72/78/96/848727896.db2.gz FCLMFTLYZJVGSE-KDURUIRLSA-N 0 1 413.587 4.255 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000047714195 849095707 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HIEDMN O=C(Nc1nc(-c2ccco2)n[nH]1)[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1 ZINC000065633774 852205289 /nfs/dbraw/zinc/20/52/89/852205289.db2.gz UFDOKWNDZNTSEI-VIFPVBQESA-N 0 1 406.229 4.013 20 30 HIEDMN Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)C(=O)NC3CCCCC3)cc12 ZINC000113140717 853240525 /nfs/dbraw/zinc/24/05/25/853240525.db2.gz IACTXYKKRNUQOT-SFHVURJKSA-N 0 1 406.511 4.167 20 30 HIEDMN COc1ccc([C@H](C)NCC(=O)Nc2cc(Cl)ccc2C#N)cc1Br ZINC000216013036 853842447 /nfs/dbraw/zinc/84/24/47/853842447.db2.gz VBQKWISRNDBXQH-NSHDSACASA-N 0 1 422.710 4.272 20 30 HIEDMN CCN(CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249965688 854192943 /nfs/dbraw/zinc/19/29/43/854192943.db2.gz NPZOYMYISYZCDP-VGSWGCGISA-N 0 1 404.539 4.303 20 30 HIEDMN N#Cc1cc(N2CCCN(Cc3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301363441 854371831 /nfs/dbraw/zinc/37/18/31/854371831.db2.gz RDBHPIMZAFXLCR-UHFFFAOYSA-N 0 1 421.888 4.380 20 30 HIEDMN N#Cc1ccc(CN2CCCN(c3cncc(SCc4ccccc4)n3)CC2)cc1 ZINC000301766379 854462384 /nfs/dbraw/zinc/46/23/84/854462384.db2.gz HHDAOCKGLVXYLX-UHFFFAOYSA-N 0 1 415.566 4.353 20 30 HIEDMN N#Cc1cc(N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)nc2ccc([N+](=O)[O-])cc12 ZINC000301910076 854490490 /nfs/dbraw/zinc/49/04/90/854490490.db2.gz BFGJCAWYHHIONE-IBGZPJMESA-N 0 1 411.425 4.141 20 30 HIEDMN N#Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)nc2ccc([N+](=O)[O-])cc12 ZINC000301910076 854490495 /nfs/dbraw/zinc/49/04/95/854490495.db2.gz BFGJCAWYHHIONE-IBGZPJMESA-N 0 1 411.425 4.141 20 30 HIEDMN N#Cc1cccc(S(=O)(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000437311435 862573087 /nfs/dbraw/zinc/57/30/87/862573087.db2.gz ZQVLIPBNOFDCKR-UHFFFAOYSA-N 0 1 403.385 4.440 20 30 HIEDMN CCc1ccc(-n2nc(C(=O)C(C#N)c3nc4ccccc4n3C)c3c2CCC3)cc1 ZINC000303273267 854845437 /nfs/dbraw/zinc/84/54/37/854845437.db2.gz IAVPSUPPGRUOLS-LJQANCHMSA-N 0 1 409.493 4.300 20 30 HIEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCC[C@@]3(CC=CCC3)C2)c1C#N ZINC000303563449 855041874 /nfs/dbraw/zinc/04/18/74/855041874.db2.gz LONNZMDBKNPKMD-DEOSSOPVSA-N 0 1 406.530 4.379 20 30 HIEDMN N#CCCn1cc(CN2CCC[C@H](Oc3ncccc3F)C2)c(-c2ccccc2)n1 ZINC000425976255 856025663 /nfs/dbraw/zinc/02/56/63/856025663.db2.gz PRLOHODKOUTDPR-FQEVSTJZSA-N 0 1 405.477 4.041 20 30 HIEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C(C)C)CC3)sc2C1 ZINC000426390588 856271183 /nfs/dbraw/zinc/27/11/83/856271183.db2.gz POEWNAASOJDPOG-QGZVFWFLSA-N 0 1 416.635 4.125 20 30 HIEDMN O=C(NC[C@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000426426709 856284375 /nfs/dbraw/zinc/28/43/75/856284375.db2.gz ZJFCUSSXAUXXHN-LJQANCHMSA-N 0 1 400.444 4.199 20 30 HIEDMN Cc1ncc(S(=O)(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)cc1C#N ZINC000427124216 856653645 /nfs/dbraw/zinc/65/36/45/856653645.db2.gz PFVGUGFAOBOKRQ-HXUWFJFHSA-N 0 1 422.897 4.371 20 30 HIEDMN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)c1ccc(F)c(Cl)c1 ZINC000427125684 856654859 /nfs/dbraw/zinc/65/48/59/856654859.db2.gz GHLKGCMIULWWFX-UHFFFAOYSA-N 0 1 422.957 4.260 20 30 HIEDMN C=CCn1c(-c2cccc3cccnc32)nnc1N1CCN(Cc2ccccc2)CC1 ZINC000427245421 856734485 /nfs/dbraw/zinc/73/44/85/856734485.db2.gz ZRPLETFGKDQGHP-UHFFFAOYSA-N 0 1 410.525 4.002 20 30 HIEDMN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427807780 856963904 /nfs/dbraw/zinc/96/39/04/856963904.db2.gz VOWCOILLNYNMBS-UHFFFAOYSA-N 0 1 411.465 4.390 20 30 HIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)[C@H]1OCCc2sccc21 ZINC000429122929 857520637 /nfs/dbraw/zinc/52/06/37/857520637.db2.gz RVMGRBDHMGRMMP-LRAJWGHMSA-N 0 1 415.584 4.373 20 30 HIEDMN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@H](C)c2cccc(O)c2)c1C#N ZINC000429296874 857595248 /nfs/dbraw/zinc/59/52/48/857595248.db2.gz XVPBACZVQCPMBZ-MRXNPFEDSA-N 0 1 420.488 4.159 20 30 HIEDMN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@H](C)c2cccc(O)c2)c1C#N ZINC000429298956 857596648 /nfs/dbraw/zinc/59/66/48/857596648.db2.gz XGYIMNFKECBRFP-OAHLLOKOSA-N 0 1 406.461 4.100 20 30 HIEDMN COc1ccc(CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCc1ccccc1 ZINC000430178765 858068519 /nfs/dbraw/zinc/06/85/19/858068519.db2.gz NBELRNAUZAMWKG-JOCHJYFZSA-N 0 1 415.493 4.194 20 30 HIEDMN N#Cc1ccc(O[C@@H]2CCN(Cc3cc4ccccc4nc3N3CCCCC3)C2)nc1 ZINC000430182684 858070518 /nfs/dbraw/zinc/07/05/18/858070518.db2.gz ZMNZZWLURKQMGH-JOCHJYFZSA-N 0 1 413.525 4.145 20 30 HIEDMN N#CCSc1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000430696779 858272137 /nfs/dbraw/zinc/27/21/37/858272137.db2.gz CTUKSUQTKAIOBG-SFHVURJKSA-N 0 1 419.472 4.325 20 30 HIEDMN N#CCSc1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000430696778 858272430 /nfs/dbraw/zinc/27/24/30/858272430.db2.gz CTUKSUQTKAIOBG-GOSISDBHSA-N 0 1 419.472 4.325 20 30 HIEDMN C[C@@H]1CN(Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430765091 858296224 /nfs/dbraw/zinc/29/62/24/858296224.db2.gz DUSWLHZAWUOWHM-FHAGJXEFSA-N 0 1 406.526 4.296 20 30 HIEDMN CCOC(=O)c1csc(C2CCN(Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000433044872 859496925 /nfs/dbraw/zinc/49/69/25/859496925.db2.gz KRBKLFNAAINNLC-UHFFFAOYSA-N 0 1 413.543 4.382 20 30 HIEDMN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(C)CCCCCO)sc2C1 ZINC000434683373 860458288 /nfs/dbraw/zinc/45/82/88/860458288.db2.gz GGJRRNYNARHIGL-INIZCTEOSA-N 0 1 405.608 4.194 20 30 HIEDMN COc1ccc([C@H]2CCCN2Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000435138001 860660129 /nfs/dbraw/zinc/66/01/29/860660129.db2.gz PCQLEXJXLFGZNO-OAQYLSRUSA-N 0 1 417.513 4.213 20 30 HIEDMN O=C(NC[C@@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000438072832 863457107 /nfs/dbraw/zinc/45/71/07/863457107.db2.gz LJFZGODRQGCBPH-IBGZPJMESA-N 0 1 416.443 4.079 20 30 HIEDMN Cc1cc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000438396148 863845001 /nfs/dbraw/zinc/84/50/01/863845001.db2.gz MSLFJHWNEFFKCR-UHFFFAOYSA-N 0 1 406.530 4.394 20 30 HIEDMN C=C[C@@H](CC(=O)N[C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000438417929 863856622 /nfs/dbraw/zinc/85/66/22/863856622.db2.gz IHFVELIEACSBQH-LIRRHRJNSA-N 0 1 400.404 4.389 20 30 HIEDMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438641438 864078288 /nfs/dbraw/zinc/07/82/88/864078288.db2.gz MKRMUAXHZPGYHA-UHFFFAOYSA-N 0 1 417.435 4.281 20 30 HIEDMN C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1OCC ZINC000438665390 864118408 /nfs/dbraw/zinc/11/84/08/864118408.db2.gz MFDKHTCPALEBKB-UHFFFAOYSA-N 0 1 414.575 4.119 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cccc(C(=O)NC4CC4)c3)n2)cc1 ZINC000439641147 864968110 /nfs/dbraw/zinc/96/81/10/864968110.db2.gz FHIHEOZWJOFSCS-IBGZPJMESA-N 0 1 417.490 4.201 20 30 HIEDMN N#C[C@@H](C(=O)c1cccc(C(=O)NC2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000439645944 864972474 /nfs/dbraw/zinc/97/24/74/864972474.db2.gz KEHHAMMYSDQLGP-HNNXBMFYSA-N 0 1 423.444 4.471 20 30 HIEDMN N#CC(C(=O)c1cccc(C(=O)NC2CC2)c1)c1nc(-c2c(F)cccc2F)cs1 ZINC000439645944 864972484 /nfs/dbraw/zinc/97/24/84/864972484.db2.gz KEHHAMMYSDQLGP-HNNXBMFYSA-N 0 1 423.444 4.471 20 30 HIEDMN O=C(Nc1ccc(F)cc1)C1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439888950 865202122 /nfs/dbraw/zinc/20/21/22/865202122.db2.gz RIKMKIGDEUJJAV-UHFFFAOYSA-N 0 1 420.406 4.427 20 30 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COc1ccccc1S(=O)(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000055629976 850081515 /nfs/dbraw/zinc/08/15/15/850081515.db2.gz DFJRCWPZQBJIFF-UHFFFAOYSA-N 0 1 408.479 4.141 20 30 HIEDMN N#CCCCOc1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000055639981 850087653 /nfs/dbraw/zinc/08/76/53/850087653.db2.gz KHSQGDUWLSXACB-UHFFFAOYSA-N 0 1 400.378 4.069 20 30 HIEDMN C[C@@H](N[C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1C#N ZINC000056144407 850253754 /nfs/dbraw/zinc/25/37/54/850253754.db2.gz VTRFEIUIKGWHCN-QZTJIDSGSA-N 0 1 400.482 4.210 20 30 HIEDMN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000063180981 851628322 /nfs/dbraw/zinc/62/83/22/851628322.db2.gz FDPUEHNKEKVAFQ-UHFFFAOYSA-N 0 1 404.797 4.430 20 30 HIEDMN C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000063657421 851735907 /nfs/dbraw/zinc/73/59/07/851735907.db2.gz JAHHSPDMBQHJLR-QHCPKHFHSA-N 0 1 403.526 4.104 20 30 HIEDMN CC(C)N(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000063751180 851754415 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N#Cc1cnc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000432469702 859179103 /nfs/dbraw/zinc/17/91/03/859179103.db2.gz PLLHIEIJIMLOPT-UHFFFAOYSA-N 0 1 400.829 4.311 20 30 HIEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H](c1ccccc1)C1(CO)CCC1 ZINC000433296444 859622066 /nfs/dbraw/zinc/62/20/66/859622066.db2.gz IHHAVGUJTPCKGZ-FDDCHVKYSA-N 0 1 423.582 4.370 20 30 HIEDMN COc1ccc([C@H](N[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(C)cc2)cc1 