smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000819742822 945277607 /nfs/dbraw/zinc/27/76/07/945277607.db2.gz AFUVDKZAVKGFHG-IBGZPJMESA-N 0 3 394.523 3.036 20 30 GGEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000819742822 945277609 /nfs/dbraw/zinc/27/76/09/945277609.db2.gz AFUVDKZAVKGFHG-IBGZPJMESA-N 0 3 394.523 3.036 20 30 GGEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000819742822 945277614 /nfs/dbraw/zinc/27/76/14/945277614.db2.gz AFUVDKZAVKGFHG-IBGZPJMESA-N 0 3 394.523 3.036 20 30 GGEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000819742822 945277620 /nfs/dbraw/zinc/27/76/20/945277620.db2.gz AFUVDKZAVKGFHG-IBGZPJMESA-N 0 3 394.523 3.036 20 30 GGEDHN C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000819743419 945280153 /nfs/dbraw/zinc/28/01/53/945280153.db2.gz JDZKWRWRRIRWFK-UHFFFAOYSA-N 0 3 399.543 3.073 20 30 GGEDHN C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000819743419 945280161 /nfs/dbraw/zinc/28/01/61/945280161.db2.gz JDZKWRWRRIRWFK-UHFFFAOYSA-N 0 3 399.543 3.073 20 30 GGEDHN C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000824545550 946784766 /nfs/dbraw/zinc/78/47/66/946784766.db2.gz DBHQLIGYLCHCKR-MRXNPFEDSA-N 0 3 387.491 3.054 20 30 GGEDHN C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000824545550 946784768 /nfs/dbraw/zinc/78/47/68/946784768.db2.gz DBHQLIGYLCHCKR-MRXNPFEDSA-N 0 3 387.491 3.054 20 30 GGEDHN C=CC[C@@H]1[N@H+]([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329686 947424940 /nfs/dbraw/zinc/42/49/40/947424940.db2.gz NMBYTUAYLVEXCY-MOPGFXCFSA-N 0 3 394.523 3.429 20 30 GGEDHN C=CC[C@@H]1[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329686 947424947 /nfs/dbraw/zinc/42/49/47/947424947.db2.gz NMBYTUAYLVEXCY-MOPGFXCFSA-N 0 3 394.523 3.429 20 30 GGEDHN C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001573330608 947437234 /nfs/dbraw/zinc/43/72/34/947437234.db2.gz ZNWSGXVTLYTLCJ-STQMWFEESA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001573330608 947437238 /nfs/dbraw/zinc/43/72/38/947437238.db2.gz ZNWSGXVTLYTLCJ-STQMWFEESA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001573330608 947437244 /nfs/dbraw/zinc/43/72/44/947437244.db2.gz ZNWSGXVTLYTLCJ-STQMWFEESA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001573330608 947437250 /nfs/dbraw/zinc/43/72/50/947437250.db2.gz ZNWSGXVTLYTLCJ-STQMWFEESA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[NH+](CC=C)[C@@H](CNc1nc(C)c(-c2nnn[n-]2)cc1Cl)C(C)C ZINC001573340878 947521008 /nfs/dbraw/zinc/52/10/08/947521008.db2.gz BZMWUTLVRXLLOU-INIZCTEOSA-N 0 3 375.908 3.334 20 30 GGEDHN C=CC[NH+](CC=C)[C@@H](CNc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(C)C ZINC001573340878 947521015 /nfs/dbraw/zinc/52/10/15/947521015.db2.gz BZMWUTLVRXLLOU-INIZCTEOSA-N 0 3 375.908 3.334 20 30 GGEDHN N#Cc1ccc(Br)c(CN[C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC001177829681 1126150662 /nfs/dbraw/zinc/15/06/62/1126150662.db2.gz OREHTWMGMVJGJD-INIZCTEOSA-N 0 3 384.277 3.495 20 30 GGEDHN COc1ccc(C[C@@](C)(CO)NCc2cc(C#N)ccc2Br)cc1 ZINC001198218927 1126154805 /nfs/dbraw/zinc/15/48/05/1126154805.db2.gz LHZCQTDGKLQUOA-IBGZPJMESA-N 0 3 389.293 3.413 20 30 GGEDHN COc1ccc(C[C@](C)(CO)NCc2ccc(C#N)cc2Br)cc1 ZINC001620624545 1126241860 /nfs/dbraw/zinc/24/18/60/1126241860.db2.gz ZJSDZKRRCXQKQV-LJQANCHMSA-N 0 3 389.293 3.413 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000025305198 519144434 /nfs/dbraw/zinc/14/44/34/519144434.db2.gz RJYKJSUGJDFTRW-QFIPXVFZSA-N 0 3 394.515 3.049 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CNC2(c3ccc(Br)cc3)CC2)cc1 ZINC000120032011 564300861 /nfs/dbraw/zinc/30/08/61/564300861.db2.gz SNKKUXHKHRWGMG-KRWDZBQOSA-N 0 3 387.277 3.339 20 30 GGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccccc1C#N ZINC000120332337 564316070 /nfs/dbraw/zinc/31/60/70/564316070.db2.gz QVDANERGZZOEHM-UHFFFAOYSA-N 0 3 377.535 3.152 20 30 GGEDHN C[C@H](NC[C@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532661 564382430 /nfs/dbraw/zinc/38/24/30/564382430.db2.gz UTGROLRBXIWTAO-GUYCJALGSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532657 564382633 /nfs/dbraw/zinc/38/26/33/564382633.db2.gz UTGROLRBXIWTAO-SUMWQHHRSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532689 564382674 /nfs/dbraw/zinc/38/26/74/564382674.db2.gz JBFIYLUFIUJBEC-SUMWQHHRSA-N 0 3 375.266 3.411 20 30 GGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000123014384 564435251 /nfs/dbraw/zinc/43/52/51/564435251.db2.gz NCJREGOGPIPELW-LLVKDONJSA-N 0 3 384.910 3.069 20 30 GGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN(CCN(C)C)CC1 ZINC000123817575 564462526 /nfs/dbraw/zinc/46/25/26/564462526.db2.gz HPQQTFWOSUVANA-UHFFFAOYSA-N 0 3 384.977 3.125 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)C(C)C ZINC000124790469 564493527 /nfs/dbraw/zinc/49/35/27/564493527.db2.gz QQCFXLHDTDKBBX-LLVKDONJSA-N 0 3 377.436 3.377 20 30 GGEDHN CN(CCOc1cccc(C#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000125586651 564519362 /nfs/dbraw/zinc/51/93/62/564519362.db2.gz FIMSJGKGDVJSQN-SFHVURJKSA-N 0 3 375.266 3.365 20 30 GGEDHN CN(CCOc1cccc(C#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000125586907 564520111 /nfs/dbraw/zinc/52/01/11/564520111.db2.gz FIMSJGKGDVJSQN-GOSISDBHSA-N 0 3 375.266 3.365 20 30 GGEDHN CN(CCOc1ccccc1C#N)[C@@H](CO)c1cccc(Br)c1 ZINC000125784032 564526573 /nfs/dbraw/zinc/52/65/73/564526573.db2.gz WSENAGHFZXGQOI-KRWDZBQOSA-N 0 3 375.266 3.365 20 30 GGEDHN N#CC(C(=O)c1cc(F)cc(Br)c1)c1nnc2n1CCCCC2 ZINC000054726968 564608404 /nfs/dbraw/zinc/60/84/04/564608404.db2.gz LKCJMJLWSTZFAZ-ZDUSSCGKSA-N 0 3 377.217 3.396 20 30 GGEDHN CCOc1ccc(C(=O)C(C(=S)[N-]CCSC)[n+]2ccccc2)cc1 ZINC000131269671 564705980 /nfs/dbraw/zinc/70/59/80/564705980.db2.gz LDYJMTFUCSXQGK-UHFFFAOYSA-O 0 3 375.539 3.264 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)cc1Cl ZINC000063311274 564716808 /nfs/dbraw/zinc/71/68/08/564716808.db2.gz IZNUQTHHOWGCBH-UHFFFAOYSA-N 0 3 381.929 3.145 20 30 GGEDHN N#CC(C(=O)c1ccc(Br)c(F)c1)c1nnc2n1CCCCC2 ZINC000064102090 564726674 /nfs/dbraw/zinc/72/66/74/564726674.db2.gz XVQFQJGUUVBCBD-LLVKDONJSA-N 0 3 377.217 3.396 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ncc(Cl)cc2Cl)CC1 ZINC000134739101 564813579 /nfs/dbraw/zinc/81/35/79/564813579.db2.gz UKHRSNFMXOAYCU-UHFFFAOYSA-N 0 3 387.311 3.107 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)C[C@@H](C)C(=O)OC)cc1OC ZINC000091986210 564873823 /nfs/dbraw/zinc/87/38/23/564873823.db2.gz QKAGBGDZUXFNFJ-GFCCVEGCSA-N 0 3 386.286 3.263 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)C[C@@H](C)C(=O)NC)cc1OCC ZINC000093898919 564891904 /nfs/dbraw/zinc/89/19/04/564891904.db2.gz JSLNKBFNKIXEGG-CYBMUJFWSA-N 0 3 399.329 3.227 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)c(Br)c(OC)c2)CC1 ZINC000106038535 564977029 /nfs/dbraw/zinc/97/70/29/564977029.db2.gz QTLMDCSRGMWHHQ-UHFFFAOYSA-N 0 3 397.313 3.237 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)CCOc2cccc(Br)c2)CC1 ZINC000106039788 564977233 /nfs/dbraw/zinc/97/72/33/564977233.db2.gz UMHOWACNUHDTDG-UHFFFAOYSA-N 0 3 381.314 3.375 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000369204278 565080827 /nfs/dbraw/zinc/08/08/27/565080827.db2.gz OCDAWMSHAUXIRC-ICSRJNTNSA-N 0 3 389.337 3.420 20 30 GGEDHN Cc1cc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cccc(CO)c2)c(C)s1 ZINC000292415375 565115321 /nfs/dbraw/zinc/11/53/21/565115321.db2.gz ZCZDLSLXLUUMEV-UHFFFAOYSA-O 0 3 375.539 3.226 20 30 GGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CC[NH+](CC3CCCC3)CC2)c1 ZINC000184225447 565120288 /nfs/dbraw/zinc/12/02/88/565120288.db2.gz LXJNJKDZUZECNG-UHFFFAOYSA-N 0 3 381.929 3.145 20 30 GGEDHN N#CCSc1cccc(C(=O)NCC2(N3CCSCC3)CCCC2)c1 ZINC000370169184 565131925 /nfs/dbraw/zinc/13/19/25/565131925.db2.gz MSAUYISXBVDYOU-UHFFFAOYSA-N 0 3 375.563 3.394 20 30 GGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267989831 565136754 /nfs/dbraw/zinc/13/67/54/565136754.db2.gz RAIMZCUYCKVITN-KDOFPFPSSA-N 0 3 378.567 3.497 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089527 565141150 /nfs/dbraw/zinc/14/11/50/565141150.db2.gz ZUVXHBYRMMEFKT-SJCJKPOMSA-N 0 3 386.323 3.365 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(OC)c(OC)cc2Br)CC1 ZINC000294649683 565220993 /nfs/dbraw/zinc/22/09/93/565220993.db2.gz PNVPHFYUFDAPHD-UHFFFAOYSA-N 0 3 397.313 3.237 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Cc2cc(OC)ccc2Br)CC1 ZINC000160071432 565230286 /nfs/dbraw/zinc/23/02/86/565230286.db2.gz TYFOJKKVVPUOMM-UHFFFAOYSA-N 0 3 381.314 3.157 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H](O)c1ccccc1Br ZINC000295314326 565259101 /nfs/dbraw/zinc/25/91/01/565259101.db2.gz LLNIGOYYKXRSID-ROUUACIJSA-N 0 3 375.266 3.020 20 30 GGEDHN N#CC(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000161935145 565297427 /nfs/dbraw/zinc/29/74/27/565297427.db2.gz VTFUOCDYOLUKSY-GFCCVEGCSA-N 0 3 393.140 3.084 20 30 GGEDHN C=CCN1CCC(NCc2ncc(Br)cc2Br)CC1 ZINC000273214798 565313114 /nfs/dbraw/zinc/31/31/14/565313114.db2.gz OFAOWKLOIDYMEN-UHFFFAOYSA-N 0 3 389.135 3.347 20 30 GGEDHN N#Cc1ccc(OCCN2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000374010014 565315105 /nfs/dbraw/zinc/31/51/05/565315105.db2.gz KPEXVASYNLPFDG-UHFFFAOYSA-N 0 3 375.270 3.233 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 ZINC000170946194 565400680 /nfs/dbraw/zinc/40/06/80/565400680.db2.gz NQOLDHHNJYQISV-UHFFFAOYSA-N 0 3 389.297 3.015 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000298463013 565415556 /nfs/dbraw/zinc/41/55/56/565415556.db2.gz RSAYIPGWQKXXAT-ZWKOTPCHSA-N 0 3 375.266 3.020 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000171704481 565445754 /nfs/dbraw/zinc/44/57/54/565445754.db2.gz HWLYUVDAEPKLLP-ZDUSSCGKSA-N 0 3 396.329 3.468 20 30 GGEDHN C=CCN1CCC(NC(=O)CCc2ccc(OC)c(Br)c2)CC1 ZINC000171724338 565447429 /nfs/dbraw/zinc/44/74/29/565447429.db2.gz RSWYZNUCXVUFBZ-UHFFFAOYSA-N 0 3 381.314 3.157 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)CCc2ccc(Br)cc2)CC1 ZINC000171742032 565447788 /nfs/dbraw/zinc/44/77/88/565447788.db2.gz WNZXNTIQDWSHIH-UHFFFAOYSA-N 0 3 380.330 3.283 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)c(OC)cc2OC)CC1 ZINC000189622605 565478507 /nfs/dbraw/zinc/47/85/07/565478507.db2.gz UMVUJQOBZQSSOZ-UHFFFAOYSA-N 0 3 398.301 3.238 20 30 GGEDHN N#Cc1cc(Br)ccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000302128743 