ZINC000433699337 859842761 /nfs/dbraw/zinc/84/27/61/859842761.db2.gz MPKJXDYEWYMABC-LOSJGSFVSA-N 0 1 411.505 4.360 20 30 HIEDMN CCn1nccc1C1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000434756999 860483241 /nfs/dbraw/zinc/48/32/41/860483241.db2.gz OMMVFAFOPPBVRC-HXUWFJFHSA-N 0 1 407.562 4.035 20 30 HIEDMN C[C@@H](N[C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000434879220 860531989 /nfs/dbraw/zinc/53/19/89/860531989.db2.gz HWESIXYMUROZFP-IERDGZPVSA-N 0 1 418.522 4.050 20 30 HIEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CC[C@@H](c3ccccc3)[C@H]2C)c1C#N ZINC000434897201 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CC[C@@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)c(OC)c1 ZINC000506640284 915308272 /nfs/dbraw/zinc/30/82/72/915308272.db2.gz WZIWUDVHLFLQSD-CXAGYDPISA-N 0 1 413.543 4.194 20 30 HIEDMN CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(Cl)cc(Br)c1O ZINC000506784240 915509131 /nfs/dbraw/zinc/50/91/31/915509131.db2.gz ZYHVPMJSSUTCOE-INIZCTEOSA-N 0 1 417.687 4.008 20 30 HIEDMN O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000506917736 915719312 /nfs/dbraw/zinc/71/93/12/915719312.db2.gz OOWBYRVSEYXBQF-UHFFFAOYSA-N 0 1 407.249 4.024 20 30 HIEDMN CN(C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccs1 ZINC000513427690 921796774 /nfs/dbraw/zinc/79/67/74/921796774.db2.gz VYYPLDCIXWIRAA-FQEVSTJZSA-N 0 1 405.523 4.231 20 30 HIEDMN Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1OC(F)F ZINC000513433766 921802280 /nfs/dbraw/zinc/80/22/80/921802280.db2.gz YVWDVSYYGAXLDJ-UHFFFAOYSA-N 0 1 406.332 4.288 20 30 HIEDMN CN(CCCc1cc(-c2ccccc2)no1)CC(=O)N(CCC#N)c1ccccc1 ZINC000507192766 915941835 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Cc1csc(C(C#N)C(=O)c2ccc(Cl)c(I)c2)n1 ZINC000048520442 849237742 /nfs/dbraw/zinc/23/77/42/849237742.db2.gz BAJMXSNSPBOUPK-SECBINFHSA-N 0 1 402.644 4.200 20 30 HIEDMN N#CC(C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000048855448 849274611 /nfs/dbraw/zinc/27/46/11/849274611.db2.gz FPGVZNWCYDZWEI-LJQANCHMSA-N 0 1 416.458 4.292 20 30 HIEDMN N#C[C@@H](C(=O)c1occc1CS(=O)(=O)c1ccccc1)c1ccc2ccccc2n1 ZINC000048855448 849274618 /nfs/dbraw/zinc/27/46/18/849274618.db2.gz FPGVZNWCYDZWEI-LJQANCHMSA-N 0 1 416.458 4.292 20 30 HIEDMN CCOc1ccc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cc1[N+](=O)[O-] ZINC000051655579 849498689 /nfs/dbraw/zinc/49/86/89/849498689.db2.gz KOBJWVHTCAXCMX-LBPRGKRZSA-N 0 1 400.341 4.228 20 30 HIEDMN CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340381 849849639 /nfs/dbraw/zinc/84/96/39/849849639.db2.gz FPLOUOFTKCFWGD-SFHVURJKSA-N 0 1 409.530 4.007 20 30 HIEDMN CCCCOc1cccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000054451789 849870265 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N#CCSc1cccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000431036476 858412354 /nfs/dbraw/zinc/41/23/54/858412354.db2.gz JATBMYFFVSOAMF-UHFFFAOYSA-N 0 1 403.511 4.107 20 30 HIEDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431452124 858623755 /nfs/dbraw/zinc/62/37/55/858623755.db2.gz MFSLZXYGFJARKK-AUSIDOKSSA-N 0 1 405.546 4.341 20 30 HIEDMN Cc1c(C#N)cccc1NC(=O)N[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000432275104 859079716 /nfs/dbraw/zinc/07/97/16/859079716.db2.gz ALJGBPDPWNXQAM-SFHVURJKSA-N 0 1 402.420 4.282 20 30 HIEDMN C=CCN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(Cl)s1 ZINC000432969007 859454312 /nfs/dbraw/zinc/45/43/12/859454312.db2.gz BLKLHFALFXXNGQ-UHFFFAOYSA-N 0 1 412.342 4.171 20 30 HIEDMN CC1(C)C[C@H](NCc2cn(CCC#N)nc2-c2ccncc2)c2ccc(F)cc2O1 ZINC000433324412 859642423 /nfs/dbraw/zinc/64/24/23/859642423.db2.gz AYSQXZVRFKZCIM-FQEVSTJZSA-N 0 1 405.477 4.390 20 30 HIEDMN N#CCCn1cc(CNCc2ccccc2OC2CCCC2)c(-c2ccncc2)n1 ZINC000433335900 859650963 /nfs/dbraw/zinc/65/09/63/859650963.db2.gz RKXAILKFVGGCPY-UHFFFAOYSA-N 0 1 401.514 4.470 20 30 HIEDMN CN1CC[C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433361286 859660019 /nfs/dbraw/zinc/66/00/19/859660019.db2.gz CGYDKQVIEORBLJ-KNKQGSTJSA-N 0 1 413.924 4.361 20 30 HIEDMN C[C@H](N[C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000434879219 860531813 /nfs/dbraw/zinc/53/18/13/860531813.db2.gz HWESIXYMUROZFP-HRAATJIYSA-N 0 1 418.522 4.050 20 30 HIEDMN CCCOc1ccc2c(c1)CCN(Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000435135214 860657356 /nfs/dbraw/zinc/65/73/56/860657356.db2.gz NENVGBVFEGPSDG-UHFFFAOYSA-N 0 1 401.514 4.206 20 30 HIEDMN Cc1cccc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)c1Br ZINC000435141461 860661782 /nfs/dbraw/zinc/66/17/82/860661782.db2.gz PAKFDOMDBYUJMW-UHFFFAOYSA-N 0 1 409.305 4.241 20 30 HIEDMN CC(=Cc1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435339227 860749335 /nfs/dbraw/zinc/74/93/35/860749335.db2.gz QMBQXIGNXQWINV-RAXLEYEMSA-N 0 1 404.857 4.416 20 30 HIEDMN O=C(NC[C@H]1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000438072833 863455889 /nfs/dbraw/zinc/45/58/89/863455889.db2.gz LJFZGODRQGCBPH-LJQANCHMSA-N 0 1 416.443 4.079 20 30 HIEDMN COCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1 ZINC000467835451 881669088 /nfs/dbraw/zinc/66/90/88/881669088.db2.gz UBHMBNSQADSKQP-HNNXBMFYSA-N 0 1 421.407 4.254 20 30 HIEDMN COCc1c(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)cnn1-c1ccccc1 ZINC000467835451 881669098 /nfs/dbraw/zinc/66/90/98/881669098.db2.gz UBHMBNSQADSKQP-HNNXBMFYSA-N 0 1 421.407 4.254 20 30 HIEDMN COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)N(C)C)c1 ZINC000438641646 864078199 /nfs/dbraw/zinc/07/81/99/864078199.db2.gz NAJFBFDEJVUYBH-SFHVURJKSA-N 0 1 406.408 4.010 20 30 HIEDMN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC(F)F)cc1Br ZINC000438759098 864252311 /nfs/dbraw/zinc/25/23/11/864252311.db2.gz QPANSJUHPLSZBE-UHFFFAOYSA-N 0 1 417.231 4.031 20 30 HIEDMN CCCc1c(NS(=O)(=O)c2ccc(OC(C)C)cc2)cnn1-c1cccc(C#N)c1 ZINC000438842347 864336980 /nfs/dbraw/zinc/33/69/80/864336980.db2.gz PBXIBYKWKTVWRU-UHFFFAOYSA-N 0 1 424.526 4.284 20 30 HIEDMN CSc1ccc([C@@H](C)NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000439471861 864843474 /nfs/dbraw/zinc/84/34/74/864843474.db2.gz RSSUOXRIJPSJJH-OAHLLOKOSA-N 0 1 406.473 4.246 20 30 HIEDMN CCCc1c(NC(=O)NC[C@H](c2ccsc2)N(C)C)cnn1-c1cccc(C#N)c1 ZINC000439679177 865014730 /nfs/dbraw/zinc/01/47/30/865014730.db2.gz GJZRRYWBTMOQBB-OAQYLSRUSA-N 0 1 422.558 4.182 20 30 HIEDMN CC(C)(Cc1ccc(Br)cc1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000440335061 865615992 /nfs/dbraw/zinc/61/59/92/865615992.db2.gz VFWHFZBXNGLYQC-UHFFFAOYSA-N 0 1 411.303 4.482 20 30 HIEDMN CCCC[C@H](NCc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440819426 865933942 /nfs/dbraw/zinc/93/39/42/865933942.db2.gz MAYZXAGPYRUAEM-QHCPKHFHSA-N 0 1 420.557 4.454 20 30 HIEDMN CCCOc1ccc2c(c1)CCN(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000441061235 866141206 /nfs/dbraw/zinc/14/12/06/866141206.db2.gz JDACVMMFLDSXAC-UHFFFAOYSA-N 0 1 409.555 4.284 20 30 HIEDMN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441232481 866307472 /nfs/dbraw/zinc/30/74/72/866307472.db2.gz SSIARSWWBPOOSM-VQTJNVASSA-N 0 1 412.578 4.169 20 30 HIEDMN CS(=O)(=O)c1cccc([C@H](NCC2CCC(C#N)CC2)c2cc(F)ccc2F)c1 ZINC000442879984 867712719 /nfs/dbraw/zinc/71/27/19/867712719.db2.gz XSHVUHCJLXMISY-LGHDPPOTSA-N 0 1 418.509 4.377 20 30 HIEDMN N#Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1O ZINC000443062334 867807052 /nfs/dbraw/zinc/80/70/52/867807052.db2.gz WTPNZKYXMOGQTD-UHFFFAOYSA-N 0 1 400.257 4.402 20 30 HIEDMN COc1ccccc1-c1noc(C2CCN(Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000443070062 867809773 /nfs/dbraw/zinc/80/97/73/867809773.db2.gz QFBPACACBNXTDJ-UHFFFAOYSA-N 0 1 404.470 4.005 20 30 HIEDMN C[C@@H](N[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(Br)s1 ZINC000443338006 867911422 /nfs/dbraw/zinc/91/14/22/867911422.db2.gz YGCKBLQOBFHPNE-NTXUUIFSSA-N 0 1 412.397 4.481 20 30 HIEDMN N#Cc1cc(Cl)ccc1S(=O)(=O)N[C@H](c1c[nH]c2ccccc21)C(F)(F)F ZINC000443439841 868024949 /nfs/dbraw/zinc/02/49/49/868024949.db2.gz CCFLWPSYJGKWNW-MRXNPFEDSA-N 0 1 413.808 4.275 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cc1Cl ZINC000443525869 868084140 /nfs/dbraw/zinc/08/41/40/868084140.db2.gz BINATAKNGYSBFV-UHFFFAOYSA-N 0 1 422.787 4.483 20 30 HIEDMN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1OC ZINC000447778769 871708205 /nfs/dbraw/zinc/70/82/05/871708205.db2.gz RDILKAKVRRAXGQ-UHFFFAOYSA-N 0 1 420.796 4.048 20 30 HIEDMN OC[C@H]1CN(Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870070 875898955 /nfs/dbraw/zinc/89/89/55/875898955.db2.gz YSQOLASWKMIVEW-DGCLKSJQSA-N 0 1 407.301 4.008 20 30 HIEDMN N#Cc1ccc(C[C@H](C#N)c2nc(-c3ccc4[nH]c(-c5cscn5)nc4c3)no2)cc1 ZINC000463172568 876228452 /nfs/dbraw/zinc/22/84/52/876228452.db2.gz MTILAQFHUIYDPV-MRXNPFEDSA-N 0 1 423.461 4.458 20 30 HIEDMN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463377641 876432900 /nfs/dbraw/zinc/43/29/00/876432900.db2.gz VWRRIWOHRXHDGW-OAHLLOKOSA-N 0 1 403.320 4.127 20 30 HIEDMN