565531526 /nfs/dbraw/zinc/53/15/26/565531526.db2.gz BJYVLYIFZHBDOB-GOSISDBHSA-N 0 3 386.293 3.152 20 30 GGEDHN CN(Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000390616747 565557518 /nfs/dbraw/zinc/55/75/18/565557518.db2.gz YICHYUJWPSPVAX-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000173580453 565568631 /nfs/dbraw/zinc/56/86/31/565568631.db2.gz KJLZVHPDHKNKDC-CQSZACIVSA-N 0 3 381.314 3.373 20 30 GGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752937 565576379 /nfs/dbraw/zinc/57/63/79/565576379.db2.gz XEKMXGNEGZTWFG-IPYPFGDCSA-N 0 3 377.286 3.187 20 30 GGEDHN C[N@H+](CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000310529166 565579502 /nfs/dbraw/zinc/57/95/02/565579502.db2.gz BCWUJUIZFPUDOA-UHFFFAOYSA-N 0 3 377.897 3.012 20 30 GGEDHN C[N@@H+](CCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Cc1ccccc1 ZINC000310529166 565579509 /nfs/dbraw/zinc/57/95/09/565579509.db2.gz BCWUJUIZFPUDOA-UHFFFAOYSA-N 0 3 377.897 3.012 20 30 GGEDHN CN(Cc1cccc(Br)c1)C[C@H](O)COc1ccccc1C#N ZINC000320626437 565603187 /nfs/dbraw/zinc/60/31/87/565603187.db2.gz CWQSCQJIVKUSKX-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430383 565609158 /nfs/dbraw/zinc/60/91/58/565609158.db2.gz STTQIIPJMQRIDF-KFWWJZLASA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000328835153 565643019 /nfs/dbraw/zinc/64/30/19/565643019.db2.gz SGGGONUFGNVZCX-YYQUZTFQSA-N 0 3 397.313 3.287 20 30 GGEDHN CCN1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000329083927 565653505 /nfs/dbraw/zinc/65/35/05/565653505.db2.gz FLEGVAHDJOMIAW-MRXNPFEDSA-N 0 3 381.929 3.296 20 30 GGEDHN CCN1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 ZINC000329083925 565653576 /nfs/dbraw/zinc/65/35/76/565653576.db2.gz FLEGVAHDJOMIAW-INIZCTEOSA-N 0 3 381.929 3.296 20 30 GGEDHN COc1cc(C#N)ccc1OCCN[C@@H](C)c1ccc(Br)cn1 ZINC000280585995 565682915 /nfs/dbraw/zinc/68/29/15/565682915.db2.gz TXVIYPVWAZEYQZ-LBPRGKRZSA-N 0 3 376.254 3.454 20 30 GGEDHN Cc1csc(C2(NC(=O)C(C)S(=O)(=O)C3CCOCC3)CCCC2)n1 ZINC000330086054 565692740 /nfs/dbraw/zinc/69/27/40/565692740.db2.gz RTRMHMJIGTYUAW-ZDUSSCGKSA-N 0 3 386.539 3.160 20 30 GGEDHN CS[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2cccs2)C[C@H]1N1CCCC1 ZINC000330122753 565693586 /nfs/dbraw/zinc/69/35/86/565693586.db2.gz KKKVYUHPGHEXPT-ZMSDIMECSA-N 0 3 381.567 3.194 20 30 GGEDHN CC(C(=O)N[C@@H]1CCOc2c(Cl)cccc21)S(=O)(=O)C1CCOCC1 ZINC000330145370 565694561 /nfs/dbraw/zinc/69/45/61/565694561.db2.gz LCXVWQBGHABFIZ-IAQYHMDHSA-N 0 3 387.885 3.102 20 30 GGEDHN CC(C(=O)NCC1(c2ccc(Cl)cc2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330156449 565696116 /nfs/dbraw/zinc/69/61/16/565696116.db2.gz PEJHACPYYYFLHB-ZDUSSCGKSA-N 0 3 385.913 3.310 20 30 GGEDHN NC(=O)c1ccc(NC(=O)CCN2CCS[C@@H]3COCC[C@@H]32)cc1Cl ZINC000330182422 565697063 /nfs/dbraw/zinc/69/70/63/565697063.db2.gz OYTCURWUCTWYGY-LSDHHAIUSA-N 0 3 383.901 3.408 20 30 GGEDHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000175406379 565697731 /nfs/dbraw/zinc/69/77/31/565697731.db2.gz AHNKLZCKMHFMGT-CANCMXDXSA-N 0 3 375.519 3.379 20 30 GGEDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc(Br)cc1Cl ZINC000330604037 565714403 /nfs/dbraw/zinc/71/44/03/565714403.db2.gz IHUSFSZEAMCBOK-LBPRGKRZSA-N 0 3 375.694 3.254 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000281454087 565731460 /nfs/dbraw/zinc/73/14/60/565731460.db2.gz BPBGFCJRAMHWHI-WKILWMFISA-N 0 3 393.300 3.296 20 30 GGEDHN CCOc1c(Cl)cc(NC(=O)N2CCO[C@H](CN(C)C)C2)cc1Cl ZINC000330983247 565733576 /nfs/dbraw/zinc/73/35/76/565733576.db2.gz JZWCLNWXEZJUAF-GFCCVEGCSA-N 0 3 376.284 3.200 20 30 GGEDHN COc1ccc(NC(=O)NC[C@@]2(N(C)C)CCSC2)cc1Br ZINC000331098140 565738651 /nfs/dbraw/zinc/73/86/51/565738651.db2.gz BLCORLDVFCEANC-HNNXBMFYSA-N 0 3 388.331 3.221 20 30 GGEDHN COc1ccc(NC(=O)NC[C@]2(N(C)C)CCSC2)cc1Br ZINC000331098141 565738938 /nfs/dbraw/zinc/73/89/38/565738938.db2.gz BLCORLDVFCEANC-OAHLLOKOSA-N 0 3 388.331 3.221 20 30 GGEDHN COc1ccc(Br)cc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000331098722 565739339 /nfs/dbraw/zinc/73/93/39/565739339.db2.gz AGHNIPKDTRWLGC-OAHLLOKOSA-N 0 3 388.331 3.221 20 30 GGEDHN C=CCN(C)CCN(CC)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000411634698 565740896 /nfs/dbraw/zinc/74/08/96/565740896.db2.gz APEKJMBXIKUBGX-UHFFFAOYSA-N 0 3 393.329 3.363 20 30 GGEDHN COc1ccc(NC(=O)NC[C@@]2(N(C)C)CCSC2)c(Br)c1 ZINC000331303578 565754332 /nfs/dbraw/zinc/75/43/32/565754332.db2.gz VVXVUOBDELAQTQ-HNNXBMFYSA-N 0 3 388.331 3.221 20 30 GGEDHN CCN(CC)CCN(CCC(F)(F)F)CC(=O)Nc1sccc1C#N ZINC000177212607 565835727 /nfs/dbraw/zinc/83/57/27/565835727.db2.gz IJBNRRDXWZJZQV-UHFFFAOYSA-N 0 3 376.448 3.154 20 30 GGEDHN CCOc1cc(C#N)cc(Br)c1OC(=O)C1CCN(C2CC2)CC1 ZINC000195300112 565874539 /nfs/dbraw/zinc/87/45/39/565874539.db2.gz RCGSXXTUEOGWRV-UHFFFAOYSA-N 0 3 393.281 3.499 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000178791324 565938134 /nfs/dbraw/zinc/93/81/34/565938134.db2.gz SFTHQMFEFMWDJD-UHFFFAOYSA-N 0 3 382.258 3.046 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000179355379 565974960 /nfs/dbraw/zinc/97/49/60/565974960.db2.gz CGRQFQUUUCEXQD-UHFFFAOYSA-N 0 3 386.323 3.148 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000179420968 565979805 /nfs/dbraw/zinc/97/98/05/565979805.db2.gz LRWUPKMMFYHWQM-UHFFFAOYSA-N 0 3 383.246 3.129 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3ccsc3C2)cc1 ZINC000287147085 566001065 /nfs/dbraw/zinc/00/10/65/566001065.db2.gz MAQKGHXFOLKFQU-LBPRGKRZSA-N 0 3 375.475 3.024 20 30 GGEDHN [NH3+]CC[C@H](NC(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986442 566023541 /nfs/dbraw/zinc/02/35/41/566023541.db2.gz ANYINABTCCZJKI-WCBMZHEXSA-N 0 3 379.251 3.147 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000287677475 566033431 /nfs/dbraw/zinc/03/34/31/566033431.db2.gz LKWKVHUSCOMFNF-QGZVFWFLSA-N 0 3 386.323 3.367 20 30 GGEDHN CC(C)c1ccc([C@H](N)CNS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000261748584 566132287 /nfs/dbraw/zinc/13/22/87/566132287.db2.gz VZCQJWZAGWDXHB-QGZVFWFLSA-N 0 3 377.897 3.313 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022890 566177967 /nfs/dbraw/zinc/17/79/67/566177967.db2.gz NQWIIQOKQWCCCF-CJNGLKHVSA-N 0 3 375.266 3.411 20 30 GGEDHN C#CCCCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000367766284 566215374 /nfs/dbraw/zinc/21/53/74/566215374.db2.gz YKSZBMOCMXUOPE-UHFFFAOYSA-N 0 3 392.341 3.468 20 30 GGEDHN C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000183016570 566235228 /nfs/dbraw/zinc/23/52/28/566235228.db2.gz GYLSXKGYDIHXNJ-UONOGXRCSA-N 0 3 381.929 3.143 20 30 GGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419848001 566251121 /nfs/dbraw/zinc/25/11/21/566251121.db2.gz UWTORKXUHHEJNG-KRWDZBQOSA-N 0 3 375.881 3.026 20 30 GGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000419848002 566251182 /nfs/dbraw/zinc/25/11/82/566251182.db2.gz UWTORKXUHHEJNG-QGZVFWFLSA-N 0 3 375.881 3.026 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000444763672 566251729 /nfs/dbraw/zinc/25/17/29/566251729.db2.gz VGTQRXDEFSAWDT-WCQYABFASA-N 0 3 381.295 3.473 20 30 GGEDHN Cc1cc(CNC[C@H](O)COc2ccc(C#N)cc2)ccc1Br ZINC000575117576 566252017 /nfs/dbraw/zinc/25/20/17/566252017.db2.gz WGWCUHNTKBUIPF-INIZCTEOSA-N 0 3 375.266 3.159 20 30 GGEDHN N#Cc1ccccc1OC[C@H](O)CNC1(c2ccc(Br)cc2)CC1 ZINC000599349489 566255345 /nfs/dbraw/zinc/25/53/45/566255345.db2.gz PADFCFBEACUBPY-QGZVFWFLSA-N 0 3 387.277 3.339 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000576520334 566354193 /nfs/dbraw/zinc/35/41/93/566354193.db2.gz LRYHLYKPSJZQSB-UHOSZYNNSA-N 0 3 392.341 3.182 20 30 GGEDHN Cc1ccc(Br)cc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600732722 566360358 /nfs/dbraw/zinc/36/03/58/566360358.db2.gz DTOBHICJNITCPM-QGZVFWFLSA-N 0 3 375.266 3.159 20 30 GGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccccc1Br ZINC000600736936 566362120 /nfs/dbraw/zinc/36/21/20/566362120.db2.gz UBBUSJIGYKOLLU-QILLFSRXSA-N 0 3 387.277 3.206 20 30 GGEDHN Cc1c(Br)cccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600750920 566362286 /nfs/dbraw/zinc/36/22/86/566362286.db2.gz XQKAQBIRHMNPLQ-MRXNPFEDSA-N 0 3 375.266 3.159 20 30 GGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccccc1Br ZINC000600736937 566362589 /nfs/dbraw/zinc/36/25/89/566362589.db2.gz UBBUSJIGYKOLLU-UWWQBHOKSA-N 0 3 387.277 3.206 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000576609577 566362683 /nfs/dbraw/zinc/36/26/83/566362683.db2.gz HIFKWRNDLGYOFM-CRAIPNDOSA-N 0 3 378.314 3.058 20 30 GGEDHN C=CCC[C@@H](O)CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248236 566367675 /nfs/dbraw/zinc/36/76/75/566367675.db2.gz DSVFFHKBSFHNSP-RISCZKNCSA-N 0 3 382.220 3.418 20 30 GGEDHN C=CCC[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248230 566368064 /nfs/dbraw/zinc/36/80/64/566368064.db2.gz DSVFFHKBSFHNSP-BXUZGUMPSA-N 0 3 382.220 3.418 20 30 GGEDHN Cc1cc(C)c(C(=O)C(C#N)c2ccncn2)cc1I ZINC000483806152 566402712 /nfs/dbraw/zinc/40/27/12/566402712.db2.gz KFBDNZQBTFEVEK-LBPRGKRZSA-N 0 3 377.185 3.188 20 30 GGEDHN CC[C@H](NCCNS(=O)(=O)c1cc(C)sc1C)c1ccc(C#N)cc1 ZINC000447582071 566417673 /nfs/dbraw/zinc/41/76/73/566417673.db2.gz XSURIHCXFFMQRY-KRWDZBQOSA-N 0 3 377.535 3.256 20 30 GGEDHN N#Cc1cc(Br)ccc1CN[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000558116339 566450833 /nfs/dbraw/zinc/45/08/33/566450833.db2.gz FPYJZWGXKDQZPN-ZWKOTPCHSA-N 0 3 378.314 3.054 20 30 GGEDHN N#CCCC[C@H](N)C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000602529054 566475584 /nfs/dbraw/zinc/47/55/84/566475584.db2.gz DNXMINADYYXJNZ-GJZGRUSLSA-N 0 3 382.327 3.163 20 30 GGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000602519981 566475617 /nfs/dbraw/zinc/47/56/17/566475617.db2.gz CIMNCSDGVDUASE-KBPBESRZSA-N 0 3 387.307 3.422 20 30 GGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@H](O)COc1cccc(Cl)c1Cl ZINC000602519985 566475923 /nfs/dbraw/zinc/47/59/23/566475923.db2.gz CIMNCSDGVDUASE-KGLIPLIRSA-N 0 3 387.307 3.422 20 30 GGEDHN N#CCCC[C@H](N)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544260 566477471 /nfs/dbraw/zinc/47/74/71/566477471.db2.gz GREJYLZZAQMSPN-GOEBONIOSA-N 0 3 389.297 3.445 20 30 GGEDHN CN(C)[C@H](CNC(=O)c1cccc(C#N)c1Br)Cc1ccccc1 ZINC000448608709 566482432 /nfs/dbraw/zinc/48/24/32/566482432.db2.gz XBALIDFMWXYBSO-INIZCTEOSA-N 0 3 386.293 3.223 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(I)c(F)c2)nc(C)n1 