C[C@H](NCc1ccc(CC#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463377639 876433631 /nfs/dbraw/zinc/43/36/31/876433631.db2.gz VWRRIWOHRXHDGW-HNNXBMFYSA-N 0 1 403.320 4.127 20 30 HIEDMN FC(F)C(F)(F)COCC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000469000092 883065171 /nfs/dbraw/zinc/06/51/71/883065171.db2.gz QCGAEUPLFZIBEH-UHFFFAOYSA-N 0 1 416.381 4.130 20 30 HIEDMN N#CC(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464464092 877686349 /nfs/dbraw/zinc/68/63/49/877686349.db2.gz CTCPBNUUFHIIHP-HNNXBMFYSA-N 0 1 404.779 4.489 20 30 HIEDMN N#CC(C(=O)c1cnn(Cc2ccccc2Cl)c1)c1cc(C(F)(F)F)ccn1 ZINC000464464094 877686707 /nfs/dbraw/zinc/68/67/07/877686707.db2.gz CTCPBNUUFHIIHP-OAHLLOKOSA-N 0 1 404.779 4.489 20 30 HIEDMN CCN(CC)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000465424965 878854277 /nfs/dbraw/zinc/85/42/77/878854277.db2.gz DFEGRAJCPXBWGJ-HXUWFJFHSA-N 0 1 402.901 4.233 20 30 HIEDMN N#CCSCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000466708823 880500311 /nfs/dbraw/zinc/50/03/11/880500311.db2.gz UYXGUNLKZCUQQA-UHFFFAOYSA-N 0 1 401.526 4.319 20 30 HIEDMN C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CN1Cc1ccccc1 ZINC000467043888 880838799 /nfs/dbraw/zinc/83/87/99/880838799.db2.gz HFAQZTSHCNSGIY-RXVVDRJESA-N 0 1 415.493 4.123 20 30 HIEDMN N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H](c3nnc[nH]3)c3ccccc3)cc2)cc1 ZINC000467154790 880889679 /nfs/dbraw/zinc/88/96/79/880889679.db2.gz HPVCZRAUJIBFDN-OAQYLSRUSA-N 0 1 410.437 4.380 20 30 HIEDMN CC[C@@H](CO)N(CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000467198096 880927547 /nfs/dbraw/zinc/92/75/47/880927547.db2.gz WXHZCPOWSGCOLF-NRFANRHFSA-N 0 1 422.573 4.303 20 30 HIEDMN N#Cc1ccc([C@@H](NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C(N)=O)cc1 ZINC000469216932 883315516 /nfs/dbraw/zinc/31/55/16/883315516.db2.gz IIWCHNQMOGURRY-QGZVFWFLSA-N 0 1 407.823 4.078 20 30 HIEDMN CN(C)[C@@H](CNC(=O)N(C)Cc1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000470277313 884638282 /nfs/dbraw/zinc/63/82/82/884638282.db2.gz WGGKSHADFYMGRL-IBGZPJMESA-N 0 1 404.436 4.021 20 30 HIEDMN COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(-c4n[nH]c(C)n4)cc3)n2)cc1 ZINC000470568708 884985330 /nfs/dbraw/zinc/98/53/30/884985330.db2.gz FGHSAPGZRDWVGP-GOSISDBHSA-N 0 1 415.478 4.402 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(-c4n[nH]c(C)n4)cc3)n2)cc1 ZINC000470568708 884985349 /nfs/dbraw/zinc/98/53/49/884985349.db2.gz FGHSAPGZRDWVGP-GOSISDBHSA-N 0 1 415.478 4.402 20 30 HIEDMN CCc1c(C(=O)C(C#N)c2nc3ccccc3n2C)cnn1-c1ccc(Cl)cc1 ZINC000473485609 888206609 /nfs/dbraw/zinc/20/66/09/888206609.db2.gz AJATYVMLHRTYKV-INIZCTEOSA-N 0 1 403.873 4.465 20 30 HIEDMN N#CCc1ccc(OCc2ccccc2NC(=O)c2ccc(-c3nnc[nH]3)cc2)cc1 ZINC000473852731 888703110 /nfs/dbraw/zinc/70/31/10/888703110.db2.gz JXFMFPQEZNPVTG-UHFFFAOYSA-N 0 1 409.449 4.369 20 30 HIEDMN COc1ccc([C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)N2CCCCC2)cc1 ZINC000474197521 889035509 /nfs/dbraw/zinc/03/55/09/889035509.db2.gz LSBDFEKMCKXCHX-VWNXMTODSA-N 0 1 405.542 4.426 20 30 HIEDMN N#CCSc1ccccc1NC(=O)CN(Cc1ccccc1)CC1(O)CCCC1 ZINC000474240979 889087675 /nfs/dbraw/zinc/08/76/75/889087675.db2.gz SQNZSOBYVVYSAM-UHFFFAOYSA-N 0 1 409.555 4.048 20 30 HIEDMN COC(=O)C[C@](C)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccncc1 ZINC000475085112 889930658 /nfs/dbraw/zinc/93/06/58/889930658.db2.gz DSOYOUKYIAKXCR-VWLOTQADSA-N 0 1 415.493 4.100 20 30 HIEDMN N#CC[C@H](CC(=O)Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccccc1 ZINC000475310031 890223317 /nfs/dbraw/zinc/22/33/17/890223317.db2.gz BMIHWWJHONZMSN-OAHLLOKOSA-N 0 1 410.275 4.260 20 30 HIEDMN C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)C(=O)N1Cc2ccccc2C1 ZINC000475495133 890402166 /nfs/dbraw/zinc/40/21/66/890402166.db2.gz ROOCEJIPSNFGBM-LJQANCHMSA-N 0 1 411.505 4.158 20 30 HIEDMN N#Cc1ccc(CSc2nnc(NC(=O)c3c(F)ccc(F)c3F)s2)cc1 ZINC000475599713 890526447 /nfs/dbraw/zinc/52/64/47/890526447.db2.gz ITLCBXUNMUDRHZ-UHFFFAOYSA-N 0 1 406.414 4.372 20 30 HIEDMN Cc1cc(CN[C@@H](CO)c2ccc(Br)cc2C(F)(F)F)ccc1C#N ZINC000475624557 890561119 /nfs/dbraw/zinc/56/11/19/890561119.db2.gz KRRIEPGSYCBCKO-KRWDZBQOSA-N 0 1 413.237 4.471 20 30 HIEDMN 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HIEDMN N#Cc1ccc(CN2CCCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000055512851 850043493 /nfs/dbraw/zinc/04/34/93/850043493.db2.gz DYPBPKWROBKZNT-UHFFFAOYSA-N 0 1 412.537 4.220 20 30 HIEDMN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)c1 ZINC000055638438 850086864 /nfs/dbraw/zinc/08/68/64/850086864.db2.gz AQWCBADEWVERDN-UHFFFAOYSA-N 0 1 411.405 4.116 20 30 HIEDMN Cc1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)c(C)s1 ZINC000055652352 850098275 /nfs/dbraw/zinc/09/82/75/850098275.db2.gz PAEHMMDSWNNTLW-UHFFFAOYSA-N 0 1 411.508 4.290 20 30 HIEDMN COc1cc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000056153928 850258864 /nfs/dbraw/zinc/25/88/64/850258864.db2.gz IGTCAOBOQAHZPH-KGLIPLIRSA-N 0 1 401.894 4.215 20 30 HIEDMN CSc1nc(C2CC2)cc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)c1C#N ZINC000058531672 850847350 /nfs/dbraw/zinc/84/73/50/850847350.db2.gz UYIUXHHHROLCIP-UHFFFAOYSA-N 0 1 424.545 4.086 20 30 HIEDMN Cc1nn(-c2ccccc2C)c(C)c1CN(C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000063559716 851714162 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CC[C@H](C#N)Oc1cc(CNCc2c(C)nn(-c3ccccc3)c2C)ccc1OC ZINC000236895739 853934245 /nfs/dbraw/zinc/93/42/45/853934245.db2.gz QTFYBWZUYQVLGO-OAQYLSRUSA-N 0 1 404.514 4.469 20 30 HIEDMN N#CCCn1cc(CNCc2ccnc(OC3CCCC3)c2)c(-c2ccccc2)n1 ZINC000237832619 854105429 /nfs/dbraw/zinc/10/54/29/854105429.db2.gz XIQGHNJSGUCDKG-UHFFFAOYSA-N 0 1 401.514 4.470 20 30 HIEDMN N#CCCn1cc(CNCc2cccnc2OCC(F)(F)F)c(-c2ccccc2)n1 ZINC000237907734 854117741 /nfs/dbraw/zinc/11/77/41/854117741.db2.gz VFVBAMWDWOKVDY-UHFFFAOYSA-N 0 1 415.419 4.090 20 30 HIEDMN N#Cc1c(Cl)nsc1Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000301940086 854499167 /nfs/dbraw/zinc/49/91/67/854499167.db2.gz YXLSZNKKFAKJHK-UHFFFAOYSA-N 0 1 410.934 4.129 20 30 HIEDMN N#Cc1ccc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1Cl ZINC000301985348 854509643 /nfs/dbraw/zinc/50/96/43/854509643.db2.gz LHKCTRUWMUCNFQ-UHFFFAOYSA-N 0 1 413.934 4.078 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)NCCCCCc3ccccc3)CC2)cc1 ZINC000303228401 854826478 /nfs/dbraw/zinc/82/64/78/854826478.db2.gz 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N#CC1(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)CCN(Cc2ccccc2)CC1 ZINC000482548136 898138464 /nfs/dbraw/zinc/13/84/64/898138464.db2.gz GHTWIIYOOLQAKL-UHFFFAOYSA-N 0 1 419.916 4.018 20 30 HIEDMN C=C(C)[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)N(C)C)c1ccc(F)c(F)c1 ZINC000482626721 898229861 /nfs/dbraw/zinc/22/98/61/898229861.db2.gz BRKDQZBIESMCNF-RTWAWAEBSA-N 0 1 403.473 4.193 20 30 HIEDMN C=C(C)[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)N(C)C)c1ccc(F)c(F)c1 ZINC000482626722 898230419 /nfs/dbraw/zinc/23/04/19/898230419.db2.gz BRKDQZBIESMCNF-SFTDATJTSA-N 0 1 403.473 4.193 20 30 HIEDMN COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(SCC#N)c3)CCN2C2CC2)c1 ZINC000482790694 898398805 /nfs/dbraw/zinc/39/88/05/898398805.db2.gz HUNFDVDJKYKFKU-VXKWHMMOSA-N 0 1 407.539 4.019 20 30 HIEDMN CCCN(CCC)C(=O)c1cccc(C(=O)C(C#N)c2cnc3ccccc3n2)c1 ZINC000483208921 898859488 /nfs/dbraw/zinc/85/94/88/898859488.db2.gz BAPLLVBVWIDEKM-LJQANCHMSA-N 0 1 400.482 4.382 20 30 HIEDMN COCc1nc2sc(C(=O)C(C#N)c3nccc4ccccc43)c(C)c2c(OC)n1 ZINC000483220446 898865964 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/nfs/dbraw/zinc/53/65/19/938536519.db2.gz NHRRTOZMJZOUEH-HNNXBMFYSA-N 0 1 409.490 4.289 20 30 HIEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H](c2cnn(C)c2)C(C)(C)C)c1C#N ZINC000538275758 938581233 /nfs/dbraw/zinc/58/12/33/938581233.db2.gz KLHMIEOYSMXVJK-QFIPXVFZSA-N 0 1 418.545 4.015 20 30 HIEDMN C=CCCC[C@H](C)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C ZINC000538332562 938595378 /nfs/dbraw/zinc/59/53/78/938595378.db2.gz HNGSLPANINQGOP-KRWDZBQOSA-N 0 1 416.543 4.279 20 30 HIEDMN CN(Cc1cccc(C#N)c1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000538467418 938628822 /nfs/dbraw/zinc/62/88/22/938628822.db2.gz FFTRWPFSVDJCES-HXUWFJFHSA-N 0 1 401.432 4.200 20 30 HIEDMN C[C@H](NCC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539279153 938832569 /nfs/dbraw/zinc/83/25/69/938832569.db2.gz DOYQXRXADIHRTH-INIZCTEOSA-N 0 1 416.456 4.239 20 30 HIEDMN CC(C)Oc1ccccc1[C@@H](C)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540325358 939194899 /nfs/dbraw/zinc/19/48/99/939194899.db2.gz CUDSQSINRWJHPM-QGZVFWFLSA-N 0 1 418.459 4.311 20 30 HIEDMN CCOc1ccc([C@H](NCC(=O)Nc2oc(C)c(C)c2C#N)C(C)C)cc1OCC ZINC000540342337 939200642 /nfs/dbraw/zinc/20/06/42/939200642.db2.gz AFVRZPQWPVDGEJ-JOCHJYFZSA-N 0 1 413.518 4.491 20 30 HIEDMN C[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000540352589 939204437 /nfs/dbraw/zinc/20/44/37/939204437.db2.gz QFTMQHYPUFPKMR-INIZCTEOSA-N 0 1 420.900 4.475 20 30 HIEDMN CC(C)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1Cl ZINC000540390344 939229126 /nfs/dbraw/zinc/22/91/26/939229126.db2.gz OIHNTSUTEQFKQV-OAQYLSRUSA-N 0 1 407.905 4.323 20 30 HIEDMN N#CCC1CCN(CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000541020176 939432120 /nfs/dbraw/zinc/43/21/20/939432120.db2.gz MPKYKVZOAAMDNI-JOCHJYFZSA-N 0 1 400.526 4.042 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)c(Cl)c1 ZINC000541311988 939490458 /nfs/dbraw/zinc/49/04/58/939490458.db2.gz NSWIOSRUJRZIEF-AWEZNQCLSA-N 0 1 410.751 4.072 20 30 HIEDMN COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)N2CCCC2)c1 ZINC000541447793 939518941 /nfs/dbraw/zinc/51/89/41/939518941.db2.gz JUOYDXBQDVFZCL-DEOSSOPVSA-N 0 1 418.541 4.078 20 30 HIEDMN CC[C@H](N[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000541602826 939566169 /nfs/dbraw/zinc/56/61/69/939566169.db2.gz AHVIBORMSXGLSX-KDOFPFPSSA-N 0 1 413.591 4.307 20 30 HIEDMN COc1ccc(-c2nc(C)c([C@@H](C)NCC(=O)NC3(C#N)CCCCC3)s2)cc1 ZINC000541641400 939582882 /nfs/dbraw/zinc/58/28/82/939582882.db2.gz BKTQBLDXHDOYAW-OAHLLOKOSA-N 0 1 412.559 4.120 20 30 HIEDMN C[C@@H](NCC(=O)Nc1nc2c(s1)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944747 939883464 /nfs/dbraw/zinc/88/34/64/939883464.db2.gz FLOPPAJKMPYSQM-OAHLLOKOSA-N 0 1 402.523 4.460 20 30 HIEDMN CC(C)([C@H](NCC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1)N1CCCC1 ZINC000543449819 940066695 /nfs/dbraw/zinc/06/66/95/940066695.db2.gz RTPRCFLEMJXBGO-LJQANCHMSA-N 0 1 418.513 4.042 20 30 HIEDMN COc1ccc(-c2nc(C)c([C@H](C)NCC(=O)Nc3oc(C)c(C)c3C#N)s2)cc1 ZINC000543500324 940086769 /nfs/dbraw/zinc/08/67/69/940086769.db2.gz YVXPSEUTMUJULP-ZDUSSCGKSA-N 0 1 424.526 4.498 20 30 HIEDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000543514163 940091817 /nfs/dbraw/zinc/09/18/17/940091817.db2.gz ZOEUIKVNIHFMJB-XLDJFRKUSA-N 0 1 402.539 4.351 20 30 HIEDMN C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCN1C ZINC000543608360 940129193 /nfs/dbraw/zinc/12/91/93/940129193.db2.gz GKQANXPRUYOMFK-CVEARBPZSA-N 0 1 412.921 4.347 20 30 HIEDMN C[C@@H]1[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCN1C ZINC000543608364 940129321 /nfs/dbraw/zinc/12/93/21/940129321.db2.gz GKQANXPRUYOMFK-HZPDHXFCSA-N 0 1 412.921 4.347 20 30 HIEDMN COCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543876116 940220848 /nfs/dbraw/zinc/22/08/48/940220848.db2.gz ZJSWDHCXLJGDQC-LJQANCHMSA-N 0 1 413.521 4.339 20 30 HIEDMN C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2CN3CCC[C@@]3(C)CO2)no1 ZINC000563816890 945305117 /nfs/dbraw/zinc/30/51/17/945305117.db2.gz WCRPJDCMUASFLJ-LPHOPBHVSA-N 0 1 409.408 4.246 20 30 HIEDMN N#Cc1ccc(-c2ccccc2)nc1SC[C@H](O)CN1CCc2ccccc2C1 ZINC000544023625 940302362 /nfs/dbraw/zinc/30/23/62/940302362.db2.gz CLJWKWIKDFDKIX-JOCHJYFZSA-N 0 1 401.535 4.132 20 30 HIEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000544470004 940445123 /nfs/dbraw/zinc/44/51/23/940445123.db2.gz VINLJJJUCAAPJX-KRWDZBQOSA-N 0 1 404.518 4.033 20 30 HIEDMN CCC[C@@H]1CCCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000544530305 940472792 /nfs/dbraw/zinc/47/27/92/940472792.db2.gz NKZQYRKNMPPQSF-MOPGFXCFSA-N 0 1 412.578 4.011 20 30 HIEDMN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000544736742 940509017 /nfs/dbraw/zinc/50/90/17/940509017.db2.gz GWHAMCNVEGOXIO-UHFFFAOYSA-N 0 1 416.506 4.452 20 30 HIEDMN CC(C)c1nccn1Cc1cccc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000546563694 940854410 /nfs/dbraw/zinc/85/44/10/940854410.db2.gz HHGMURTWCBJBIV-UHFFFAOYSA-N 0 1 414.918 4.381 20 30 HIEDMN N#CC(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1)c1ccncn1 ZINC000546860222 940896789 /nfs/dbraw/zinc/89/67/89/940896789.db2.gz JFNYAKWCUTZMRC-LJQANCHMSA-N 0 1 420.432 4.020 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3cc4c(cc3OC)OCO4)n2)cc1 ZINC000546861836 940897385 /nfs/dbraw/zinc/89/73/85/940897385.db2.gz PTOBTDVQPGCLKP-OAHLLOKOSA-N 0 1 408.435 4.046 20 30 HIEDMN COc1ccc(-c2csc([C@H](C#N)C(=O)c3cc4c(cc3OC)OCO4)n2)cc1 ZINC000546861836 940897386 /nfs/dbraw/zinc/89/73/86/940897386.db2.gz PTOBTDVQPGCLKP-OAHLLOKOSA-N 0 1 408.435 4.046 20 30 HIEDMN C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)C1(c2ccccc2)CC1 ZINC000564049013 945362490 /nfs/dbraw/zinc/36/24/90/945362490.db2.gz FBPMRLYBJPHEEY-IBGZPJMESA-N 0 1 424.614 4.274 20 30 HIEDMN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2c1CN(CCC(C)C)C2 ZINC000551651251 941518852 /nfs/dbraw/zinc/51/88/52/941518852.db2.gz XWRCDHSSHWCXCM-UHFFFAOYSA-N 0 1 407.562 4.347 20 30 HIEDMN C=CCC[C@@H](NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccco1 ZINC000552253443 941614461 /nfs/dbraw/zinc/61/44/61/941614461.db2.gz DBAUWLYFUWTSBW-GHTZIAJQSA-N 0 1 402.560 4.497 20 30 HIEDMN CN(CCCN(C)C(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccco1 ZINC000552739650 941749426 /nfs/dbraw/zinc/74/94/26/941749426.db2.gz STGZRJWUSZJMOY-UHFFFAOYSA-N 0 1 417.509 4.324 20 30 HIEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)n1 ZINC000553260653 941858084 /nfs/dbraw/zinc/85/80/84/941858084.db2.gz VRYVRFHEHGPIKP-CYBMUJFWSA-N 0 1 419.484 4.219 20 30 HIEDMN C=CCOc1ccc(CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000553901174 941994722 /nfs/dbraw/zinc/99/47/22/941994722.db2.gz LBCQQAUDKZGJAU-UHFFFAOYSA-N 0 1 413.949 4.369 20 30 HIEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000554479790 942157063 /nfs/dbraw/zinc/15/70/63/942157063.db2.gz XBGKRFYXPTVZRS-NRFANRHFSA-N 0 1 413.566 4.372 20 30 HIEDMN COc1cc(CN2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1C#N ZINC000554879413 942305817 /nfs/dbraw/zinc/30/58/17/942305817.db2.gz RSKQOXUEWFBTLP-UHFFFAOYSA-N 0 1 420.431 4.035 20 30 HIEDMN COc1cc([C@H](C)NCc2cnc3c(C#N)cnn3c2)ccc1OCc1ccccc1 ZINC000555527677 942628276 /nfs/dbraw/zinc/62/82/76/942628276.db2.gz LSBAVOZAULICFB-KRWDZBQOSA-N 0 1 413.481 4.039 20 30 HIEDMN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@H]1CCCCO1 ZINC000557376243 943092564 /nfs/dbraw/zinc/09/25/64/943092564.db2.gz GRPLCICTFVYJFF-JOCHJYFZSA-N 0 1 422.573 4.245 20 30 HIEDMN CN(CCCN(C)C(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccco1 ZINC000557769966 943286742 /nfs/dbraw/zinc/28/67/42/943286742.db2.gz HMVPLMRKYLHJHM-UHFFFAOYSA-N 0 1 417.509 4.324 20 30 HIEDMN CN(CCCN(C)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1)Cc1ccco1 ZINC000557771486 943286911 /nfs/dbraw/zinc/28/69/11/943286911.db2.gz MTCOVCCQVRUUBG-UHFFFAOYSA-N 0 1 402.498 4.489 20 30 HIEDMN N#Cc1ccc(NC(=O)CN[C@@H](c2cncc(Br)c2)C2CC2)cc1Cl ZINC000560182637 944189499 /nfs/dbraw/zinc/18/94/99/944189499.db2.gz OAMQBJGTJBDGBK-GOSISDBHSA-N 0 1 419.710 4.049 20 30 HIEDMN O=S(=O)(Nc1ccc(OC(F)F)cc1F)c1c(F)cccc1OC(F)(F)F ZINC000561695837 944751510 /nfs/dbraw/zinc/75/15/10/944751510.db2.gz RVUZFRZNNGSKBL-UHFFFAOYSA-N 0 1 419.274 4.266 20 30 HIEDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000561729105 944767168 /nfs/dbraw/zinc/76/71/68/944767168.db2.gz DLKGDFXZDFHBHF-UHFFFAOYSA-N 0 1 409.530 4.225 20 30 HIEDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1OC ZINC000561928271 944860687 /nfs/dbraw/zinc/86/06/87/944860687.db2.gz CCBUQEFTQFFIKK-IAGOWNOFSA-N 0 1 413.493 4.137 20 30 HIEDMN COc1ccc([C@H](C)N[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1OC ZINC000561928270 944860823 /nfs/dbraw/zinc/86/08/23/944860823.db2.gz CCBUQEFTQFFIKK-DLBZAZTESA-N 0 1 413.493 4.137 20 30 HIEDMN CN(C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1 ZINC000562098313 944937111 /nfs/dbraw/zinc/93/71/11/944937111.db2.gz XKMFZXFKSRHHGH-QFIPXVFZSA-N 0 1 419.460 4.309 20 30 HIEDMN CN(CCC(F)(F)F)[C@H](CNCc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000564415777 945566435 /nfs/dbraw/zinc/56/64/35/945566435.db2.gz SPCCKZIZEWFQDI-OAHLLOKOSA-N 0 1 402.873 4.383 20 30 HIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000565450417 945833722 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ZINC000538205700 938553533 /nfs/dbraw/zinc/55/35/33/938553533.db2.gz ZEUHAEIHHCQEES-CABCVRRESA-N 0 1 401.532 4.184 20 30 HIEDMN Cc1ccc([C@H](C)NCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538277479 938581741 /nfs/dbraw/zinc/58/17/41/938581741.db2.gz QERCPBDQDMBWLG-HNNXBMFYSA-N 0 1 400.866 4.154 20 30 HIEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C)[C@@H](C)[C@H]3C)sc2C1 ZINC000538946104 938744035 /nfs/dbraw/zinc/74/40/35/938744035.db2.gz LWJWLTKOCOAERB-GVDBMIGSSA-N 0 1 416.635 4.124 20 30 HIEDMN CC[C@@H](NCC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)N(C)C ZINC000539088793 938800441 /nfs/dbraw/zinc/80/04/41/938800441.db2.gz ZJBFWCZJRHVTTE-HXUWFJFHSA-N 0 1 418.459 4.265 20 30 HIEDMN COc1cc([C@H](C)NCC(=O)Nc2sccc2C#N)ccc1OCc1ccccc1 ZINC000539251821 938826175 /nfs/dbraw/zinc/82/61/75/938826175.db2.gz AZVJQKNNUQAFSJ-INIZCTEOSA-N 0 1 421.522 4.497 20 30 HIEDMN C[C@@H](NCC(=O)NCc1cccc(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000539265289 938829854 /nfs/dbraw/zinc/82/98/54/938829854.db2.gz GYDMGYMTMQFCSG-QGZVFWFLSA-N 0 1 403.457 4.457 20 30 HIEDMN COc1cc([C@H](C)NCC(=O)N(C)C2(C#N)CCCCC2)ccc1OCC(C)C