ZINC000511744254 566487095 /nfs/dbraw/zinc/48/70/95/566487095.db2.gz WILNAOLXDFCYTB-NSHDSACASA-N 0 3 395.175 3.327 20 30 GGEDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@@H](C)CC2(C#N)CCOCC2)c1 ZINC000602693716 566487550 /nfs/dbraw/zinc/48/75/50/566487550.db2.gz FVTIVTRXEIHQAB-AWEZNQCLSA-N 0 3 384.929 3.322 20 30 GGEDHN N#CCC1(CN2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000602790813 566494582 /nfs/dbraw/zinc/49/45/82/566494582.db2.gz KSAKXRLGNJBDPX-CYBMUJFWSA-N 0 3 377.286 3.188 20 30 GGEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000558709931 566502097 /nfs/dbraw/zinc/50/20/97/566502097.db2.gz YIMXEXNWUZFLRS-INIZCTEOSA-N 0 3 375.314 3.447 20 30 GGEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000558709932 566502323 /nfs/dbraw/zinc/50/23/23/566502323.db2.gz YIMXEXNWUZFLRS-MRXNPFEDSA-N 0 3 375.314 3.447 20 30 GGEDHN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424109435 566513098 /nfs/dbraw/zinc/51/30/98/566513098.db2.gz AKUJZIQLYAPUOE-CABCVRRESA-N 0 3 380.286 3.142 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000424102031 566513173 /nfs/dbraw/zinc/51/31/73/566513173.db2.gz AFFMILWMUHJYRX-CQSZACIVSA-N 0 3 393.310 3.456 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000424135645 566513997 /nfs/dbraw/zinc/51/39/97/566513997.db2.gz JSDXZLOICMQUFN-LLVKDONJSA-N 0 3 398.261 3.066 20 30 GGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000424203715 566519337 /nfs/dbraw/zinc/51/93/37/566519337.db2.gz RMRBEKZDFFEJIT-IRXDYDNUSA-N 0 3 378.314 3.394 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1Cc1cccc(Br)c1 ZINC000424203712 566520358 /nfs/dbraw/zinc/52/03/58/566520358.db2.gz RMRBEKZDFFEJIT-DLBZAZTESA-N 0 3 378.314 3.394 20 30 GGEDHN CC1(C#N)CCC(NCC(=O)Nc2ccc(I)cc2)CC1 ZINC000449312997 566548824 /nfs/dbraw/zinc/54/88/24/566548824.db2.gz NWTOFWXVUWFPGU-UHFFFAOYSA-N 0 3 397.260 3.292 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000465856686 566549731 /nfs/dbraw/zinc/54/97/31/566549731.db2.gz DFPNVQITRVJEMV-AWEZNQCLSA-N 0 3 396.329 3.166 20 30 GGEDHN N#Cc1ncn(CCNCc2ccc(-c3cccc(Br)c3)s2)n1 ZINC000512893702 566567855 /nfs/dbraw/zinc/56/78/55/566567855.db2.gz FQSUECBEWRKKIW-UHFFFAOYSA-N 0 3 388.294 3.431 20 30 GGEDHN N#Cc1ncn(CCNCc2ccc(-c3ccccc3Br)cc2)n1 ZINC000512892664 566567927 /nfs/dbraw/zinc/56/79/27/566567927.db2.gz WVHXGLLHSQOQFJ-UHFFFAOYSA-N 0 3 382.265 3.369 20 30 GGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449603302 566582461 /nfs/dbraw/zinc/58/24/61/566582461.db2.gz VUHCVOHKLSHHGN-LBPRGKRZSA-N 0 3 383.286 3.462 20 30 GGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449678036 566588753 /nfs/dbraw/zinc/58/87/53/566588753.db2.gz DMWREWPCJWBXFA-ZDUSSCGKSA-N 0 3 383.286 3.462 20 30 GGEDHN COc1ccc(Br)cc1C[C@@H](CO)CNCc1cc(C#N)cs1 ZINC000449681559 566590980 /nfs/dbraw/zinc/59/09/80/566590980.db2.gz MBFKBAJHXRHIIV-CYBMUJFWSA-N 0 3 395.322 3.332 20 30 GGEDHN C=CCCO[C@H](C)C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101145 566605139 /nfs/dbraw/zinc/60/51/39/566605139.db2.gz YCWDTVAPMOTGHA-CQSZACIVSA-N 0 3 398.345 3.367 20 30 GGEDHN N#Cc1cc(Br)cnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425271392 566626503 /nfs/dbraw/zinc/62/65/03/566626503.db2.gz CQUVTNXRPKDRSP-MAUKXSAKSA-N 0 3 383.293 3.426 20 30 GGEDHN CN(C)CCN(Cc1ccco1)C(=O)c1cccc(C#N)c1Br ZINC000450088762 566632256 /nfs/dbraw/zinc/63/22/56/566632256.db2.gz QWDGWPHUQOREOO-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000514667414 566660105 /nfs/dbraw/zinc/66/01/05/566660105.db2.gz JKUOMSNLNCUQNI-QGZVFWFLSA-N 0 3 390.281 3.118 20 30 GGEDHN N#CCCC[C@H](N)C(=O)NCCOc1ccc2cc(Br)ccc2c1 ZINC000514667413 566660472 /nfs/dbraw/zinc/66/04/72/566660472.db2.gz JKUOMSNLNCUQNI-KRWDZBQOSA-N 0 3 390.281 3.118 20 30 GGEDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1ncc(Br)cc1C#N ZINC000450458898 566673591 /nfs/dbraw/zinc/67/35/91/566673591.db2.gz ZDHYCGJDTLJTOK-YOEHRIQHSA-N 0 3 386.297 3.240 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnsc1Cl ZINC000514874281 566676941 /nfs/dbraw/zinc/67/69/41/566676941.db2.gz KRWLHJNNUDRSCB-UHFFFAOYSA-N 0 3 384.962 3.290 20 30 GGEDHN N#Cc1ccc([C@H](NCCc2c[nH]c3cccc(Br)c23)C(N)=O)cc1 ZINC000514979636 566683324 /nfs/dbraw/zinc/68/33/24/566683324.db2.gz IBWDGKVVOVOBTI-SFHVURJKSA-N 0 3 397.276 3.161 20 30 GGEDHN CC(C#N)C(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccco1 ZINC000468193455 566688683 /nfs/dbraw/zinc/68/86/83/566688683.db2.gz UXFJIUDMBIJRDA-GFCCVEGCSA-N 0 3 390.237 3.169 20 30 GGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000580510196 566699583 /nfs/dbraw/zinc/69/95/83/566699583.db2.gz CBPCVWZMOCHTKS-GOEBONIOSA-N 0 3 390.325 3.264 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@H](O)C(F)F)cc1OCC ZINC000561534852 566717199 /nfs/dbraw/zinc/71/71/99/566717199.db2.gz WOKWRCDPFXKAFU-LBPRGKRZSA-N 0 3 380.229 3.128 20 30 GGEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC000515559473 566720604 /nfs/dbraw/zinc/72/06/04/566720604.db2.gz QMEWMURDCIUFAD-OLZOCXBDSA-N 0 3 393.333 3.141 20 30 GGEDHN CN(C)[C@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000451052460 566744605 /nfs/dbraw/zinc/74/46/05/566744605.db2.gz WOBPETOTCOZJIC-QGZVFWFLSA-N 0 3 383.945 3.195 20 30 GGEDHN N#CCc1ccc(S(=O)(=O)N2CCC(N3CCCCC3)CC2)c(Cl)c1 ZINC000451081666 566750139 /nfs/dbraw/zinc/75/01/39/566750139.db2.gz SNDGSXJMOSMTTJ-UHFFFAOYSA-N 0 3 381.929 3.045 20 30 GGEDHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451104145 566758383 /nfs/dbraw/zinc/75/83/83/566758383.db2.gz PNESVXRPUCXHHS-AWEZNQCLSA-N 0 3 383.945 3.195 20 30 GGEDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306960 566792815 /nfs/dbraw/zinc/79/28/15/566792815.db2.gz TWPYWGJPUOAZGX-RBSFLKMASA-N 0 3 383.945 3.051 20 30 GGEDHN CC(C#N)C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000609921377 566795766 /nfs/dbraw/zinc/79/57/66/566795766.db2.gz OVJJBPRFBPBYDS-JTQLQIEISA-N 0 3 390.203 3.276 20 30 GGEDHN C[C@H](Cc1ccc(Cl)cc1Cl)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000517025408 566801194 /nfs/dbraw/zinc/80/11/94/566801194.db2.gz RCAVBKKVAUBDED-GFCCVEGCSA-N 0 3 398.315 3.255 20 30 GGEDHN C[C@@H](Cc1ccc(Cl)cc1Cl)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000517025409 566801492 /nfs/dbraw/zinc/80/14/92/566801492.db2.gz RCAVBKKVAUBDED-LBPRGKRZSA-N 0 3 398.315 3.255 20 30 GGEDHN N#Cc1ncc(NC(=O)NCC2(N3CCSCC3)CCCC2)cc1Cl ZINC000562623563 566807657 /nfs/dbraw/zinc/80/76/57/566807657.db2.gz AVWUUYGHKPIWAO-UHFFFAOYSA-N 0 3 379.917 3.090 20 30 GGEDHN C=CCN1CCC(NC(=O)CCOc2ccc(C)cc2Br)CC1 ZINC000517309129 566819360 /nfs/dbraw/zinc/81/93/60/566819360.db2.gz BBAFXSZGWWBTNY-UHFFFAOYSA-N 0 3 381.314 3.293 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2csc(I)c2)nc(C)n1 ZINC000517426696 566825622 /nfs/dbraw/zinc/82/56/22/566825622.db2.gz HBJLFWFVXWGGJI-SNVBAGLBSA-N 0 3 383.214 3.250 20 30 GGEDHN COC(=O)C1CCN(CCCNc2ccc(Br)cc2C#N)CC1 ZINC000582083657 566830135 /nfs/dbraw/zinc/83/01/35/566830135.db2.gz GTFUIUKCSQYYQM-UHFFFAOYSA-N 0 3 380.286 3.008 20 30 GGEDHN CCN(CCN1CCCCCC1)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451577645 566843904 /nfs/dbraw/zinc/84/39/04/566843904.db2.gz VSUOIBSCLWUPBF-UHFFFAOYSA-N 0 3 383.945 3.293 20 30 GGEDHN C=CCN1CCC(NC(=O)CCc2ccc(Br)cc2OC)CC1 ZINC000543011216 566844701 /nfs/dbraw/zinc/84/47/01/566844701.db2.gz MYMDUWFNJHHXQK-UHFFFAOYSA-N 0 3 381.314 3.157 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428533981 566852105 /nfs/dbraw/zinc/85/21/05/566852105.db2.gz HVXKUPROCHRCHL-OAHLLOKOSA-N 0 3 377.257 3.401 20 30 GGEDHN CC(C#N)C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000490478985 566856796 /nfs/dbraw/zinc/85/67/96/566856796.db2.gz JKBHJMBOFSLCFU-NSHDSACASA-N 0 3 389.253 3.365 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(I)c2)CC1 ZINC000518008070 566860427 /nfs/dbraw/zinc/86/04/27/566860427.db2.gz SCXXGDSGLMRKLN-UHFFFAOYSA-N 0 3 399.276 3.453 20 30 GGEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)OC ZINC000451680845 566861991 /nfs/dbraw/zinc/86/19/91/566861991.db2.gz KZFURWOSRSLEGT-KGLIPLIRSA-N 0 3 387.263 3.042 20 30 GGEDHN N#Cc1ccc(O[C@@H]2CCN(CCOc3ccc(Br)cc3)C2)nc1 ZINC000428797573 566879916 /nfs/dbraw/zinc/87/99/16/566879916.db2.gz DNXBHADWOMFNOR-QGZVFWFLSA-N 0 3 388.265 3.248 20 30 GGEDHN N#Cc1ccc2c(c1)[C@H](NCCNC(=O)c1cccc(Br)c1)CC2 ZINC000518445206 566884113 /nfs/dbraw/zinc/88/41/13/566884113.db2.gz CFHNCPQDQOEPOK-GOSISDBHSA-N 0 3 384.277 3.328 20 30 GGEDHN CN(C)CCN(Cc1ccccn1)c1cc(Br)c(C#N)cc1F ZINC000563426945 566884398 /nfs/dbraw/zinc/88/43/98/566884398.db2.gz OQJVFIBITJYPBN-UHFFFAOYSA-N 0 3 377.261 3.423 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C2=Cc3cc(Br)ccc3OC2)CC1 ZINC000518497077 566887641 /nfs/dbraw/zinc/88/76/41/566887641.db2.gz VKEMMUDIFVDRLT-UHFFFAOYSA-N 0 3 391.309 3.382 20 30 GGEDHN N#Cc1cccc(OCCN[C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428992195 566896278 /nfs/dbraw/zinc/89/62/78/566896278.db2.gz AJAQCEAAZYKRTO-QGZVFWFLSA-N 0 3 379.229 3.162 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000518624150 566896458 /nfs/dbraw/zinc/89/64/58/566896458.db2.gz CJZJKAZZKDDHOP-DLBZAZTESA-N 0 3 378.314 3.255 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000518624151 566896728 /nfs/dbraw/zinc/89/67/28/566896728.db2.gz CJZJKAZZKDDHOP-IAGOWNOFSA-N 0 3 378.314 3.255 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(Br)s2)cc1 ZINC000470736979 566899921 /nfs/dbraw/zinc/89/99/21/566899921.db2.gz MYARFYQLLSXEAK-AWEZNQCLSA-N 0 3 388.290 3.423 20 30 GGEDHN N#Cc1ccc(OCCN[C@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429030128 566903566 /nfs/dbraw/zinc/90/35/66/566903566.db2.gz QRMYZKQFBNIENZ-QGZVFWFLSA-N 0 3 379.229 3.162 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(F)ccc2Br)cc1 ZINC000470844179 566909398 /nfs/dbraw/zinc/90/93/98/566909398.db2.gz JQYZWPFCDBZUIL-CQSZACIVSA-N 0 3 386.224 3.459 20 30 GGEDHN COc1ccc(Br)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470841453 566909493 /nfs/dbraw/zinc/90/94/93/566909493.db2.gz OERYAFZGOJGJAI-OAHLLOKOSA-N 0 3 398.260 3.328 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386237 566915159 /nfs/dbraw/zinc/91/51/59/566915159.db2.gz GKJHKDKFCLCPBU-DYVFJYSZSA-N 0 3 375.266 3.411 20 30 GGEDHN Cc1cc(CC(C)(C)NCC(=O)NC2(C#N)CCC2)ccc1Br ZINC000429239002 566916536 /nfs/dbraw/zinc/91/65/36/566916536.db2.gz SHTRCNZRDHRPDR-UHFFFAOYSA-N 0 3 