ZINC000539269187 938830722 /nfs/dbraw/zinc/83/07/22/938830722.db2.gz ATIPITPPVHXCEB-SFHVURJKSA-N 0 1 401.551 4.065 20 30 HIEDMN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304969 938837737 /nfs/dbraw/zinc/83/77/37/938837737.db2.gz DQTQAXUWIVKGHW-SFHVURJKSA-N 0 1 409.505 4.398 20 30 HIEDMN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CNC(C)(C)c1cccc(Cl)c1 ZINC000539312314 938839257 /nfs/dbraw/zinc/83/92/57/938839257.db2.gz JWSCHAVLRYCOFK-UHFFFAOYSA-N 0 1 416.953 4.130 20 30 HIEDMN COc1ccccc1[C@H](CC(C)C)NCC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000539377918 938851557 /nfs/dbraw/zinc/85/15/57/938851557.db2.gz WVKHCNGNIDHJTI-NRFANRHFSA-N 0 1 417.513 4.068 20 30 HIEDMN C[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1C(F)(F)F ZINC000540459884 939261549 /nfs/dbraw/zinc/26/15/49/939261549.db2.gz TUDSAQDJQBMPNE-AWEZNQCLSA-N 0 1 413.403 4.052 20 30 HIEDMN C[C@@H](NCc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000540706551 939344592 /nfs/dbraw/zinc/34/45/92/939344592.db2.gz BSDSUICFGIFMJZ-CQSZACIVSA-N 0 1 418.310 4.147 20 30 HIEDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084846 939454163 /nfs/dbraw/zinc/45/41/63/939454163.db2.gz BOPBPYIRNYTPPY-OAHLLOKOSA-N 0 1 400.438 4.083 20 30 HIEDMN CCOc1ccc(N(CCC#N)C(=O)CN2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC000541320579 939490775 /nfs/dbraw/zinc/49/07/75/939490775.db2.gz ZNBIYADCRPJBIC-CYFREDJKSA-N 0 1 421.541 4.424 20 30 HIEDMN COc1ccc(-c2nc(C)c([C@H](C)N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s2)cc1 ZINC000541640176 939582264 /nfs/dbraw/zinc/58/22/64/939582264.db2.gz NFZCCLDEUDAHQQ-GZWGPKMKSA-N 0 1 414.575 4.221 20 30 HIEDMN C=CCOc1c(Br)cc(CN2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000542708664 939855678 /nfs/dbraw/zinc/85/56/78/939855678.db2.gz KUXHSDRWAVTISQ-OAHLLOKOSA-N 0 1 410.352 4.414 20 30 HIEDMN Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NCC(=O)N[C@](C)(C#N)C(C)C ZINC000543516571 940092959 /nfs/dbraw/zinc/09/29/59/940092959.db2.gz XDKMVJWPKCZCTK-ZUOKHONESA-N 0 1 404.967 4.477 20 30 HIEDMN COCc1ccc(CNC(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000543870500 940217923 /nfs/dbraw/zinc/21/79/23/940217923.db2.gz BBDWHTIWFCEHPM-IBGZPJMESA-N 0 1 413.521 4.339 20 30 HIEDMN COCc1ccc(CNC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000543870501 940218295 /nfs/dbraw/zinc/21/82/95/940218295.db2.gz BBDWHTIWFCEHPM-LJQANCHMSA-N 0 1 413.521 4.339 20 30 HIEDMN Cc1csc2nc(CN[C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)n12 ZINC000543875047 940220821 /nfs/dbraw/zinc/22/08/21/940220821.db2.gz FWWGZDMNPWVSBA-INIZCTEOSA-N 0 1 400.507 4.454 20 30 HIEDMN COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000544130849 940334009 /nfs/dbraw/zinc/33/40/09/940334009.db2.gz VYQWYXHASRRYIU-CAOCKLPOSA-N 0 1 405.542 4.280 20 30 HIEDMN Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NCC(=O)NCc1cccc(C#N)c1 ZINC000544481858 940450717 /nfs/dbraw/zinc/45/07/17/940450717.db2.gz ATHSCEJADMCMHS-AWEZNQCLSA-N 0 1 408.502 4.096 20 30 HIEDMN CC1CCN(c2ccc(C(=O)C(C#N)c3nc(-c4ccncc4)cs3)cn2)CC1 ZINC000544816891 940516972 /nfs/dbraw/zinc/51/69/72/940516972.db2.gz AZJZORXEAHFKMX-SFHVURJKSA-N 0 1 403.511 4.326 20 30 HIEDMN COc1cc(C#N)ccc1NC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000546003334 940673479 /nfs/dbraw/zinc/67/34/79/940673479.db2.gz PDOOFKCKGQXLJH-UHFFFAOYSA-N 0 1 412.921 4.254 20 30 HIEDMN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CNC(C)(C)c2ccc(C)nc2)c1C#N ZINC000546102878 940699997 /nfs/dbraw/zinc/69/99/97/940699997.db2.gz RFMHTEAAHWDIOX-UHFFFAOYSA-N 0 1 419.504 4.272 20 30 HIEDMN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000546789529 940883282 /nfs/dbraw/zinc/88/32/82/940883282.db2.gz MDEWYCNSRJXMKW-KRWDZBQOSA-N 0 1 411.933 4.011 20 30 HIEDMN COc1ccc(-c2nc(NC(=O)CN[C@@H](C)c3ccc(C#N)cc3)sc2C)cc1 ZINC000548936355 941130981 /nfs/dbraw/zinc/13/09/81/941130981.db2.gz QEPWINSAPAKEPK-AWEZNQCLSA-N 0 1 406.511 4.288 20 30 HIEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)N(C)[C@@H](C)C3)sc2C1 ZINC000550358655 941318189 /nfs/dbraw/zinc/31/81/89/941318189.db2.gz DTYRHIXANPUAKO-IXDOHACOSA-N 0 1 416.635 4.124 20 30 HIEDMN COCC[C@@H](NCC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000551424066 941476339 /nfs/dbraw/zinc/47/63/39/941476339.db2.gz VLJUPALVJYOIGQ-QGZVFWFLSA-N 0 1 410.301 4.381 20 30 HIEDMN C[C@@H]1CN(Cc2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)C[C@@H](C)O1 ZINC000552290072 941623289 /nfs/dbraw/zinc/62/32/89/941623289.db2.gz XENVQUFRTCFKSE-WOJBJXKFSA-N 0 1 404.558 4.248 20 30 HIEDMN Cc1[nH]ncc1C1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000552766090 941756512 /nfs/dbraw/zinc/75/65/12/941756512.db2.gz VTVCWWQGLNOGAT-UHFFFAOYSA-N 0 1 416.529 4.132 20 30 HIEDMN CC[C@H]1Oc2cc([C@@H](C)NCc3ccc(C#N)cc3OC(F)F)ccc2NC1=O ZINC000553010241 941815086 /nfs/dbraw/zinc/81/50/86/941815086.db2.gz AADIYTUTHMVRLF-SJKOYZFVSA-N 0 1 401.413 4.120 20 30 HIEDMN CCOc1ccc([C@@H](C)NCC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC 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KNRAIAWJZWUJAK-KRWDZBQOSA-N 0 1 401.514 4.490 20 30 HIEDMN N#Cc1cccc(C2(NCC(=O)Nc3ccc(Br)cc3Cl)CC2)c1 ZINC000556507931 942888299 /nfs/dbraw/zinc/88/82/99/942888299.db2.gz HFPQNWAUAIMGKO-UHFFFAOYSA-N 0 1 404.695 4.192 20 30 HIEDMN N#CC(C(=O)c1cnnn1Cc1ccccc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000560545143 944248466 /nfs/dbraw/zinc/24/84/66/944248466.db2.gz UPQISXYFYCKNDY-CQSZACIVSA-N 0 1 421.432 4.218 20 30 HIEDMN N#Cc1ccc(OC2CCN(C(=O)c3cc(-c4ccccc4Cl)[nH]n3)CC2)c(F)c1 ZINC000560767440 944324542 /nfs/dbraw/zinc/32/45/42/944324542.db2.gz DFLPMVQCUKRUQX-UHFFFAOYSA-N 0 1 424.863 4.424 20 30 HIEDMN CCC[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000565798216 945885530 /nfs/dbraw/zinc/88/55/30/945885530.db2.gz RJOUWHAEWDKNEK-QGZVFWFLSA-N 0 1 412.342 4.165 20 30 HIEDMN C=CCOc1ccc(CN2CCC(Nc3cccc(C(=O)OC)c3)CC2)cc1OC ZINC000567026904 946220516 /nfs/dbraw/zinc/22/05/16/946220516.db2.gz YSZDDBSABAERKC-UHFFFAOYSA-N 0 1 410.514 4.123 20 30 HIEDMN CCOc1c(Br)cc(CNCc2ccc(C#N)c(OC)c2)cc1OC ZINC000567087683 946239390 /nfs/dbraw/zinc/23/93/90/946239390.db2.gz AWOGTCMXUCHVGU-UHFFFAOYSA-N 0 1 405.292 4.026 20 30 HIEDMN COc1ccc([C@H](CCC#N)NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000571752719 947774741 /nfs/dbraw/zinc/77/47/41/947774741.db2.gz PZOZFPQAPQXYQZ-GLDPYIMESA-N 0 1 421.541 4.079 20 30 HIEDMN C[C@@H](/N=C/c1cc(Br)cc(Br)c1O)c1nnc2ccccn21 ZINC000015149746 846013704 /nfs/dbraw/zinc/01/37/04/846013704.db2.gz INZRWSUQCYJYSP-SEYNJHBTSA-N 0 1 424.096 4.140 20 30 HIEDMN C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)cc1OC ZINC000027668815 847335639 /nfs/dbraw/zinc/33/56/39/847335639.db2.gz OVTKJWLMNIRFOW-JOCHJYFZSA-N 0 1 424.541 4.226 20 30 HIEDMN N#C[C@H](C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc2ccccc2o1 ZINC000041539684 848228961 /nfs/dbraw/zinc/22/89/61/848228961.db2.gz DGSIAGGIGQOCIT-OAHLLOKOSA-N 0 1 407.227 4.266 20 30 HIEDMN N#CC(C(=O)c1ccc(-n2cc(Br)cn2)cc1)c1nc2ccccc2o1 ZINC000041539684 848228969 /nfs/dbraw/zinc/22/89/69/848228969.db2.gz DGSIAGGIGQOCIT-OAHLLOKOSA-N 0 1 407.227 4.266 20 30 HIEDMN CC(=O)NCc1ccc(C(=O)C(C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC000041548819 848229267 /nfs/dbraw/zinc/22/92/67/848229267.db2.gz XZNKPZYGYJHYQZ-HNNXBMFYSA-N 0 1 417.412 4.441 20 30 HIEDMN CC(=O)NCc1ccc(C(=O)[C@H](C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc1 ZINC000041548819 848229279 /nfs/dbraw/zinc/22/92/79/848229279.db2.gz XZNKPZYGYJHYQZ-HNNXBMFYSA-N 0 1 417.412 4.441 20 30 HIEDMN C[C@@H]1Sc2ccc(C(O)=C(C#N)c3nc4ccccc4n3C(F)F)cc2NC1=O ZINC000041559643 848233466 /nfs/dbraw/zinc/23/34/66/848233466.db2.gz CZZKPXXZOMQEEV-CMPLNLGQSA-N 0 1 412.421 4.354 20 30 HIEDMN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)cc12 ZINC000041574805 848234636 /nfs/dbraw/zinc/23/46/36/848234636.db2.gz GUGMYTHZOXSSAI-GOSISDBHSA-N 0 1 419.485 4.491 20 30 HIEDMN CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000047608981 849084809 /nfs/dbraw/zinc/08/48/09/849084809.db2.gz RWJRWVVEOCEHDG-KBPBESRZSA-N 0 1 401.894 4.297 20 30 HIEDMN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047798010 849115557 /nfs/dbraw/zinc/11/55/57/849115557.db2.gz AHGHMVLUBACRKM-HXUWFJFHSA-N 0 1 415.480 4.028 20 30 HIEDMN N#C[C@@H](C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1ccc(C(F)(F)F)cn1 ZINC000048829536 849273088 /nfs/dbraw/zinc/27/30/88/849273088.db2.gz TWCYMDKFMLLMJR-CQSZACIVSA-N 0 1 414.362 4.404 20 30 HIEDMN N#CC(C(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1ccc(C(F)(F)F)cn1 ZINC000048829536 849273096 /nfs/dbraw/zinc/27/30/96/849273096.db2.gz TWCYMDKFMLLMJR-CQSZACIVSA-N 0 1 414.362 4.404 20 30 HIEDMN CC[C@H](C)Oc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056759053 850469187 /nfs/dbraw/zinc/46/91/87/850469187.db2.gz NIBLKRVRDUVFKR-IBGZPJMESA-N 0 1 406.530 4.475 20 30 HIEDMN COc1ccc(CCCCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000057042216 850537005 /nfs/dbraw/zinc/53/70/05/850537005.db2.gz