378.314 3.231 20 30 GGEDHN CCN(CCC#N)C(=O)CN[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429272898 566917908 /nfs/dbraw/zinc/91/79/08/566917908.db2.gz LBMRLIDBEIHEQU-KRWDZBQOSA-N 0 3 378.314 3.424 20 30 GGEDHN C[C@@H](N[C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280381 566919022 /nfs/dbraw/zinc/91/90/22/566919022.db2.gz YLRVAZJBXXSACL-WBMJQRKESA-N 0 3 378.314 3.423 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309549 566921440 /nfs/dbraw/zinc/92/14/40/566921440.db2.gz RSJGHWGNQLVXIH-ABAIWWIYSA-N 0 3 394.313 3.062 20 30 GGEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000492106449 566925061 /nfs/dbraw/zinc/92/50/61/566925061.db2.gz NLNWEXSTAOQCHA-UHFFFAOYSA-N 0 3 383.945 3.487 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429378469 566927358 /nfs/dbraw/zinc/92/73/58/566927358.db2.gz HPJYIUCJRJALMW-QGZVFWFLSA-N 0 3 378.314 3.424 20 30 GGEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000492438848 566933006 /nfs/dbraw/zinc/93/30/06/566933006.db2.gz JQBTWEJEWKXJBC-UHFFFAOYSA-N 0 3 383.945 3.487 20 30 GGEDHN CCC[C@H]1CN(Cc2cc(C#N)ccc2Br)CCN1CCOC ZINC000492720234 566938339 /nfs/dbraw/zinc/93/83/39/566938339.db2.gz HMSPOTQOJPDNQI-KRWDZBQOSA-N 0 3 380.330 3.253 20 30 GGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129732 566940866 /nfs/dbraw/zinc/94/08/66/566940866.db2.gz XWGRYBQHYXOKPL-HEHGZKQESA-N 0 3 376.298 3.123 20 30 GGEDHN C[C@@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN(C2CCC2)C1 ZINC000452319829 566962758 /nfs/dbraw/zinc/96/27/58/566962758.db2.gz GJXIQDQQKWXAQF-ZDUSSCGKSA-N 0 3 376.298 3.267 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2cccs2)cc1 ZINC000429917590 566967734 /nfs/dbraw/zinc/96/77/34/566967734.db2.gz DCUUXDAYNVBONU-CYBMUJFWSA-N 0 3 377.491 3.140 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000429949694 566969746 /nfs/dbraw/zinc/96/97/46/566969746.db2.gz REODDDLTZFFIJT-LBPRGKRZSA-N 0 3 377.853 3.347 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccccc2Cl)cc1 ZINC000429949693 566969804 /nfs/dbraw/zinc/96/98/04/566969804.db2.gz REODDDLTZFFIJT-GFCCVEGCSA-N 0 3 377.853 3.347 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000564492480 566979483 /nfs/dbraw/zinc/97/94/83/566979483.db2.gz SRKGKABPRSRFOG-AWEZNQCLSA-N 0 3 383.945 3.094 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ncc(Br)cc3c2)nc(C)n1 ZINC000682010928 567022849 /nfs/dbraw/zinc/02/28/49/567022849.db2.gz GHYZYUXORGRXHL-AWEZNQCLSA-N 0 3 382.221 3.289 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(Br)c(F)c2)CC1 ZINC000494809733 567023914 /nfs/dbraw/zinc/02/39/14/567023914.db2.gz HETNAUMYIFEXRK-UHFFFAOYSA-N 0 3 384.293 3.380 20 30 GGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(CS(C)(=O)=O)cc2)s1 ZINC000430597025 567025571 /nfs/dbraw/zinc/02/55/71/567025571.db2.gz KVNYYWVZVNMFHD-CQSZACIVSA-N 0 3 376.503 3.475 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@H]2CCCNC2=O)cc1OCC ZINC000657288164 567044532 /nfs/dbraw/zinc/04/45/32/567044532.db2.gz TXSKNXTWPILAMO-CQSZACIVSA-N 0 3 397.313 3.028 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cccc(I)c2C)nc(C)n1 ZINC000473171797 567067383 /nfs/dbraw/zinc/06/73/83/567067383.db2.gz RFTVIAWBFLNBFU-ZDUSSCGKSA-N 0 3 391.212 3.497 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(SC)ccc2Cl)CC1 ZINC000657627103 567077020 /nfs/dbraw/zinc/07/70/20/567077020.db2.gz HOEIYMSOJWOQGF-UHFFFAOYSA-N 0 3 381.929 3.157 20 30 GGEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@@H](C)CC)CC1 ZINC000453425471 567087016 /nfs/dbraw/zinc/08/70/16/567087016.db2.gz MUIVRZVBBQVWOG-ZDUSSCGKSA-N 0 3 393.333 3.142 20 30 GGEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN([C@H](C)CC)CC1 ZINC000453425470 567087298 /nfs/dbraw/zinc/08/72/98/567087298.db2.gz MUIVRZVBBQVWOG-CYBMUJFWSA-N 0 3 393.333 3.142 20 30 GGEDHN C=CCN1CCC(Nc2nc(N)c3cc(OC)cc(Br)c3n2)CC1 ZINC000683185526 567102935 /nfs/dbraw/zinc/10/29/35/567102935.db2.gz TZHNPVWUKVEZEU-UHFFFAOYSA-N 0 3 392.301 3.045 20 30 GGEDHN C=CCC[C@H](NCCNC(=O)c1ccc(Br)cn1)c1ccco1 ZINC000658092608 567121972 /nfs/dbraw/zinc/12/19/72/567121972.db2.gz OMQGHDQTKYSRLQ-AWEZNQCLSA-N 0 3 378.270 3.464 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000588979299 567147665 /nfs/dbraw/zinc/14/76/65/567147665.db2.gz KUBGVAWRPJABHF-JZXOWHBKSA-N 0 3 376.298 3.057 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000636738412 567164045 /nfs/dbraw/zinc/16/40/45/567164045.db2.gz CCINPBPQADDLFA-KRWDZBQOSA-N 0 3 386.323 3.367 20 30 GGEDHN Cc1cc(I)cc(C(=O)C(C#N)c2ccncn2)c1C ZINC000546858940 567164275 /nfs/dbraw/zinc/16/42/75/567164275.db2.gz UMGVQHNSYRBWPE-CYBMUJFWSA-N 0 3 377.185 3.188 20 30 GGEDHN N#CC(C(=O)c1ccc(I)c(Cl)c1)c1ccncn1 ZINC000546859827 567166737 /nfs/dbraw/zinc/16/67/37/567166737.db2.gz QWDRQQXZYANOGY-VIFPVBQESA-N 0 3 383.576 3.225 20 30 GGEDHN CC1(C)Cc2ccc(Br)cc2[C@@H]1NCC(=O)NC1(C#N)CCC1 ZINC000567054117 567213539 /nfs/dbraw/zinc/21/35/39/567213539.db2.gz UZXFHJYKOQOZMP-INIZCTEOSA-N 0 3 376.298 3.225 20 30 GGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)s1 ZINC000433011262 567215583 /nfs/dbraw/zinc/21/55/83/567215583.db2.gz NTLLRNXHQVRLIS-UHFFFAOYSA-N 0 3 378.929 3.020 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CCCC(=O)N2)cc1OCC ZINC000433203068 567232076 /nfs/dbraw/zinc/23/20/76/567232076.db2.gz WFLNQCQTMCKLIB-AWEZNQCLSA-N 0 3 397.313 3.171 20 30 GGEDHN C=C(C)COCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000475424908 567246767 /nfs/dbraw/zinc/24/67/67/567246767.db2.gz UZSMILHASGIPSL-UHFFFAOYSA-N 0 3 398.345 3.115 20 30 GGEDHN N#Cc1ccc(Br)c(CN2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000617194770 567290434 /nfs/dbraw/zinc/29/04/34/567290434.db2.gz BFNVDCUTDCCLJK-QGZVFWFLSA-N 0 3 378.314 3.007 20 30 GGEDHN Cc1cc(Br)ccc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000591734865 567293792 /nfs/dbraw/zinc/29/37/92/567293792.db2.gz IHDLKPNRRGYIKE-GOSISDBHSA-N 0 3 389.293 3.353 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000660598382 567312110 /nfs/dbraw/zinc/31/21/10/567312110.db2.gz XOCCZPNGBPOIKG-MRXNPFEDSA-N 0 3 386.323 3.367 20 30 GGEDHN C=CCN1CCC(NC(=O)CCCOc2cccc(Br)c2)CC1 ZINC000592070170 567313083 /nfs/dbraw/zinc/31/30/83/567313083.db2.gz AXXWIQWCSILXEF-UHFFFAOYSA-N 0 3 381.314 3.375 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2cnccn2)cc1OC ZINC000527237729 567323629 /nfs/dbraw/zinc/32/36/29/567323629.db2.gz NPBJQTWJZPGDAI-UHFFFAOYSA-N 0 3 378.270 3.145 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(Br)c(F)c2)cc1 ZINC000568382319 567323927 /nfs/dbraw/zinc/32/39/27/567323927.db2.gz ZMBNUOAQTXIJPI-OAHLLOKOSA-N 0 3 393.256 3.184 20 30 GGEDHN C=CCCO[C@H](C)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000500945555 567354639 /nfs/dbraw/zinc/35/46/39/567354639.db2.gz OLBRTJGZNZINKM-OAHLLOKOSA-N 0 3 383.330 3.321 20 30 GGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000477773774 567416199 /nfs/dbraw/zinc/41/61/99/567416199.db2.gz BUDPKMNPGVYKKJ-SWLSCSKDSA-N 0 3 383.249 3.275 20 30 GGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000477773729 567416225 /nfs/dbraw/zinc/41/62/25/567416225.db2.gz BUDPKMNPGVYKKJ-DOMZBBRYSA-N 0 3 383.249 3.275 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(I)ccc2C)nc(C)n1 ZINC000477851477 567423330 /nfs/dbraw/zinc/42/33/30/567423330.db2.gz KOSLLIJXIHFHLV-AWEZNQCLSA-N 0 3 391.212 3.497 20 30 GGEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccc(Br)cc1 ZINC000569749116 567428292 /nfs/dbraw/zinc/42/82/92/567428292.db2.gz JUHQCNNJYJHSTR-UHFFFAOYSA-N 0 3 384.281 3.431 20 30 GGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507138 567432320 /nfs/dbraw/zinc/43/23/20/567432320.db2.gz VWCUPMGLZGYOOS-BPQIPLTHSA-N 0 3 393.325 3.249 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN[C@H]2CCc3c2cccc3Br)cc1 ZINC000569803100 567432763 /nfs/dbraw/zinc/43/27/63/567432763.db2.gz CGYXRICTFJMBAA-KUHUBIRLSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1Br ZINC000594103931 567460350 /nfs/dbraw/zinc/46/03/50/567460350.db2.gz OUZZBTNFDRPHTQ-CVEARBPZSA-N 0 3 377.286 3.459 20 30 GGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528923965 567470299 /nfs/dbraw/zinc/47/02/99/567470299.db2.gz NXSJASOTXJLBRC-YNEHKIRRSA-N 0 3 381.295 3.382 20 30 GGEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325762 567476405 /nfs/dbraw/zinc/47/64/05/567476405.db2.gz XCXZYMDQRRXNCC-ROUUACIJSA-N 0 3 398.320 3.225 20 30 GGEDHN N#Cc1cc(F)c(N2CCCN(C[C@@H]3CCCO3)CC2)cc1Br ZINC000594543919 567484935 /nfs/dbraw/zinc/48/49/35/567484935.db2.gz GGCYFCCNKHJBKG-AWEZNQCLSA-N 0 3 382.277 3.151 20 30 GGEDHN N#Cc1cc(F)c(N2CCCN(C[C@H]3CCCO3)CC2)cc1Br ZINC000594543920 567485705 /nfs/dbraw/zinc/48/57/05/567485705.db2.gz GGCYFCCNKHJBKG-CQSZACIVSA-N 0 3 382.277 3.151 20 30 GGEDHN Cc1c(Br)cccc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000594570248 567486988 /nfs/dbraw/zinc/48/69/88/567486988.db2.gz JMJODHPBGQRXQG-QGZVFWFLSA-N 0 3 389.293 3.353 20 30 GGEDHN C[C@@H]1CN(C2CCOCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000594575987 567487191 /nfs/dbraw/zinc/48/71/91/567487191.db2.gz NBMPPDOCTWADMY-GFCCVEGCSA-N 0 3 382.277 3.149 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 ZINC000437709895 567506474 /nfs/dbraw/zinc/50/64/74/567506474.db2.gz MZYYKOUNVKCSLQ-DLBZAZTESA-N 0 3 378.314 3.255 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000594753328 567506775 /nfs/dbraw/zinc/50/67/75/567506775.db2.gz IOPLPNUSYJPCIZ-HNNXBMFYSA-N 0 3 377.535 3.044 20 30 GGEDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594758385 567507704 /nfs/dbraw/zinc/50/77/04/567507704.db2.gz QJSHVOTZPIAYKB-HNNXBMFYSA-N 0 3 377.535 3.186 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CC1(N(C)C)CCC1 ZINC000594771360 567510511 /nfs/dbraw/zinc/51/05/11/567510511.db2.gz QEOAYDOOSDVCSO-UHFFFAOYSA-N 0 3 377.535 3.186 20 30 GGEDHN Cc1c(Br)cncc1CNC1CCN(c2ccc(C#N)cn2)CC1 ZINC000594928907 567526762 /nfs/dbraw/zinc/52/67/62/567526762.db2.gz WPDWFCAEMVSQKS-UHFFFAOYSA-N 0 3 386.297 3.178 20 30 GGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CNCCC1(F)F ZINC000643985763 567527102 /nfs/dbraw/zinc/52/71/02/567527102.db2.gz YHPQVUFSZNOOJM-ZDUSSCGKSA-N 0 3 391.231 3.348 20 30 GGEDHN O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@H]1CNCCC1(F)F ZINC000644046629 567527751 /nfs/dbraw/zinc/52/77/51/567527751.db2.gz SVRCYWOCRZHLFU-XFWSIPNHSA-N 0 3 382.295 3.257 20 30 GGEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCCNC(=O)c1ccc(Br)cn1 ZINC000595056127 567538707 /nfs/dbraw/zinc/53/87/07/567538707.db2.gz AVAOTHAZDIAJKA-KRWDZBQOSA-N 0 3 399.292 3.113 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000571201036 567545384 /nfs/dbraw/zinc/54/53/84/567545384.db2.gz GSFVWCGSHVOVSA-WBAXXEDZSA-N 0 3 376.298 3.057 20 30 GGEDHN N#Cc1ncn(CCN[C@H](c2ccccc2)c2ccc(Br)cc2)n1 ZINC000552333643 567578939 /nfs/dbraw/zinc/57/89/39/567578939.db2.gz KPKBMIATQGANGN-GOSISDBHSA-N 0 3 382.265 3.291 20 30 GGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)CC#N ZINC000459264341 567612029 /nfs/dbraw/zinc/61/20/29/567612029.db2.gz YVOVJPDJXQZSNW-UHFFFAOYSA-N 0 3 395.345 3.462 20 30 GGEDHN COc1cc(CNC[C@@H](CO)Cc2ccccc2Br)ccc1C#N ZINC000440627986 567635837 /nfs/dbraw/zinc/63/58/37/567635837.db2.gz JNGBJWSYBJEIBQ-HNNXBMFYSA-N 0 3 389.293 3.270 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)s2)cc1 ZINC000481065471 567655770 /nfs/dbraw/zinc/65/57/70/567655770.db2.gz ZLLAQRAXOIYKTB-JTQLQIEISA-N 0 3 383.882 3.409 20 30 GGEDHN CCC[C@@H]1CN(Cc2ccc(C#N)cc2Br)CCN1CCOC ZINC000481133440 567659845 /nfs/dbraw/zinc/65/98/45/567659845.db2.gz BSXHZEMAJXRVIV-QGZVFWFLSA-N 0 3 380.330 3.253 20 30 GGEDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H](C)c1ccc(C#N)cc1 ZINC000507266300 567672784 /nfs/dbraw/zinc/67/27/84/567672784.db2.gz UIROQXISEHKLIG-CQSZACIVSA-N 0 3 377.897 3.149 20 30 GGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000666969839 567715744 /nfs/dbraw/zinc/71/57/44/567715744.db2.gz CNPDZLYFLOSKHH-OAHLLOKOSA-N 0 3 383.945 3.352 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010999 567723279 /nfs/dbraw/zinc/72/32/79/567723279.db2.gz GAICZSRCMVYIIG-VBQJREDUSA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095821 567731727 /nfs/dbraw/zinc/73/17/27/567731727.db2.gz HEZCMPOEQLZYJL-GJZGRUSLSA-N 0 3 383.945 3.248 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCc2cccs2)cc1 ZINC000554506495 567732095 /nfs/dbraw/zinc/73/20/95/567732095.db2.gz AFPKMATVMLFUQV-ZDUSSCGKSA-N 0 3 377.491 3.188 20 30 GGEDHN CC(C)CC[NH+]1CCC(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443356101 567751309 /nfs/dbraw/zinc/75/13/09/567751309.db2.gz LLXJVNNOCXRVLV-UHFFFAOYSA-N 0 3 383.945 3.248 20 30 GGEDHN CC(C#N)C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000443381275 567753792 /nfs/dbraw/zinc/75/37/92/567753792.db2.gz IZIUEKROTUGGNC-JSGCOSHPSA-N 0 3 381.270 3.125 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443402839 567754749 /nfs/dbraw/zinc/75/47/49/567754749.db2.gz JMFPHQCWJMULKN-GWCFXTLKSA-N 0 3 375.226 3.322 20 30 GGEDHN N#Cc1ccc(CNCCCNC(=O)c2ccc(Br)cc2)c(F)c1 ZINC000533445700 567770180 /nfs/dbraw/zinc/77/01/80/567770180.db2.gz LBLCXFJDSSWTLM-UHFFFAOYSA-N 0 3 390.256 3.370 20 30 GGEDHN COCCN(Cc1cc(Br)cs1)C[C@H](O)CC(C)(C)C#N ZINC000598607623 567779395 /nfs/dbraw/zinc/77/93/95/567779395.db2.gz BKMPLGFKEVCPGA-CYBMUJFWSA-N 0 3 375.332 3.260 20 30 GGEDHN COC(=O)C[C@@](C)(NC[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617449 567779895 /nfs/dbraw/zinc/77/98/95/567779895.db2.gz ROAOKIPJWKXCOJ-CRAIPNDOSA-N 0 3 397.313 3.118 20 30 GGEDHN COC(=O)CCN(Cc1cccc(Br)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598616291 567779943 /nfs/dbraw/zinc/77/99/43/567779943.db2.gz NRXAUVYOTRGGDF-INIZCTEOSA-N 0 3 397.313 3.115 20 30 GGEDHN COC(=O)CCN(Cc1cccc(Br)c1)C[C@H](O)CC(C)(C)C#N ZINC000598616295 567780454 /nfs/dbraw/zinc/78/04/54/567780454.db2.gz NRXAUVYOTRGGDF-MRXNPFEDSA-N 0 3 397.313 3.115 20 30 GGEDHN Cc1c(Br)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(=O)n1C ZINC000647379393 567781755 /nfs/dbraw/zinc/78/17/55/567781755.db2.gz GCAWDVYIHGMQMR-NSHDSACASA-N 0 3 392.278 3.280 20 30 GGEDHN CN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000598818028 567792294 /nfs/dbraw/zinc/79/22/94/567792294.db2.gz IXCIOAIMESUKNP-QWHCGFSZSA-N 0 3 376.762 3.158 20 30 GGEDHN N#CCc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000574842224 567800473 /nfs/dbraw/zinc/80/04/73/567800473.db2.gz KYQLODRMJDEJFJ-MRXNPFEDSA-N 0 3 381.929 3.045 20 30 GGEDHN Cc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)ncc1Br ZINC000598961992 567800782 /nfs/dbraw/zinc/80/07/82/567800782.db2.gz PWWNINJBDAPFIX-UHFFFAOYSA-N 0 3 386.297 3.178 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(-c3cccc(Br)c3)no2)CC1 ZINC000668370187 567809009 /nfs/dbraw/zinc/80/90/09/567809009.db2.gz PRRKBEIPTIFYMY-UHFFFAOYSA-N 0 3 390.281 3.484 20 30 GGEDHN N#CC(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000826379215 608494749 /nfs/dbraw/zinc/49/47/49/608494749.db2.gz MGLXOHQDPQESPB-HNNXBMFYSA-N 0 3 387.428 3.236 20 30 GGEDHN N#Cc1cccc(OCCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000053050479 1406274784 /nfs/dbraw/zinc/27/47/84/1406274784.db2.gz NUMRLFIVLXDBEV-UHFFFAOYSA-N 0 3 381.451 3.105 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000053232513 1406335905 /nfs/dbraw/zinc/33/59/05/1406335905.db2.gz VVJXVGALFDUSAT-UHFFFAOYSA-N 0 3 387.524 3.305 20 30 GGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000053420192 1406389986 /nfs/dbraw/zinc/38/99/86/1406389986.db2.gz OOLWXRFYRNNNGE-AVRDEDQJSA-N 0 3 396.487 3.347 20 30 GGEDHN Cc1cccc(OC[C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000054616277 1406786559 /nfs/dbraw/zinc/78/65/59/1406786559.db2.gz FYQXAQXZHWNUHG-IBGZPJMESA-N 0 3 394.519 3.407 20 30 GGEDHN CCN(CC)S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000006143696 1398535187 /nfs/dbraw/zinc/53/51/87/1398535187.db2.gz SDVRILWDQMJTSW-MRXNPFEDSA-N 0 3 396.472 3.083 20 30 GGEDHN Cc1csc(C(C#N)C(=O)CSc2nnnn2-c2ccc(C)cc2C)n1 ZINC000007826269 1398752320 /nfs/dbraw/zinc/75/23/20/1398752320.db2.gz FHDRMKGPPBHWCP-ZDUSSCGKSA-N 0 3 384.490 3.013 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccncc1 ZINC000007825841 1398752573 /nfs/dbraw/zinc/75/25/73/1398752573.db2.gz GOSROYAMBZIHQV-CQSZACIVSA-N 0 3 396.501 3.260 20 30 GGEDHN COc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)n1C ZINC000007834295 1398754503 /nfs/dbraw/zinc/75/45/03/1398754503.db2.gz GWWYCXYLZYWCCT-ZDUSSCGKSA-N 0 3 399.501 3.224 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000010917497 1398932344 /nfs/dbraw/zinc/93/23/44/1398932344.db2.gz UOXFMUSIJRZABA-OAQYLSRUSA-N 0 3 381.476 3.145 20 30 GGEDHN CCCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccncc1 ZINC000011211406 1398959976 /nfs/dbraw/zinc/95/99/76/1398959976.db2.gz YMTVXKSQWOJCQB-CQSZACIVSA-N 0 3 398.517 3.484 20 30 GGEDHN COc1ccc(C(=O)C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000025061415 1399730188 /nfs/dbraw/zinc/73/01/88/1399730188.db2.gz GLAPLZWBPCNOSH-UHFFFAOYSA-N 0 3 391.471 3.490 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025228072 1399775437 /nfs/dbraw/zinc/77/54/37/1399775437.db2.gz AOIHYGGWSZRBQU-TZIWHRDSSA-N 0 3 394.471 3.101 20 30 GGEDHN Cc1cccc(C)c1OC[C@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000025303767 1399793658 /nfs/dbraw/zinc/79/36/58/1399793658.db2.gz FDWBOIHMQRGFHK-HSZRJFAPSA-N 0 3 393.531 3.123 20 30 GGEDHN CN1CCN(CCCNc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000025571007 1399821005 /nfs/dbraw/zinc/82/10/05/1399821005.db2.gz BICYXEITSGRGPV-OAQYLSRUSA-N 0 3 379.464 3.257 20 30 GGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867257 1399842356 /nfs/dbraw/zinc/84/23/56/1399842356.db2.gz VBBGCSMLFDCXAB-KRWDZBQOSA-N 0 3 376.403 3.226 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000028154957 1400134894 /nfs/dbraw/zinc/13/48/94/1400134894.db2.gz SORFHDLBODHGIA-NRFANRHFSA-N 0 3 399.922 3.159 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000028321282 1400150596 /nfs/dbraw/zinc/15/05/96/1400150596.db2.gz WWXMQTJNZNMMRU-HSZRJFAPSA-N 0 3 378.520 3.200 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000028321278 1400150743 /nfs/dbraw/zinc/15/07/43/1400150743.db2.gz WWXMQTJNZNMMRU-QHCPKHFHSA-N 0 3 378.520 3.200 20 30 GGEDHN N#Cc1ccc(NCCCN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000029170820 1400252920 /nfs/dbraw/zinc/25/29/20/1400252920.db2.gz WDAAZHQWZKFWLE-UHFFFAOYSA-N 0 3 379.464 3.086 20 30 GGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CCC(C)(C)C)CC1 ZINC000055933465 1407138316 /nfs/dbraw/zinc/13/83/16/1407138316.db2.gz XXNQKAVOKFWVOT-HNNXBMFYSA-N 0 3 388.581 3.489 20 30 GGEDHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3cccc(C#N)c3)c(C)c2)CC1 ZINC000056170188 1407238229 /nfs/dbraw/zinc/23/82/29/1407238229.db2.gz BPRVHPHPTKFTHT-SFHVURJKSA-N 0 3 391.519 3.448 20 30 GGEDHN CCCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(=O)N(C)C ZINC000056510633 1407349280 /nfs/dbraw/zinc/34/92/80/1407349280.db2.gz YFMAIRSNEAGIQB-UHFFFAOYSA-N 0 3 390.553 3.017 20 30 GGEDHN CCc1ccc([C@@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)N(C)C)cc1 ZINC000043728993 1403809075 /nfs/dbraw/zinc/80/90/75/1403809075.db2.gz DEVZRCKNSLTSRF-JOCHJYFZSA-N 0 3 395.551 3.328 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000044566359 1403951205 /nfs/dbraw/zinc/95/12/05/1403951205.db2.gz LCQIGPYEVFYDEI-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nc(CCC)no1 ZINC000045002974 1404035000 /nfs/dbraw/zinc/03/50/00/1404035000.db2.gz SEECZGLJURHAKQ-UHFFFAOYSA-N 0 3 376.530 3.120 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cn2ccnc2)c1 ZINC000045785585 1404204552 /nfs/dbraw/zinc/20/45/52/1404204552.db2.gz AIBBNVKFFABORD-UHFFFAOYSA-N 0 3 387.487 3.007 20 30 GGEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000045812503 1404212755 /nfs/dbraw/zinc/21/27/55/1404212755.db2.gz RDPLSUILPSEWHO-JKSUJKDBSA-N 0 3 382.508 3.417 20 30 GGEDHN CCOc1cccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000045882889 1404233923 /nfs/dbraw/zinc/23/39/23/1404233923.db2.gz SOOVRQTYCANQLJ-UHFFFAOYSA-N 0 3 380.492 3.230 20 30 GGEDHN CCOCc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046178459 1404321823 /nfs/dbraw/zinc/32/18/23/1404321823.db2.gz DZHZFUMCFUCDJI-UHFFFAOYSA-N 0 3 394.519 3.368 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)NCc1ccccc1CN(C)C ZINC000046796063 1404592487 /nfs/dbraw/zinc/59/24/87/1404592487.db2.gz SBQUBOFJLPMNCR-UHFFFAOYSA-N 0 3 381.476 3.104 20 30 GGEDHN CC(C)n1ncc2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cnc21 ZINC000047011388 1404674506 /nfs/dbraw/zinc/67/45/06/1404674506.db2.gz IMIFGJQANXSLEX-UHFFFAOYSA-N 0 3 390.491 3.088 20 30 GGEDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000047011016 1404674558 /nfs/dbraw/zinc/67/45/58/1404674558.db2.gz FHCTYVMVWKXTAE-UHFFFAOYSA-N 0 3 396.447 3.069 20 30 GGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000047011357 1404674868 /nfs/dbraw/zinc/67/48/68/1404674868.db2.gz TWJYCPVRECPBMP-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(F)cc1Cl ZINC000047011066 1404674888 /nfs/dbraw/zinc/67/48/88/1404674888.db2.gz OSVVWCZZLZNGFH-UHFFFAOYSA-N 0 3 389.858 3.320 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000047011842 1404674934 /nfs/dbraw/zinc/67/49/34/1404674934.db2.gz CSBHHZCGEAEIDB-UHFFFAOYSA-N 0 3 388.471 3.346 20 30 GGEDHN Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)[nH]n2)cc1 ZINC000047011786 1404675345 /nfs/dbraw/zinc/67/53/45/1404675345.db2.gz YECROEQMKMPCFK-UHFFFAOYSA-N 0 3 387.487 3.461 20 30 GGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000047052204 1404688982 /nfs/dbraw/zinc/68/89/82/1404688982.db2.gz KPJSKFWHOLEAJL-QGZVFWFLSA-N 0 3 375.476 3.264 20 30 GGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)sc2nc3n(c(=O)c12)CCC3 ZINC000047359342 1404815618 /nfs/dbraw/zinc/81/56/18/1404815618.db2.gz DBKIENDQVQEKRI-LLVKDONJSA-N 0 3 389.440 3.079 20 30 GGEDHN COc1ccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000047748622 1404919254 /nfs/dbraw/zinc/91/92/54/1404919254.db2.gz FKLYDWKYUDHFFV-NRFANRHFSA-N 0 3 378.476 3.203 20 30 GGEDHN COc1ccc([C@H](CNC(=O)NCc2cccc(C#N)c2)N2CCCC2)cc1 ZINC000047748617 1404919371 /nfs/dbraw/zinc/91/93/71/1404919371.db2.gz HXIFOALXVFVIKK-NRFANRHFSA-N 0 3 378.476 3.203 20 30 GGEDHN COc1ccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)N2CCCC2)cc1 ZINC000047748615 1404919790 /nfs/dbraw/zinc/91/97/90/1404919790.db2.gz HXIFOALXVFVIKK-OAQYLSRUSA-N 0 3 378.476 3.203 20 30 GGEDHN Cc1ccc(CNC(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)cc1F ZINC000047893772 1404987988 /nfs/dbraw/zinc/98/79/88/1404987988.db2.gz CEKHXTSIFYPFTA-UHFFFAOYSA-N 0 3 395.478 3.413 20 30 GGEDHN COc1cccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)N2CCCC2)c1 ZINC000047986382 1405018985 /nfs/dbraw/zinc/01/89/85/1405018985.db2.gz TWRMAIFSTZLSPI-OAQYLSRUSA-N 0 3 378.476 3.203 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000048850913 1405307767 /nfs/dbraw/zinc/30/77/67/1405307767.db2.gz WALJLKCNRYBIPS-LJQANCHMSA-N 0 3 398.894 3.349 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000049229514 1405353970 /nfs/dbraw/zinc/35/39/70/1405353970.db2.gz WKWQMRIWCQKNOT-VQTJNVASSA-N 0 3 397.519 3.253 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000049232908 1405354979 /nfs/dbraw/zinc/35/49/79/1405354979.db2.gz CTWXYAJYUBYVNC-OAHLLOKOSA-N 0 3 388.855 3.338 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000049252811 1405357050 /nfs/dbraw/zinc/35/70/50/1405357050.db2.gz QIWHFZDIWIBTRV-LJQANCHMSA-N 0 3 384.455 3.186 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000049252838 1405357496 /nfs/dbraw/zinc/35/74/96/1405357496.db2.gz SSHHQPVKCYUNBC-UYAOXDASSA-N 0 3 397.519 3.171 20 30 GGEDHN Cc1ccc(SCC(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392631 1405375442 /nfs/dbraw/zinc/37/54/42/1405375442.db2.gz PPHPTKHSZBMZPU-MRXNPFEDSA-N 0 3 390.472 3.474 20 30 GGEDHN Cc1cc2ccccc2n1CC(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394668 1405376569 /nfs/dbraw/zinc/37/65/69/1405376569.db2.gz JYBYVUXIXARZDI-QGZVFWFLSA-N 0 3 397.442 3.337 20 30 GGEDHN N#CC(C(=O)CCCc1nc(-c2cccs2)no1)C(=O)NCc1ccccc1 ZINC000049492045 1405380117 /nfs/dbraw/zinc/38/01/17/1405380117.db2.gz SEYJRMFVHOSNSK-HNNXBMFYSA-N 0 3 394.456 3.146 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000050026684 1405455839 /nfs/dbraw/zinc/45/58/39/1405455839.db2.gz XIHSIHJSFOTUOR-NRFANRHFSA-N 0 3 380.492 3.178 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000050031813 1405458401 /nfs/dbraw/zinc/45/84/01/1405458401.db2.gz YGJMHABRFYFOMZ-GOSISDBHSA-N 0 3 389.499 3.461 20 30 GGEDHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679902 1405622720 /nfs/dbraw/zinc/62/27/20/1405622720.db2.gz NKGQLPSUPZYUDL-UXHICEINSA-N 0 3 379.460 3.108 20 30 GGEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050683517 1405623387 /nfs/dbraw/zinc/62/33/87/1405623387.db2.gz MRSZGLAYGZSZEE-HXUWFJFHSA-N 0 3 396.466 3.329 20 30 GGEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000050681886 1405623844 /nfs/dbraw/zinc/62/38/44/1405623844.db2.gz ARLFJTMLBWWTQL-ROUUACIJSA-N 0 3 389.883 3.065 20 30 GGEDHN N#CC(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)NC1CCCC1 ZINC000051652091 1405845403 /nfs/dbraw/zinc/84/54/03/1405845403.db2.gz GEUICNFKFHPFKX-OAHLLOKOSA-N 0 3 387.386 3.320 20 30 GGEDHN Cc1ccc(C(=O)CCC(=O)CCC(=O)C(C#N)C(=O)NC2CCCC2)s1 ZINC000051654442 1405845532 /nfs/dbraw/zinc/84/55/32/1405845532.db2.gz VCDCZBYIAAGRGG-INIZCTEOSA-N 0 3 388.489 3.136 20 30 GGEDHN Cc1ccccc1CN1CCCN(C(=O)CN(CCC#N)Cc2ccco2)CC1 ZINC000176292560 1428224992 /nfs/dbraw/zinc/22/49/92/1428224992.db2.gz QGZFIVJNZHOBQE-UHFFFAOYSA-N 0 3 394.519 3.038 20 30 GGEDHN C[C@H](COc1cccc(F)c1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000052581737 1406088832 /nfs/dbraw/zinc/08/88/32/1406088832.db2.gz UOANBSAGKSLZRW-QGZVFWFLSA-N 0 3 398.482 3.238 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(c2ccccc2C#N)CC1 ZINC000052801117 1406173231 /nfs/dbraw/zinc/17/32/31/1406173231.db2.gz DRMCZIRJCYKPEF-UHFFFAOYSA-N 0 3 379.489 3.032 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000056840215 1407451004 /nfs/dbraw/zinc/45/10/04/1407451004.db2.gz QWQVKDNTHYRILQ-NRFANRHFSA-N 0 3 380.467 3.458 20 30 GGEDHN N#CCc1cccc(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000056995828 1407494887 /nfs/dbraw/zinc/49/48/87/1407494887.db2.gz CZOLEUFCFLHLRD-UHFFFAOYSA-N 0 3 390.531 3.080 20 30 GGEDHN C[C@@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000176328401 1428248200 /nfs/dbraw/zinc/24/82/00/1428248200.db2.gz WUBOGJQRTQBSQR-LJQANCHMSA-N 0 3 392.503 3.395 20 30 GGEDHN COc1ccc(CCCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000057389877 1407605064 /nfs/dbraw/zinc/60/50/64/1407605064.db2.gz XAUHXKPEFUMSCH-UHFFFAOYSA-N 0 3 394.519 3.273 20 30 GGEDHN N#CC1(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000057433174 1407617060 /nfs/dbraw/zinc/61/70/60/1407617060.db2.gz VIULMXVQULKUBL-UHFFFAOYSA-N 0 3 382.552 3.175 20 30 GGEDHN C=C(C)COc1cc(CNCc2cccnc2N2CCN(C)CC2)ccc1OC ZINC000057968180 1407762169 /nfs/dbraw/zinc/76/21/69/1407762169.db2.gz SZHMFWSYDUFKSV-UHFFFAOYSA-N 0 3 396.535 3.087 20 30 GGEDHN CCN1CCN(Cc2ccc(CNC(=O)Nc3cc(C#N)ccc3C)cc2)CC1 ZINC000058452246 1407831325 /nfs/dbraw/zinc/83/13/25/1407831325.db2.gz LHBHQKBRWVDAFC-UHFFFAOYSA-N 0 3 391.519 3.326 20 30 GGEDHN N#Cc1ccccc1/C=C/C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000058490091 1407836016 /nfs/dbraw/zinc/83/60/16/1407836016.db2.gz XZWWHWBWYAKLSV-OUKQBFOZSA-N 0 3 388.515 3.290 20 30 GGEDHN Cc1cc(C)cc(OC[C@@H](O)CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000058580510 1407847531 /nfs/dbraw/zinc/84/75/31/1407847531.db2.gz DLUAJJMTPQZDLO-NRFANRHFSA-N 0 3 379.504 3.127 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000058879852 1407893572 /nfs/dbraw/zinc/89/35/72/1407893572.db2.gz ZEEWGFBLSFTRSF-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000062205183 1408218165 /nfs/dbraw/zinc/21/81/65/1408218165.db2.gz WTFYQJHPTHDNER-GOSISDBHSA-N 0 3 377.916 3.402 20 30 GGEDHN N#Cc1ccc(OCCN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000063301902 1408333181 /nfs/dbraw/zinc/33/31/81/1408333181.db2.gz OKRWKCXYLHRQMW-UHFFFAOYSA-N 0 3 383.517 3.069 20 30 GGEDHN C=CCOc1ccc(CNCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1 ZINC000063549906 1408370881 /nfs/dbraw/zinc/37/08/81/1408370881.db2.gz ZGIMYKZDXWTOCC-UHFFFAOYSA-N 0 3 388.533 3.369 20 30 GGEDHN C#CCOc1ccccc1CNC[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000063548487 1408370926 /nfs/dbraw/zinc/37/09/26/1408370926.db2.gz CGSPVPJISOGBRM-KRWDZBQOSA-N 0 3 379.378 3.247 20 30 GGEDHN COc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1OCCCC#N ZINC000064613924 1408586056 /nfs/dbraw/zinc/58/60/56/1408586056.db2.gz HPEIGSKRWRXYJL-UHFFFAOYSA-N 0 3 377.448 3.248 20 30 GGEDHN CCCOc1ncccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000064766719 1408610500 /nfs/dbraw/zinc/61/05/00/1408610500.db2.gz LZPMUKOMRZHADM-UHFFFAOYSA-N 0 3 395.507 3.015 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000064898300 1408626666 /nfs/dbraw/zinc/62/66/66/1408626666.db2.gz JQJJUYSEJBDQIU-UHFFFAOYSA-N 0 3 391.471 3.231 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000065785186 1408729272 /nfs/dbraw/zinc/72/92/72/1408729272.db2.gz FMNPYZRRMSYJAL-UHFFFAOYSA-N 0 3 387.487 3.007 20 30 GGEDHN CCOc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930222 1408755988 /nfs/dbraw/zinc/75/59/88/1408755988.db2.gz MBVMXZZFGKRUGN-UHFFFAOYSA-N 0 3 379.504 3.480 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(F)cc1Cl ZINC000065931108 1408756246 /nfs/dbraw/zinc/75/62/46/1408756246.db2.gz ZFYRMPCVIFZDMB-UHFFFAOYSA-N 0 3 389.858 3.320 20 30 GGEDHN CCC(=O)Nc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930382 1408756299 /nfs/dbraw/zinc/75/62/99/1408756299.db2.gz KWOYOSRIMGXJNN-UHFFFAOYSA-N 0 3 378.476 3.111 20 30 GGEDHN CCc1nc2ccccc2n1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931026 1408756538 /nfs/dbraw/zinc/75/65/38/1408756538.db2.gz LXKHLXOWVPGAKL-UHFFFAOYSA-N 0 3 389.503 3.061 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000065931087 1408756548 /nfs/dbraw/zinc/75/65/48/1408756548.db2.gz KFODSUZMODFSBL-UHFFFAOYSA-N 0 3 390.487 3.111 20 30 GGEDHN CN(C)Cc1cccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 ZINC000066621282 1408870666 /nfs/dbraw/zinc/87/06/66/1408870666.db2.gz KYXZVVOZODNMOG-UHFFFAOYSA-N 0 3 378.476 3.414 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)CC1 ZINC000066921799 1408952421 /nfs/dbraw/zinc/95/24/21/1408952421.db2.gz VNKUQLOSDFBVOE-UHFFFAOYSA-N 0 3 393.310 3.184 20 30 GGEDHN C#CCN1CCC(C(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000066921972 1408952459 /nfs/dbraw/zinc/95/24/59/1408952459.db2.gz VXXGDJPQINNQEB-UHFFFAOYSA-N 0 3 389.337 3.332 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)CN1Cc1ccccc1 ZINC000176577424 1428368950 /nfs/dbraw/zinc/36/89/50/1428368950.db2.gz MTPVFCINBXZUOW-PXNSSMCTSA-N 0 3 378.476 3.051 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2C)CC1 ZINC000067207155 1409042648 /nfs/dbraw/zinc/04/26/48/1409042648.db2.gz QHKAUEBCNZWEEQ-QZTJIDSGSA-N 