AEAQXEIFTRPHDK-UHFFFAOYSA-N 0 1 405.542 4.014 20 30 HIEDMN N#Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)ccc1OCC(F)(F)F ZINC000058560402 850856425 /nfs/dbraw/zinc/85/64/25/850856425.db2.gz USNUMNIRGUMSNX-INIZCTEOSA-N 0 1 422.407 4.051 20 30 HIEDMN CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477534 851112548 /nfs/dbraw/zinc/11/25/48/851112548.db2.gz AUYCSISQESUVGU-XMSQKQJNSA-N 0 1 419.525 4.076 20 30 HIEDMN COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC[C@H]1CC1CCCCC1 ZINC000060892813 851241820 /nfs/dbraw/zinc/24/18/20/851241820.db2.gz WKXHLDNZQWLQIF-NRFANRHFSA-N 0 1 414.594 4.386 20 30 HIEDMN C=CCc1ccccc1OC[C@H](O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000061730977 851431557 /nfs/dbraw/zinc/43/15/57/851431557.db2.gz BYRDUVUWGLLZFP-KRWDZBQOSA-N 0 1 401.919 4.386 20 30 HIEDMN C=CCN(CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063288179 851652337 /nfs/dbraw/zinc/65/23/37/851652337.db2.gz XMFLCBNUAIEFRK-UHFFFAOYSA-N 0 1 403.866 4.274 20 30 HIEDMN COc1ccc(-c2csc([C@@H](C#N)C(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000072032266 852474848 /nfs/dbraw/zinc/47/48/48/852474848.db2.gz AJJFSQGHQSNHMY-HNNXBMFYSA-N 0 1 409.423 4.226 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1 ZINC000072032266 852474851 /nfs/dbraw/zinc/47/48/51/852474851.db2.gz AJJFSQGHQSNHMY-HNNXBMFYSA-N 0 1 409.423 4.226 20 30 HIEDMN CC(C)N(CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111046268 853193312 /nfs/dbraw/zinc/19/33/12/853193312.db2.gz IRBXLSXIYOKKCX-QFIPXVFZSA-N 0 1 404.539 4.131 20 30 HIEDMN N#CC(C(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1)c1nc2ccccc2[nH]1 ZINC000195556472 853681237 /nfs/dbraw/zinc/68/12/37/853681237.db2.gz LWDCOERHRWHIFU-NQIIRXRSSA-N 0 1 422.488 4.445 20 30 HIEDMN C#CCN1CCC(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)CC1 ZINC000195730657 853782689 /nfs/dbraw/zinc/78/26/89/853782689.db2.gz QBKHSMWYWPHAHG-UHFFFAOYSA-N 0 1 418.360 4.165 20 30 HIEDMN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229933860 853893501 /nfs/dbraw/zinc/89/35/01/853893501.db2.gz WCKTXRRTVKZUBB-RTBURBONSA-N 0 1 402.498 4.343 20 30 HIEDMN Cc1ccc(OCc2nc(CNC3CCN(c4ccc(C#N)cn4)CC3)cs2)cc1 ZINC000237945300 854123630 /nfs/dbraw/zinc/12/36/30/854123630.db2.gz LRDCWZAOCGUWEM-UHFFFAOYSA-N 0 1 419.554 4.056 20 30 HIEDMN N#Cc1cc(NC2CCN(Cc3ccc(F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301379594 854376504 /nfs/dbraw/zinc/37/65/04/854376504.db2.gz TVWKFFRXEHAUNS-UHFFFAOYSA-N 0 1 405.433 4.230 20 30 HIEDMN C[N@H+]1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693238 854446175 /nfs/dbraw/zinc/44/61/75/854446175.db2.gz ZNQSMSZOMDKFSL-NVXWUHKLSA-N 0 1 419.407 4.375 20 30 HIEDMN COc1ccccc1C[C@@H]1CCCN1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000302950063 854692754 /nfs/dbraw/zinc/69/27/54/854692754.db2.gz DBGHIRPDUQCPDP-QFIPXVFZSA-N 0 1 405.542 4.266 20 30 HIEDMN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)[C@@H]2CCc3ccccc3C2)c1C#N ZINC000303508549 854997358 /nfs/dbraw/zinc/99/73/58/854997358.db2.gz AXMSSRQGTRILKM-OAQYLSRUSA-N 0 1 416.525 4.046 20 30 HIEDMN N#CCCN(C(=O)CN1CCC(c2c[nH]c3cc(F)ccc32)CC1)c1ccccc1 ZINC000303524373 855012026 /nfs/dbraw/zinc/01/20/26/855012026.db2.gz ZSRFJZGDZRCJLY-UHFFFAOYSA-N 0 1 404.489 4.433 20 30 HIEDMN CN(C)Cc1cc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1F ZINC000303706926 855143969 /nfs/dbraw/zinc/14/39/69/855143969.db2.gz PFWMPVOVHMLXBF-UHFFFAOYSA-N 0 1 417.484 4.268 20 30 HIEDMN N#CC(C(=O)c1ncccc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000437393831 862727851 /nfs/dbraw/zinc/72/78/51/862727851.db2.gz YWHVGAGFSWGFLU-JTQLQIEISA-N 0 1 410.302 4.258 20 30 HIEDMN N#C[C@@H](C(=O)c1ncccc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000437393831 862727867 /nfs/dbraw/zinc/72/78/67/862727867.db2.gz YWHVGAGFSWGFLU-JTQLQIEISA-N 0 1 410.302 4.258 20 30 HIEDMN N#CC1(CCCN2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000410417401 855987220 /nfs/dbraw/zinc/98/72/20/855987220.db2.gz HMSFLJCJEWGECU-GOSISDBHSA-N 0 1 410.345 4.497 20 30 HIEDMN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(C)C[C@H]3CCOC3)sc2C1 ZINC000426435684 856289045 /nfs/dbraw/zinc/28/90/45/856289045.db2.gz DNHRXPHHMANLGX-CVEARBPZSA-N 0 1 403.592 4.068 20 30 HIEDMN N#CC(CCN1CCC2(CC1)CCS(=O)(=O)CC2)(c1ccccc1)c1ccccc1 ZINC000428691436 857298345 /nfs/dbraw/zinc/29/83/45/857298345.db2.gz HWSLYUMVZBZMJY-UHFFFAOYSA-N 0 1 422.594 4.177 20 30 HIEDMN COc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)N2CCCCC2)cc1 ZINC000429971207 857974912 /nfs/dbraw/zinc/97/49/12/857974912.db2.gz ZMLNWLAPWCLKLD-QFIPXVFZSA-N 0 1 409.555 4.268 20 30 HIEDMN Cn1cc(CN(CCC(=O)Nc2sccc2C#N)Cc2ccc(Cl)cc2)cn1 ZINC000430270867 858104088 /nfs/dbraw/zinc/10/40/88/858104088.db2.gz WJPWWZRNBIBINX-UHFFFAOYSA-N 0 1 413.934 4.038 20 30 HIEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)s1 ZINC000430583577 858227007 /nfs/dbraw/zinc/22/70/07/858227007.db2.gz NCKHOLSDLFAICO-MRXNPFEDSA-N 0 1 415.540 4.008 20 30 HIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)s1 ZINC000430583577 858227022 /nfs/dbraw/zinc/22/70/22/858227022.db2.gz NCKHOLSDLFAICO-MRXNPFEDSA-N 0 1 415.540 4.008 20 30 HIEDMN C[C@@H]1C[C@@]2(CCO1)CN(Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@H](C)O2 ZINC000430779836 858301826 /nfs/dbraw/zinc/30/18/26/858301826.db2.gz GPWMSCZJHZYRHM-RNHFSVANSA-N 0 1 406.526 4.296 20 30 HIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccc(Br)cc1 ZINC000432212852 859049747 /nfs/dbraw/zinc/04/97/47/859049747.db2.gz AVGSALLDNHEPEL-HNNXBMFYSA-N 0 1 420.270 4.310 20 30 HIEDMN N#Cc1cccc(-c2nnc(CN3CC[C@@H](Cc4ccc(Br)cc4)C3)o2)c1 ZINC000433304899 859627848 /nfs/dbraw/zinc/62/78/48/859627848.db2.gz OJKACNHARUUFBM-KRWDZBQOSA-N 0 1 423.314 4.435 20 30 HIEDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(COc4ccccc4C#N)c3)c2C)o1 ZINC000434436654 860351341 /nfs/dbraw/zinc/35/13/41/860351341.db2.gz JMYVEQIIFRDEQM-UHFFFAOYSA-N 0 1 412.449 4.990 20 30 HIEDMN Cn1cc(Br)cc1C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000434622186 860435332 /nfs/dbraw/zinc/43/53/32/860435332.db2.gz BLBKQLZRSANIEI-CQSZACIVSA-N 0 1 411.284 4.273 20 30 HIEDMN COc1cc([C@@H](C)N[C@@H]2CCN(c3sccc3C#N)C2=O)ccc1OCC(C)C ZINC000434881802 860532664 /nfs/dbraw/zinc/53/26/64/860532664.db2.gz YAYSZSBHFCLJKS-CRAIPNDOSA-N 0 1 413.543 4.119 20 30 HIEDMN Cc1ccc(OC2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 ZINC000435129562 860654512 /nfs/dbraw/zinc/65/45/12/860654512.db2.gz KOJRCRTUQRSGRN-UHFFFAOYSA-N 0 1 401.514 4.211 20 30 HIEDMN C=C[C@H](CC(=O)N[C@@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000438417920 863856778 /nfs/dbraw/zinc/85/67/78/863856778.db2.gz IHFVELIEACSBQH-AUUYWEPGSA-N 0 1 400.404 4.389 20 30 HIEDMN Cc1noc2ncc(S(=O)(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)cc12 ZINC000438713195 864192818 /nfs/dbraw/zinc/19/28/18/864192818.db2.gz GBDRBUINBGASRX-UHFFFAOYSA-N 0 1 424.413 4.135 20 30 HIEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000438723404 864204236 /nfs/dbraw/zinc/20/42/36/864204236.db2.gz MZWMJMSXUCJWLR-UHFFFAOYSA-N 0 1 423.185 4.279 20 30 HIEDMN N#Cc1ccccc1Oc1ccc(NS(=O)(=O)c2c[nH]c3ncccc32)cc1F ZINC000438735541 864220480 /nfs/dbraw/zinc/22/04/80/864220480.db2.gz ZSZIYDSHGPCOLO-UHFFFAOYSA-N 0 1 408.414 4.167 20 30 HIEDMN CCCc1c(NS(=O)(=O)c2ccc(Cl)cc2F)cnn1-c1cccc(C#N)c1 ZINC000438838259 864330996 /nfs/dbraw/zinc/33/09/96/864330996.db2.gz SIKDTXRPFLDRLT-UHFFFAOYSA-N 0 1 418.881 4.290 20 30 HIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000439190768 864617801 /nfs/dbraw/zinc/61/78/01/864617801.db2.gz LLNGBSTXHNWNBK-LJQANCHMSA-N 0 1 405.546 4.100 20 30 HIEDMN CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439190766 864617869 /nfs/dbraw/zinc/61/78/69/864617869.db2.gz LLNGBSTXHNWNBK-IBGZPJMESA-N 0 1 405.546 4.100 20 30 HIEDMN C=CCOc1cc(OC)ccc1C(=O)N1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000467930504 881804490 /nfs/dbraw/zinc/80/44/90/881804490.db2.gz QOYZQYYTZKRJDE-KRWDZBQOSA-N 0 1 405.498 4.465 20 30 HIEDMN Cc1cc(S(=O)(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)c(F)cc1F ZINC000440307583 865569923 /nfs/dbraw/zinc/56/99/23/865569923.db2.gz UUKOKIFACKQNCZ-UHFFFAOYSA-N 0 1 415.421 4.441 20 30 HIEDMN COc1ccc(NC(=O)C2(NCC#Cc3cccc(Cl)c3)CCCC2)cc1OC ZINC000440922561 866018469 /nfs/dbraw/zinc/01/84/69/866018469.db2.gz YPBAKBQSAMGFGA-UHFFFAOYSA-N 0 1 412.917 4.250 20 30 HIEDMN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000442348345 867339886 /nfs/dbraw/zinc/33/98/86/867339886.db2.gz JEKKQNRIZJVCAZ-UHFFFAOYSA-N 0 1 422.462 4.328 20 30 HIEDMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cccc(N4CCNC4=O)c3C)n2)cc1 ZINC000442668459 867605061 /nfs/dbraw/zinc/60/50/61/867605061.db2.gz APPFMGGPNSSCOC-SFHVURJKSA-N 0 1 416.506 4.447 20 30 HIEDMN N#Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1O ZINC000442976615 867773079 /nfs/dbraw/zinc/77/30/79/867773079.db2.gz MPDWLCKVVQHOJF-JOCHJYFZSA-N 0 1 411.461 4.493 20 30 HIEDMN Cc1cc2c(o1)c(C(=O)C(C#N)c1nnc3n1CCCCC3)ccc2Br ZINC000443520250 868080578 /nfs/dbraw/zinc/08/05/78/868080578.db2.gz KBVNTQDQSKHJRI-AWEZNQCLSA-N 0 1 413.275 4.312 20 30 HIEDMN Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN[C@@H](C)c2cccc(O)c2)c1C#N ZINC000444750110 868986065 /nfs/dbraw/zinc/98/60/65/868986065.db2.gz XVPBACZVQCPMBZ-INIZCTEOSA-N 0 1 420.488 4.159 20 30 HIEDMN Cc1cccc2nc(C3CCN([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)CC3)oc21 ZINC000444786276 869004513 /nfs/dbraw/zinc/00/45/13/869004513.db2.gz SXQACDQKTZKHQL-QFIPXVFZSA-N 0 1 414.509 4.383 20 30 HIEDMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000445095163 869212838 /nfs/dbraw/zinc/21/28/38/869212838.db2.gz UGKZZXCFLSVDNX-UHFFFAOYSA-N 0 1 409.534 4.110 20 30 HIEDMN CC(C)(c1nnc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)s1)c1ccccc1 ZINC000447461866 871353659 /nfs/dbraw/zinc/35/36/59/871353659.db2.gz PBXNXJDKUDRLSF-UHFFFAOYSA-N 0 1 415.478 4.643 20 30 HIEDMN C=C(C)Cn1c(SCc2nc(-c3ccn4cncc4c3)no2)nnc1-c1ccco1 ZINC000447957591 871824337 /nfs/dbraw/zinc/82/43/37/871824337.db2.gz ZXFWWMHSTXLBIH-UHFFFAOYSA-N 0 1 419.470 4.104 20 30 HIEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468639416 882772299 /nfs/dbraw/zinc/77/22/99/882772299.db2.gz SLUJKSOEXYDWLH-AOYPEHQESA-N 0 1 417.553 4.386 20 30 HIEDMN C[C@H](C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000462039877 875152978 /nfs/dbraw/zinc/15/29/78/875152978.db2.gz PGWGETRMXSYUGL-SFHVURJKSA-N 0 1 404.514 4.115 20 30 HIEDMN COc1cc(CNC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)ccc1C#N ZINC000462480594 875588233 /nfs/dbraw/zinc/58/82/33/875588233.db2.gz RGBFCCLVRJCLQK-GOSISDBHSA-N 0 1 409.877 4.143 20 30 HIEDMN C=CCOc1ccc(CNCc2cc(Br)cc3c2OCC3)cc1OC ZINC000462522354 875640903 /nfs/dbraw/zinc/64/09/03/875640903.db2.gz FEVHFMOQIKQPHQ-UHFFFAOYSA-N 0 1 404.304 4.247 20 30 HIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463201301 876260070 /nfs/dbraw/zinc/26/00/70/876260070.db2.gz DMVJLHNUQFDQIP-JYRKZWEQSA-N 0 1 415.603 4.282 20 30 HIEDMN OC[C@]1(Cc2ccccc2)CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000463456499 876517494 /nfs/dbraw/zinc/51/74/94/876517494.db2.gz RXXIYRSCELAHOE-QFIPXVFZSA-N 0 1 403.444 4.254 20 30 HIEDMN C=CCOc1cc(OC)ccc1C(=O)Nc1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000464161797 877329455 /nfs/dbraw/zinc/32/94/55/877329455.db2.gz WEVVIWLFALARNK-UHFFFAOYSA-N 0 1 400.438 4.451 20 30 HIEDMN CCC[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CCN1Cc1ccccc1 ZINC000466621886 880393509 /nfs/dbraw/zinc/39/35/09/880393509.db2.gz VUEHPLOQCYGXOH-OAQYLSRUSA-N 0 1 421.545 4.283 20 30 HIEDMN C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000466984078 880793829 /nfs/dbraw/zinc/79/38/29/880793829.db2.gz LPZGGUKZQKQBDG-KRWDZBQOSA-N 0 1 415.459 4.415 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)c(Cl)c1 ZINC000503828262 912833917 /nfs/dbraw/zinc/83/39/17/912833917.db2.gz JONPIAAZMKPJFG-MRXNPFEDSA-N 0 1 421.309 4.267 20 30 HIEDMN N#Cc1ccc(N2CCC[C@@H](NCc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000503927223 912868547 /nfs/dbraw/zinc/86/85/47/912868547.db2.gz HTFAKHJDZOYPNZ-OAQYLSRUSA-N 0 1 416.437 4.012 20 30 HIEDMN N#Cc1ccc(CN(Cc2cccc(F)c2)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000503983127 912895888 /nfs/dbraw/zinc/89/58/88/912895888.db2.gz ZRDYFJLPPZPYEO-DEOSSOPVSA-N 0 1 415.468 4.011 20 30 HIEDMN C=CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)n[nH]c1=O ZINC000470841631 885335737 /nfs/dbraw/zinc/33/57/37/885335737.db2.gz UOVRTPQJMVYVDU-UHFFFAOYSA-N 0 1 407.499 4.028 20 30 HIEDMN CC[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000472239956 887047110 /nfs/dbraw/zinc/04/71/10/887047110.db2.gz JGGHBRPBRSAPQY-CVDCTZTESA-N 0 1 413.525 4.198 20 30 HIEDMN C=CCCC1(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000474209981 889048891 /nfs/dbraw/zinc/04/88/91/889048891.db2.gz KJVPCCAEIWUYSL-UHFFFAOYSA-N 0 1 418.490 4.320 20 30 HIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 ZINC000474440284 889305859 /nfs/dbraw/zinc/30/58/59/889305859.db2.gz XVOCJDJXKHDJQH-QGZVFWFLSA-N 0 1 419.462 4.146 20 30 HIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)n1 ZINC000474440284 889305875 /nfs/dbraw/zinc/30/58/75/889305875.db2.gz XVOCJDJXKHDJQH-QGZVFWFLSA-N 0 1 419.462 4.146 20 30 HIEDMN CC(C)c1csc([C@H](C#N)C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)n1 ZINC000474451500 889318088 /nfs/dbraw/zinc/31/80/88/889318088.db2.gz YLOVCSXRAYKAGO-QGZVFWFLSA-N 0 1 402.541 4.473 20 30 HIEDMN CC(C)c1csc(C(C#N)C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)n1 ZINC000474451500 889318096 /nfs/dbraw/zinc/31/80/96/889318096.db2.gz YLOVCSXRAYKAGO-QGZVFWFLSA-N 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COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1 ZINC000025507724 846988806 /nfs/dbraw/zinc/98/88/06/846988806.db2.gz RHXWBPLGWLSYJR-HXUWFJFHSA-N 0 1 405.542 4.285 20 30 HIEDMN N#Cc1ccc(CN2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000028960661 847484232 /nfs/dbraw/zinc/48/42/32/847484232.db2.gz TWMKHVWNIPISEA-UHFFFAOYSA-N 0 1 417.340 4.011 20 30 HIEDMN N#Cc1ccc(CN2CCCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028960698 847484642 /nfs/dbraw/zinc/48/46/42/847484642.db2.gz BXBJBYPBERCWGP-UHFFFAOYSA-N 0 1 417.340 4.011 20 30 HIEDMN COc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000030509670 847725009 /nfs/dbraw/zinc/72/50/09/847725009.db2.gz PDIJXVDNYFZBKU-CHWSQXEVSA-N 0 1 402.292 4.007 20 30 HIEDMN CC[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)N1CCc2ccccc2C1 ZINC000032447113 848028910 /nfs/dbraw/zinc/02/89/10/848028910.db2.gz DMHRWHPRLZKZFA-IBGZPJMESA-N 0 1 420.582 4.119 20 30 HIEDMN CN(C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(F)c1 ZINC000032483709 848038003 /nfs/dbraw/zinc/03/80/03/848038003.db2.gz KSNWPVVWWWNNOO-DEOSSOPVSA-N 0 1 417.484 4.309 20 30 HIEDMN COc1cc(C(=O)[C@H](C#N)c2nc3ccccc3o2)ccc1OCc1cscn1 ZINC000041540147 848228188 /nfs/dbraw/zinc/22/81/88/848228188.db2.gz RTSXYHDNIIOJNP-HNNXBMFYSA-N 0 1 405.435 4.362 20 30 HIEDMN COc1cc(C(=O)C(C#N)c2nc3ccccc3o2)ccc1OCc1cscn1 ZINC000041540147 848228200 /nfs/dbraw/zinc/22/82/00/848228200.db2.gz RTSXYHDNIIOJNP-HNNXBMFYSA-N 0 1 405.435 4.362 20 30 HIEDMN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000047371936 849034035 /nfs/dbraw/zinc/03/40/35/849034035.db2.gz GFBRXXBUTXLHAN-INIZCTEOSA-N 0 1 409.449 4.416 20 30 HIEDMN CN(C)c1c(Cl)cccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000048739688 849261479 /nfs/dbraw/zinc/26/14/79/849261479.db2.gz PETHBCDPAQHDQD-UHFFFAOYSA-N 0 1 411.937 4.017 20 30 HIEDMN Cc1c(C(=O)[C@@H](C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1F ZINC000048829115 849273040 /nfs/dbraw/zinc/27/30/40/849273040.db2.gz RRHSMNUUEOFJRM-ZDUSSCGKSA-N 0 1 406.314 4.363 20 30 HIEDMN Cc1c(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cnn1-c1ccc(F)cc1F ZINC000048829115 849273048 /nfs/dbraw/zinc/27/30/48/849273048.db2.gz RRHSMNUUEOFJRM-ZDUSSCGKSA-N 0 1 406.314 4.363 20 30 HIEDMN CN(CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132771 849434207 /nfs/dbraw/zinc/43/42/07/849434207.db2.gz DAMQTQICBXZNNR-WMZHIEFXSA-N 0 1 409.555 4.340 20 30 HIEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)Sc2nc(-c3ccccc3O)n[nH]2)c1 ZINC000436850465 862027362 /nfs/dbraw/zinc/02/73/62/862027362.db2.gz HNWAUCNKHQIWHU-INIZCTEOSA-N 0 1 421.526 4.222 20 30 HIEDMN Cc1ccc(C)c(-n2ccnc2SCC(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000053526245 849726107 /nfs/dbraw/zinc/72/61/07/849726107.db2.gz OFFAAQSTCMYOTG-UHFFFAOYSA-N 0 1 405.487 4.050 20 30 HIEDMN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000053524365 849726610 /nfs/dbraw/zinc/72/66/10/849726610.db2.gz NLKJRBWSOOUKFT-UHFFFAOYSA-N 0 1 405.439 4.003 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000053962666 849783035 /nfs/dbraw/zinc/78/30/35/849783035.db2.gz XUXINLJXKDBMEG-OAQYLSRUSA-N 0 1 406.555 4.013 20 30 HIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 ZINC000054538569 849886237 /nfs/dbraw/zinc/88/62/37/849886237.db2.gz UEXCBPGEWGQGGY-UHFFFAOYSA-N 0 1 410.493 4.271 20 30 HIEDMN COc1ccc(-c2nc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000054642909 849898300 /nfs/dbraw/zinc/89/83/00/849898300.db2.gz QORFVSQBPZISBL-UHFFFAOYSA-N 0 1 418.566 4.398 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(C(F)(F)F)c1 ZINC000055586203 850064801 /nfs/dbraw/zinc/06/48/01/850064801.db2.gz QPTDXSRDAPAPOS-UHFFFAOYSA-N 0 1 407.373 4.396 20 30 HIEDMN N#Cc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1OCC(F)(F)F ZINC000055595619 850071599 /nfs/dbraw/zinc/07/15/99/850071599.db2.gz DXTMQHWLDSNLAL-UHFFFAOYSA-N 0 1 408.760 4.093 20 30 HIEDMN Cc1ccc(Br)cc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055630140 850083525 /nfs/dbraw/zinc/08/35/25/850083525.db2.gz WPRHOAAJFMRSSX-UHFFFAOYSA-N 0 1 419.222 4.449 20 30 HIEDMN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1Cl ZINC000055648345 850093224 /nfs/dbraw/zinc/09/32/24/850093224.db2.gz URZXWHXDCSTSEX-CQSZACIVSA-N 0 1 417.918 4.027 20 30 HIEDMN C[C@@H](N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056153337 850258368 /nfs/dbraw/zinc/25/83/68/850258368.db2.gz NQXOSUWNRBWRLN-QZTJIDSGSA-N 0 1 412.493 4.488 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000056900969 850513564 /nfs/dbraw/zinc/51/35/64/850513564.db2.gz BDRRWNJZCVQFOC-QFIPXVFZSA-N 0 1 408.933 4.116 20 30 HIEDMN CC(C)(CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000060575994 851153087 /nfs/dbraw/zinc/15/30/87/851153087.db2.gz DRZXESKEHQNBHU-UHFFFAOYSA-N 0 1 424.976 4.407 20 30 HIEDMN C=CCc1cc(C(=O)Nc2cccc(CN3CCSCC3)c2)cc(OC)c1OC ZINC000061286164 851338167 /nfs/dbraw/zinc/33/81/67/851338167.db2.gz ZMBHUPXTVBAXMH-UHFFFAOYSA-N 0 1 412.555 4.233 20 30 HIEDMN C=CCOc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1OC ZINC000062256742 851518938 /nfs/dbraw/zinc/51/89/38/851518938.db2.gz ZEQXWOGEPYEZSN-UHFFFAOYSA-N 0 1 420.303 4.084 20 30 HIEDMN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000064102137 851827916 /nfs/dbraw/zinc/82/79/16/851827916.db2.gz NRPJYLJTDVUNTM-GFCCVEGCSA-N 0 1 419.432 4.432 20 30 HIEDMN O=C(CCSc1ccccc1Br)Nc1nc(-c2ccccn2)n[nH]1 ZINC000064372290 851880752 /nfs/dbraw/zinc/88/07/52/851880752.db2.gz FHNDXWFTBXVENK-UHFFFAOYSA-N 0 1 404.293 4.400 20 30 HIEDMN CC(C)N(CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2ccccc2F)s1 ZINC000064988124 852035307 /nfs/dbraw/zinc/03/53/07/852035307.db2.gz XIEVMRMYEFTNMA-UHFFFAOYSA-N 0 1 412.534 4.421 20 30 HIEDMN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000065615303 852199517 /nfs/dbraw/zinc/19/95/17/852199517.db2.gz CRJLVXLAZYMLHL-NRFANRHFSA-N 0 1 422.529 4.052 20 30 HIEDMN Cc1sc2ncnc(SCCC(=O)Nc3nc(-c4ccccn4)n[nH]3)c2c1C ZINC000065880145 852299237 /nfs/dbraw/zinc/29/92/37/852299237.db2.gz WLNQSGYYXPIAPD-UHFFFAOYSA-N 0 1 411.516 4.259 20 30 HIEDMN COc1ccccc1[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(C)C)N1CCCC1 ZINC000072019931 852468991 /nfs/dbraw/zinc/46/89/91/852468991.db2.gz YJFUHAUHDWTDBI-NRFANRHFSA-N 0 1 422.529 4.313 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000072032264 852474136 /nfs/dbraw/zinc/47/41/36/852474136.db2.gz MLDSLMOQVYOLNW-FBFPYJBRSA-N 0 1 404.447 4.437 20 30 HIEDMN CCCN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111177722 853217560 /nfs/dbraw/zinc/21/75/60/853217560.db2.gz PIAKCRAVMRPFFI-JOCHJYFZSA-N 0 1 404.539 4.133 20 30 HIEDMN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000140358838 853442923 /nfs/dbraw/zinc/44/29/23/853442923.db2.gz LSLLJALUOLRVTK-CYBMUJFWSA-N 0 1 411.870 4.433 20 30 HIEDMN COc1ccc(-c2csc(C(C#N)C(=O)C=Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000198043829 853795276 /nfs/dbraw/zinc/79/52/76/853795276.db2.gz MLDSLMOQVYOLNW-AUEWMVCUSA-N 0 1 404.447 4.437 20 30 HIEDMN CCOc1ccc(NC(=O)CNCc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237051531 853957898 /nfs/dbraw/zinc/95/78/98/853957898.db2.gz HZHXAZIHYNTXAX-UHFFFAOYSA-N 0 1 415.493 4.264 20 30 HIEDMN C[C@H]1CN(Cc2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@H](C)O1 ZINC000301252117 854339988 /nfs/dbraw/zinc/33/99/88/854339988.db2.gz CKRPVRRDYSDDOD-GJZGRUSLSA-N 0 1 404.436 4.193 20 30 HIEDMN N#Cc1ccc(CN2CCCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000302895586 854669704 /nfs/dbraw/zinc/66/97/04/854669704.db2.gz GDDBNNHPVDGNPQ-UHFFFAOYSA-N 0 1 413.974 4.428 20 30 HIEDMN N#CC(C(=O)c1ncccc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000437393842 862728303 /nfs/dbraw/zinc/72/83/03/862728303.db2.gz YWHVGAGFSWGFLU-SNVBAGLBSA-N 0 1 410.302 4.258 20 30 HIEDMN N#C[C@H](C(=O)c1ncccc1OCC(F)(F)F)c1nc2ccccc2n1C(F)F ZINC000437393842 862728341 /nfs/dbraw/zinc/72/83/41/862728341.db2.gz YWHVGAGFSWGFLU-SNVBAGLBSA-N 0 1 410.302 4.258 20 30 HIEDMN N#CC(C(=O)c1ccc(Sc2ccccc2Cl)nn1)c1nnc2n1CCCCC2 ZINC000426181664 856159791 /nfs/dbraw/zinc/15/97/91/856159791.db2.gz CQLRNHZDNVLVQP-ZDUSSCGKSA-N 0 1 424.917 4.089 20 30 HIEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)C[C@@H]3CCOC3)sc2C1 ZINC000426435709 856288996 /nfs/dbraw/zinc/28/89/96/856288996.db2.gz DNHRXPHHMANLGX-JKSUJKDBSA-N 0 1 403.592 4.068 20 30 HIEDMN N#Cc1ccccc1COc1cccc(C[NH2+][C@H](C(=O)[O-])c2c(F)cccc2F)c1 ZINC000426748687 856452718 /nfs/dbraw/zinc/45/27/18/856452718.db2.gz ZHQFTGBPEWXYGN-QFIPXVFZSA-N 0 1 408.404 4.331 20 30 HIEDMN Cc1ccc(NC(=O)[C@@H]2CCCN(CC#Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000427005490 856591437 /nfs/dbraw/zinc/59/14/37/856591437.db2.gz SWUSUNKYSAULPY-GOSISDBHSA-N 0 1 401.432 4.111 20 30 HIEDMN Cc1nc(SCC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000437475911 862836515 /nfs/dbraw/zinc/83/65/15/862836515.db2.gz MVEUZNPYBDFPTL-KRWDZBQOSA-N 0 1 422.598 4.094 20 30 HIEDMN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)cc1F ZINC000427717227 856921600 /nfs/dbraw/zinc/92/16/00/856921600.db2.gz FPRPCWKQUJHHHH-IUODEOHRSA-N 0 1 421.289 4.314 20 30 HIEDMN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428802655 857350177 /nfs/dbraw/zinc/35/01/77/857350177.db2.gz HIRPRBUTYKXTTK-NRFANRHFSA-N 0 1 421.932 4.122 20 30 HIEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@@H]1OCCc2sccc21 ZINC000429122930 857520689 /nfs/dbraw/zinc/52/06/89/857520689.db2.gz RVMGRBDHMGRMMP-PZPWOCDFSA-N 0 1 415.584 4.373 20 30 HIEDMN COc1ccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)N2CCCCC2)cc1 ZINC000429971206 857975237 /nfs/dbraw/zinc/97/52/37/857975237.db2.gz ZMLNWLAPWCLKLD-JOCHJYFZSA-N 0 1 409.555 4.268 20 30 HIEDMN N#Cc1cc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)ccc1Cl ZINC000430369271 858136804 /nfs/dbraw/zinc/13/68/04/858136804.db2.gz IPDMCFPUXOTNPU-UHFFFAOYSA-N 0 1 412.902 4.212 20 30 HIEDMN CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431703198 858751201 /nfs/dbraw/zinc/75/12/01/858751201.db2.gz FULSHPXPNBXWQR-QGZVFWFLSA-N 0 1 409.509 4.030 20 30 HIEDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000432197914 859043332 /nfs/dbraw/zinc/04/33/32/859043332.db2.gz HFPAUNGJDBIXLL-UHFFFAOYSA-N 0 1 407.373 4.396 20 30 HIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)nn1-c1ccc(Br)cc1 ZINC000432212853 859049981 /nfs/dbraw/zinc/04/99/81/859049981.db2.gz AVGSALLDNHEPEL-OAHLLOKOSA-N 0 1 420.270 4.310 20 30 HIEDMN COc1ccc(-c2cc(C(=O)N(Cc3ccc(C#N)cc3)CC(C)C)n[nH]2)cc1OC ZINC000434108138 860110188 /nfs/dbraw/zinc/11/01/88/860110188.db2.gz DBHKCWMKUIEIQJ-UHFFFAOYSA-N 0 1 418.497 4.264 20 30 HIEDMN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1C#N ZINC000435128334 860653744 /nfs/dbraw/zinc/65/37/44/860653744.db2.gz CVQDZDQTCACDBL-UHFFFAOYSA-N 0 1 402.369 4.304 20 30 HIEDMN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435145004 860664678 /nfs/dbraw/zinc/66/46/78/860664678.db2.gz BKKXWMXGKRQVIM-UHFFFAOYSA-N 0 1 408.321 4.252 20 30 HIEDMN N#Cc1ccc(S(=O)(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)s1 ZINC000435427090 860796518 /nfs/dbraw/zinc/79/65/18/860796518.db2.gz LBGSJWFKJZEBSS-GFCCVEGCSA-N 0 1 414.352 4.220 20 30 HIEDMN CC(C)(C)Oc1ccc(NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000438368446 863829735 /nfs/dbraw/zinc/82/97/35/863829735.db2.gz BCMFGTSNEMKAGJ-UHFFFAOYSA-N 0 1 406.530 4.475 20 30 HIEDMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000438466667 863888209 /nfs/dbraw/zinc/88/82/09/863888209.db2.gz NUIOAOVIRHWABI-QMHKHESXSA-N 0 1 404.466 4.031 20 30 HIEDMN CCCc1c(NC2CCN(Cc3ccncc3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439055467 864507411 /nfs/dbraw/zinc/50/74/11/864507411.db2.gz LSPUZEUNVKWKKL-UHFFFAOYSA-N 0 1 400.530 4.168 20 30 HIEDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000439194886 864621104 /nfs/dbraw/zinc/62/11/04/864621104.db2.gz ZGIVZYZESHOLTG-VEXUSMLFSA-N 0 1 417.557 4.088 20 30 HIEDMN C[C@H](c1ccncc1)N1CCC(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000439194887 864621386 /nfs/dbraw/zinc/62/13/86/864621386.db2.gz ZGIVZYZESHOLTG-YGOYIFOWSA-N 0 1 417.557 4.088 20 30 HIEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000439310751 864740394 /nfs/dbraw/zinc/74/03/94/864740394.db2.gz AFKDUBLJHGDCBX-KRWDZBQOSA-N 0 1 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HIEDMN C=C(C)COc1cc(CNCc2cc(Cl)ccc2N2CCOCC2)ccc1OC ZINC000466362537 880120636 /nfs/dbraw/zinc/12/06/36/880120636.db2.gz ODSJSGGPLWFQDK-UHFFFAOYSA-N 0 1 416.949 4.430 20 30 HIEDMN CN(C)C(=O)c1cccc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503530211 912583499 /nfs/dbraw/zinc/58/34/99/912583499.db2.gz BWXSIPPEIQHXSC-CQSZACIVSA-N 0 1 411.433 4.280 20 30 HIEDMN CN(C)C(=O)c1cccc(C(=O)C(C#N)c2nc(-c3c(F)cccc3F)cs2)c1 ZINC000503530211 912583525 /nfs/dbraw/zinc/58/35/25/912583525.db2.gz BWXSIPPEIQHXSC-CQSZACIVSA-N 0 1 411.433 4.280 20 30 HIEDMN C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)CN1Cc1ccccc1 ZINC000467029957 880829575 /nfs/dbraw/zinc/82/95/75/880829575.db2.gz XRSGUZIHHOAVSY-RXVVDRJESA-N 0 1 415.493 4.123 20 30 HIEDMN C=CCOc1cccc(NC(=O)N[C@@H](c2nnc[nH]2)c2cccc(C(F)(F)F)c2)c1 ZINC000467153037 880889601 /nfs/dbraw/zinc/88/96/01/880889601.db2.gz SOFHEWNDYCESKH-QGZVFWFLSA-N 0 1 417.391 4.299 20 30 HIEDMN N#Cc1ccc(Oc2ccc(NC(=O)N[C@H](c3nnc[nH]3)c3ccccc3)cc2)cc1 ZINC000467154789 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