0 3 395.547 3.397 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1 ZINC000067209438 1409043544 /nfs/dbraw/zinc/04/35/44/1409043544.db2.gz ZAEYXKKIWYTTGJ-UHFFFAOYSA-N 0 3 381.520 3.151 20 30 GGEDHN C#CCN1CCC(C(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000067234065 1409049723 /nfs/dbraw/zinc/04/97/23/1409049723.db2.gz HOMFPEWFYQTBPK-UHFFFAOYSA-N 0 3 375.310 3.290 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000067233978 1409049914 /nfs/dbraw/zinc/04/99/14/1409049914.db2.gz JRJHAWYDMVDMCY-QFIPXVFZSA-N 0 3 380.463 3.385 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000067709620 1409212779 /nfs/dbraw/zinc/21/27/79/1409212779.db2.gz XQYOHSZHPDOPKN-QZTJIDSGSA-N 0 3 381.520 3.088 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3nccc3C)cc2)n1 ZINC000067895596 1409250792 /nfs/dbraw/zinc/25/07/92/1409250792.db2.gz DIAWBZBKZYLXGW-HNNXBMFYSA-N 0 3 380.429 3.304 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3cc(C)cn3)cc2)n1 ZINC000067897572 1409251534 /nfs/dbraw/zinc/25/15/34/1409251534.db2.gz DENKUBYRNBQWLF-HNNXBMFYSA-N 0 3 380.429 3.304 20 30 GGEDHN N#CCOc1ccc(CNC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000067925889 1409256810 /nfs/dbraw/zinc/25/68/10/1409256810.db2.gz OMFJOTJETOPFAZ-IBGZPJMESA-N 0 3 381.451 3.256 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC000068115654 1409306863 /nfs/dbraw/zinc/30/68/63/1409306863.db2.gz IODWVFMJGVKHDT-UHFFFAOYSA-N 0 3 393.462 3.039 20 30 GGEDHN COc1cccc(CO[C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000068310222 1409360786 /nfs/dbraw/zinc/36/07/86/1409360786.db2.gz HIDXMVABGMHAMU-SFHVURJKSA-N 0 3 395.503 3.062 20 30 GGEDHN CC(=O)N(C)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000068559117 1409439283 /nfs/dbraw/zinc/43/92/83/1409439283.db2.gz OOSCKDXXUIXDIJ-UHFFFAOYSA-N 0 3 393.491 3.137 20 30 GGEDHN COc1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1OC ZINC000068991264 1409538075 /nfs/dbraw/zinc/53/80/75/1409538075.db2.gz QXDZYZWALNPPEK-KRWDZBQOSA-N 0 3 399.466 3.482 20 30 GGEDHN COc1cc(OC)c(OC)cc1CN[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068991425 1409538564 /nfs/dbraw/zinc/53/85/64/1409538564.db2.gz RGWISPHBEVEKCX-QGZVFWFLSA-N 0 3 399.466 3.482 20 30 GGEDHN C=C(Br)CNC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC000069119555 1409571018 /nfs/dbraw/zinc/57/10/18/1409571018.db2.gz YPUBKBSLIOMSGP-MRXNPFEDSA-N 0 3 382.302 3.040 20 30 GGEDHN COc1ccc(C[C@H](N[C@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787660 1409775351 /nfs/dbraw/zinc/77/53/51/1409775351.db2.gz AQKFLMCSPCTWBF-VGSWGCGISA-N 0 3 395.503 3.338 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000070826429 1409784663 /nfs/dbraw/zinc/78/46/63/1409784663.db2.gz BVSQFEZDAOMKSM-UHFFFAOYSA-N 0 3 385.556 3.071 20 30 GGEDHN N#Cc1nccnc1NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000072082198 1409847009 /nfs/dbraw/zinc/84/70/09/1409847009.db2.gz LNIAQOLILGZPLY-UHFFFAOYSA-N 0 3 384.487 3.283 20 30 GGEDHN COC1CCN(CCNC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000079803816 1409989225 /nfs/dbraw/zinc/98/92/25/1409989225.db2.gz VKTKJGICACCISE-OAHLLOKOSA-N 0 3 376.526 3.313 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000090226839 1410063280 /nfs/dbraw/zinc/06/32/80/1410063280.db2.gz NDAIJPQMRZMTKY-JOCHJYFZSA-N 0 3 376.504 3.317 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(C)cc2cccnc21)C(C)C ZINC000092221786 1410123769 /nfs/dbraw/zinc/12/37/69/1410123769.db2.gz BBEJBTIQAALCRC-HXUWFJFHSA-N 0 3 394.519 3.297 20 30 GGEDHN CN(C)CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1CCCC1 ZINC000092422997 1410155604 /nfs/dbraw/zinc/15/56/04/1410155604.db2.gz GYUYCTSXYUKYSK-UHFFFAOYSA-N 0 3 399.539 3.159 20 30 GGEDHN COc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1OCCCC#N ZINC000093134437 1410225529 /nfs/dbraw/zinc/22/55/29/1410225529.db2.gz FZHGZGRJIHXFAJ-SFHVURJKSA-N 0 3 395.507 3.295 20 30 GGEDHN COCCN1[C@H](C)CN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000093478757 1410248136 /nfs/dbraw/zinc/24/81/36/1410248136.db2.gz KZFSSTMIWLVLAJ-KDURUIRLSA-N 0 3 381.524 3.005 20 30 GGEDHN N#CCCCOc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534368 1410250915 /nfs/dbraw/zinc/25/09/15/1410250915.db2.gz ZPFPIXAOBAGRCM-QGZVFWFLSA-N 0 3 381.436 3.359 20 30 GGEDHN CN(CCC#N)c1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000093534603 1410251784 /nfs/dbraw/zinc/25/17/84/1410251784.db2.gz GMBNIUIMGQIZIG-KRWDZBQOSA-N 0 3 380.452 3.026 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CN(C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000093563532 1410253885 /nfs/dbraw/zinc/25/38/85/1410253885.db2.gz ADJSIQMRJHLHNI-HXUWFJFHSA-N 0 3 378.520 3.231 20 30 GGEDHN C=C(C)COc1cc(CN2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)ccc1OC ZINC000093614450 1410256970 /nfs/dbraw/zinc/25/69/70/1410256970.db2.gz MMBAYTSSVFKIAX-SFTDATJTSA-N 0 3 375.509 3.402 20 30 GGEDHN C=C(C)COc1cc(CN2CCC3(CC2)[C@H](O)C[C@H]3OCC)ccc1OC ZINC000093614451 1410257177 /nfs/dbraw/zinc/25/71/77/1410257177.db2.gz MMBAYTSSVFKIAX-NHCUHLMSSA-N 0 3 375.509 3.402 20 30 GGEDHN CN1CCN(CCCNC(=O)Nc2ccc(F)cc2C#N)[C@H](c2ccccc2)C1 ZINC000097473177 1410370374 /nfs/dbraw/zinc/37/03/74/1410370374.db2.gz HYSKFCOYMGECQS-NRFANRHFSA-N 0 3 395.482 3.198 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000176819443 1428481728 /nfs/dbraw/zinc/48/17/28/1428481728.db2.gz TUFWHOMJZSKBIX-HDICACEKSA-N 0 3 384.524 3.496 20 30 GGEDHN CN(C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccccc1 ZINC000102802789 1410767125 /nfs/dbraw/zinc/76/71/25/1410767125.db2.gz CIAOQGUACOHXRP-MRXNPFEDSA-N 0 3 388.418 3.454 20 30 GGEDHN CCCN(CCC)C(=O)c1cccc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000103330872 1410849508 /nfs/dbraw/zinc/84/95/08/1410849508.db2.gz HQQXGENWCSKJBB-SFHVURJKSA-N 0 3 392.459 3.305 20 30 GGEDHN CCC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103638917 1410870520 /nfs/dbraw/zinc/87/05/20/1410870520.db2.gz FIHLQCGYCRMSBT-AAEUAGOBSA-N 0 3 396.274 3.289 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1Cl ZINC000103638437 1410870526 /nfs/dbraw/zinc/87/05/26/1410870526.db2.gz AOBDUQMHMXWWJX-OAHLLOKOSA-N 0 3 393.834 3.499 20 30 GGEDHN NC(=NOCc1c(F)cccc1Cl)c1ccccc1CN1CCC(O)CC1 ZINC000104054309 1410883191 /nfs/dbraw/zinc/88/31/91/1410883191.db2.gz IBUMXTAJMWYXLJ-UHFFFAOYSA-N 0 3 391.874 3.273 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COc3ccccc3Cl)CC2)c1 ZINC000104963055 1411004721 /nfs/dbraw/zinc/00/47/21/1411004721.db2.gz VIHIZVOZLPVMJN-KRWDZBQOSA-N 0 3 386.879 3.495 20 30 GGEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000105022519 1411016371 /nfs/dbraw/zinc/01/63/71/1411016371.db2.gz SSCRAEPZSUQTSH-UHFFFAOYSA-N 0 3 382.464 3.392 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000105356303 1411058333 /nfs/dbraw/zinc/05/83/33/1411058333.db2.gz NYNLZTKJDNWPCK-IMQYADFFSA-N 0 3 378.419 3.375 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000106035495 1411154117 /nfs/dbraw/zinc/15/41/17/1411154117.db2.gz CBPKBJOOOUUJEJ-UHFFFAOYSA-N 0 3 386.477 3.489 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC1 ZINC000106034101 1411155293 /nfs/dbraw/zinc/15/52/93/1411155293.db2.gz XDLFRHHRIDCEOQ-UHFFFAOYSA-N 0 3 392.503 3.413 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 ZINC000106252910 1411184895 /nfs/dbraw/zinc/18/48/95/1411184895.db2.gz HCIRLBFUTYDCEU-UHFFFAOYSA-N 0 3 380.496 3.053 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1 ZINC000106255146 1411185046 /nfs/dbraw/zinc/18/50/46/1411185046.db2.gz CUOMCJNNCDYVTG-UHFFFAOYSA-N 0 3 398.551 3.152 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OCCC)c(OC)c2)CC1 ZINC000106259687 1411185739 /nfs/dbraw/zinc/18/57/39/1411185739.db2.gz WEICITVZLFTNMG-UHFFFAOYSA-N 0 3 375.513 3.324 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 ZINC000106260958 1411186271 /nfs/dbraw/zinc/18/62/71/1411186271.db2.gz MTCHPSGKJGOQJQ-QGZVFWFLSA-N 0 3 386.540 3.055 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCCc2cn(-c3ccccc3)nc2C)CC1 ZINC000106264849 1411187738 /nfs/dbraw/zinc/18/77/38/1411187738.db2.gz OYFMZBTVQLSOPZ-UHFFFAOYSA-N 0 3 395.551 3.453 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000106275215 1411188842 /nfs/dbraw/zinc/18/88/42/1411188842.db2.gz DEEPTDXAVLHRGF-LJQANCHMSA-N 0 3 377.916 3.463 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CS(=O)(=O)C(C)C)cc2)CC1 ZINC000106324337 1411195318 /nfs/dbraw/zinc/19/53/18/1411195318.db2.gz KFYUXHWREAZUDG-UHFFFAOYSA-N 0 3 393.553 3.172 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335662 1411197210 /nfs/dbraw/zinc/19/72/10/1411197210.db2.gz BLOGWMFXVYWDOS-DLBZAZTESA-N 0 3 398.429 3.022 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000106341203 1411198686 /nfs/dbraw/zinc/19/86/86/1411198686.db2.gz MTVSTGQTBLWVNA-GOSISDBHSA-N 0 3 377.554 3.479 20 30 GGEDHN Cc1ccc(C(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c2ccccc2)cc1 ZINC000106353806 1411202669 /nfs/dbraw/zinc/20/26/69/1411202669.db2.gz JEBCKWSRCVIPSB-UXHICEINSA-N 0 3 391.471 3.090 20 30 GGEDHN CCN1CCN([C@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)CC1 ZINC000106479613 1411224556 /nfs/dbraw/zinc/22/45/56/1411224556.db2.gz IEXXSVCLNAEXCF-HNNXBMFYSA-N 0 3 387.890 3.115 20 30 GGEDHN COCCN1CCC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC1 ZINC000106752585 1411294529 /nfs/dbraw/zinc/29/45/29/1411294529.db2.gz RDLVJIGPKYOXKQ-UHFFFAOYSA-N 0 3 397.450 3.330 20 30 GGEDHN Cc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)c(C)c1 ZINC000106985697 1411333770 /nfs/dbraw/zinc/33/37/70/1411333770.db2.gz QIMUDPAPGFQCNR-KRWDZBQOSA-N 0 3 399.454 3.334 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cccc(OC(F)F)c1 ZINC000107113063 1411342282 /nfs/dbraw/zinc/34/22/82/1411342282.db2.gz KIZJKNPHAQNLRF-UHFFFAOYSA-N 0 3 387.430 3.293 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000107408285 1411374911 /nfs/dbraw/zinc/37/49/11/1411374911.db2.gz LHLJCXWCYJODHG-QLFBSQMISA-N 0 3 383.275 3.349 20 30 GGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000107409361 1411374984 /nfs/dbraw/zinc/37/49/84/1411374984.db2.gz FFZLXRSYPHMFIY-LLVKDONJSA-N 0 3 383.395 3.481 20 30 GGEDHN CCc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000107877672 1411426028 /nfs/dbraw/zinc/42/60/28/1411426028.db2.gz ZUCNTVSVPPLASI-SFHVURJKSA-N 0 3 399.454 3.280 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493019 1411519905 /nfs/dbraw/zinc/51/99/05/1411519905.db2.gz MXRMWHNXEIAHRT-GMAHTHKFSA-N 0 3 398.478 3.077 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC([C@@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493017 1411520318 /nfs/dbraw/zinc/52/03/18/1411520318.db2.gz MXRMWHNXEIAHRT-GGAORHGYSA-N 0 3 398.478 3.077 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1C1CC1 ZINC000177069936 1428576666 /nfs/dbraw/zinc/57/66/66/1428576666.db2.gz YZVWROGUSYPXJU-OXQOHEQNSA-N 0 3 375.472 3.492 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CC1 ZINC000108706334 1411579795 /nfs/dbraw/zinc/57/97/95/1411579795.db2.gz DUNZUTKDSRYENK-UHFFFAOYSA-N 0 3 377.488 3.452 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1C1CC1 ZINC000177076280 1428579991 /nfs/dbraw/zinc/57/99/91/1428579991.db2.gz BSIHSUPWMLTYFQ-OXQOHEQNSA-N 0 3 375.472 3.492 20 30 GGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000109034366 1411667245 /nfs/dbraw/zinc/66/72/45/1411667245.db2.gz MNBJGTMPNDGTPV-INIZCTEOSA-N 0 3 388.537 3.012 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc2ncccc2c1 ZINC000109038652 1411668322 /nfs/dbraw/zinc/66/83/22/1411668322.db2.gz HPMCEUCBKJELDE-SFHVURJKSA-N 0 3 396.410 3.085 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1c(C)nn(C)c1Cl ZINC000109322269 1411740789 /nfs/dbraw/zinc/74/07/89/1411740789.db2.gz QPUSFMRVCNEWNN-UHFFFAOYSA-N 0 3 394.976 3.480 20 30 GGEDHN COc1ccc(C#N)cc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000109554926 1411786117 /nfs/dbraw/zinc/78/61/17/1411786117.db2.gz WPMILUPVEKGDSU-UHFFFAOYSA-N 0 3 378.476 3.350 20 30 GGEDHN C=CCOc1ccc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)cc1 ZINC000109854571 1411814723 /nfs/dbraw/zinc/81/47/23/1411814723.db2.gz BPNABOINNUHWOW-IBGZPJMESA-N 0 3 393.487 3.201 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CN1C1CC1 ZINC000177138412 1428599819 /nfs/dbraw/zinc/59/98/19/1428599819.db2.gz MRPCVSNNBBDUDQ-UZLBHIALSA-N 0 3 375.472 3.492 20 30 GGEDHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000110180976 1411835735 /nfs/dbraw/zinc/83/57/35/1411835735.db2.gz KPGAMHQBKQGHAX-KKXDTOCCSA-N 0 3 389.883 3.346 20 30 GGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000110196295 1411836735 /nfs/dbraw/zinc/83/67/35/1411836735.db2.gz OSPRTGHXRHZXJE-HXUWFJFHSA-N 0 3 391.515 3.493 20 30 GGEDHN C[C@H](CN1CCOCC1)N(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000111054402 1411884629 /nfs/dbraw/zinc/88/46/29/1411884629.db2.gz DSNKZRFKPUZLRC-HXUWFJFHSA-N 0 3 379.504 3.160 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1C1CC1 ZINC000177172400 1428613208 /nfs/dbraw/zinc/61/32/08/1428613208.db2.gz WJUOLDXOTIDXLS-UZLBHIALSA-N 0 3 375.472 3.492 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1 ZINC000111731484 1412019918 /nfs/dbraw/zinc/01/99/18/1412019918.db2.gz CFFHYAYQZSWVFC-QGZVFWFLSA-N 0 3 380.492 3.244 20 30 GGEDHN C[C@@H](CC#N)Sc1ccccc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000111766892 1412027143 /nfs/dbraw/zinc/02/71/43/1412027143.db2.gz OMSNRENJCQRZBC-KRWDZBQOSA-N 0 3 389.569 3.230 20 30 GGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NCCCCN1CCN(C)CC1 ZINC000111766893 1412027446 /nfs/dbraw/zinc/02/74/46/1412027446.db2.gz OMSNRENJCQRZBC-QGZVFWFLSA-N 0 3 389.569 3.230 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 ZINC000112429502 1412145553 /nfs/dbraw/zinc/14/55/53/1412145553.db2.gz KMVQZTADJAZFKE-UHFFFAOYSA-N 0 3 393.553 3.172 20 30 GGEDHN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112483361 1412154457 /nfs/dbraw/zinc/15/44/57/1412154457.db2.gz MLIXBRQCXRBGJJ-HOTGVXAUSA-N 0 3 387.530 3.108 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112483713 1412154519 /nfs/dbraw/zinc/15/45/19/1412154519.db2.gz JDLUIKAIJFUTJQ-QWHCGFSZSA-N 0 3 381.270 3.232 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2ccco2)no1 ZINC000113141198 1412268095 /nfs/dbraw/zinc/26/80/95/1412268095.db2.gz LGTNNQCDZRCJTK-ZDUSSCGKSA-N 0 3 394.387 3.008 20 30 GGEDHN CC[C@@H](C#N)Oc1cc(CNCc2cn(C)nc2-c2cccnc2)ccc1OC ZINC000113348028 1412295905 /nfs/dbraw/zinc/29/59/05/1412295905.db2.gz VIONTYMYWKEHRI-IBGZPJMESA-N 0 3 391.475 3.461 20 30 GGEDHN CC[C@H](C#N)Oc1cc(CNCc2c[nH]nc2-c2cccnc2)ccc1OC ZINC000113348105 1412296478 /nfs/dbraw/zinc/29/64/78/1412296478.db2.gz ZXPCBIICRAZNEY-GOSISDBHSA-N 0 3 377.448 3.451 20 30 GGEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000113646087 1412328624 /nfs/dbraw/zinc/32/86/24/1412328624.db2.gz OOFLXCCEVYQILG-MRXNPFEDSA-N 0 3 388.537 3.012 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113650812 1412330825 /nfs/dbraw/zinc/33/08/25/1412330825.db2.gz OUFROKLNUHCOAJ-SFHVURJKSA-N 0 3 399.454 3.477 20 30 GGEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000113980994 1412363407 /nfs/dbraw/zinc/36/34/07/1412363407.db2.gz OZPDCKSCHSNDHX-TZIWHRDSSA-N 0 3 380.492 3.470 20 30 GGEDHN Cc1sc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c(C#N)c1C ZINC000177242477 1428647735 /nfs/dbraw/zinc/64/77/35/1428647735.db2.gz OKDDEKNAPQTZAU-UHFFFAOYSA-N 0 3 382.533 3.383 20 30 GGEDHN CC(C)n1cnnc1SCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619214 1412478966 /nfs/dbraw/zinc/47/89/66/1412478966.db2.gz GORWCABTUIXIGG-ZDUSSCGKSA-N 0 3 384.490 3.346 20 30 GGEDHN N#CCOc1cccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)c1 ZINC000114790983 1412525702 /nfs/dbraw/zinc/52/57/02/1412525702.db2.gz JHFVLDOVTHUBBC-HXUWFJFHSA-N 0 3 378.476 3.053 20 30 GGEDHN N#C[C@@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000116748522 1412914935 /nfs/dbraw/zinc/91/49/35/1412914935.db2.gz YQXSRVSGWMMJNM-OAQYLSRUSA-N 0 3 380.467 3.109 20 30 GGEDHN Cc1oc(NC(=O)CN2CCCN(Cc3ccccc3C)CC2)c(C#N)c1C ZINC000116758946 1412917344 /nfs/dbraw/zinc/91/73/44/1412917344.db2.gz YXPDOIOAHARFDG-UHFFFAOYSA-N 0 3 380.492 3.223 20 30 GGEDHN Cc1ccc(OC2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000116994286 1412974708 /nfs/dbraw/zinc/97/47/08/1412974708.db2.gz INCYXEAZJYZEJF-FQEVSTJZSA-N 0 3 380.488 3.344 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccccc1F ZINC000117736797 1413073488 /nfs/dbraw/zinc/07/34/88/1413073488.db2.gz KYRVJJZFDKHNFC-UHFFFAOYSA-N 0 3 383.467 3.447 20 30 GGEDHN CCOC(=O)c1ccc(N2CCCN([C@@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000118395535 1413158674 /nfs/dbraw/zinc/15/86/74/1413158674.db2.gz WXJSJIIOYSDACG-KRWDZBQOSA-N 0 3 378.476 3.403 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118481733 1413165239 /nfs/dbraw/zinc/16/52/39/1413165239.db2.gz QKZNZKWQWGMTDL-QGZVFWFLSA-N 0 3 386.323 3.367 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CC1 ZINC000118889514 1413260970 /nfs/dbraw/zinc/26/09/70/1413260970.db2.gz ABZIBXHNKPIGEX-UHFFFAOYSA-N 0 3 394.541 3.000 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2cccc(C)c2)cc1 ZINC000119346832 1413419260 /nfs/dbraw/zinc/41/92/60/1413419260.db2.gz KNIOZRRBHXTJFT-FQEVSTJZSA-N 0 3 380.444 3.188 20 30 GGEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000119648121 1413514949 /nfs/dbraw/zinc/51/49/49/1413514949.db2.gz QTKANJHMWZIPPN-QGZVFWFLSA-N 0 3 378.428 3.473 20 30 GGEDHN CCc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1Cl ZINC000119771767 1413563436 /nfs/dbraw/zinc/56/34/36/1413563436.db2.gz HXYZIMCOGSRWIS-CQSZACIVSA-N 0 3 393.834 3.444 20 30 GGEDHN N#CC(C(=O)Cn1c2ccccc2nc1SC(F)F)C(=O)NC1CCCC1 ZINC000119785705 1413568425 /nfs/dbraw/zinc/56/84/25/1413568425.db2.gz IIXAMEDXIGUEMR-LBPRGKRZSA-N 0 3 392.431 3.119 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000119910721 1413613838 /nfs/dbraw/zinc/61/38/38/1413613838.db2.gz OHPXOCWRWMURMH-INIZCTEOSA-N 0 3 392.390 3.371 20 30 GGEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120041659 1413665321 /nfs/dbraw/zinc/66/53/21/1413665321.db2.gz IVMJTSJQTBDXBK-WPRPVWTQSA-N 0 3 377.882 3.435 20 30 GGEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000120174082 1413717623 /nfs/dbraw/zinc/71/76/23/1413717623.db2.gz QJKAUNZGYGLKMX-FQEVSTJZSA-N 0 3 399.922 3.301 20 30 GGEDHN C[C@@H](N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000120293126 1413771312 /nfs/dbraw/zinc/77/13/12/1413771312.db2.gz YPADUAKILRKZTI-HZPDHXFCSA-N 0 3 397.523 3.352 20 30 GGEDHN COc1ccc(C(F)(F)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000120317431 1413783090 /nfs/dbraw/zinc/78/30/90/1413783090.db2.gz JWNPZKHXQCDIHL-UHFFFAOYSA-N 0 3 387.430 3.249 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000120415403 1413812734 /nfs/dbraw/zinc/81/27/34/1413812734.db2.gz RYUUFZNFDUPVCI-FQEVSTJZSA-N 0 3 399.466 3.306 20 30 GGEDHN CCO[C@@H]1C[C@@H](N(C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000120600675 1413852103 /nfs/dbraw/zinc/85/21/03/1413852103.db2.gz MNPYLFPMUXOTSS-ATZDWAIDSA-N 0 3 378.476 3.359 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000177492845 1428767379 /nfs/dbraw/zinc/76/73/79/1428767379.db2.gz HRMOOKZAKSXWSB-DXPJPUQTSA-N 0 3 377.554 3.167 20 30 GGEDHN Cc1ccc2c(c1)[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CO2 ZINC000121026165 1413981011 /nfs/dbraw/zinc/98/10/11/1413981011.db2.gz YPZNSBOXYWGDIP-HXUWFJFHSA-N 0 3 378.476 3.074 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000121178531 1414035268 /nfs/dbraw/zinc/03/52/68/1414035268.db2.gz AEQBKNYQPBFNCR-JOCHJYFZSA-N 0 3 385.552 3.499 20 30 GGEDHN C=CCN(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000121206238 1414043759 /nfs/dbraw/zinc/04/37/59/1414043759.db2.gz ZLMPREMTRZGXCT-UHFFFAOYSA-N 0 3 378.520 3.065 20 30 GGEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000121261591 1414063224 /nfs/dbraw/zinc/06/32/24/1414063224.db2.gz RFCUIZRWCBWMNF-UHFFFAOYSA-N 0 3 390.915 3.121 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)COC/C=C/c1ccccc1 ZINC000121559824 1414177672 /nfs/dbraw/zinc/17/76/72/1414177672.db2.gz PNHOUMONHNKSAX-MZEUMTGBSA-N 0 3 378.428 3.463 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000121748625 1414244617 /nfs/dbraw/zinc/24/46/17/1414244617.db2.gz NQIDZTWWCRSWHU-CQSZACIVSA-N 0 3 381.413 3.302 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000122121954 1414367942 /nfs/dbraw/zinc/36/79/42/1414367942.db2.gz JPFCXLJFZMUQJD-JTQLQIEISA-N 0 3 378.613 3.459 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccc(C)c(C)c2)cc1 ZINC000177604671 1428808599 /nfs/dbraw/zinc/80/85/99/1428808599.db2.gz ITDGNBHJKPAJJU-NRFANRHFSA-N 0 3 394.471 3.496 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccc(C)c(C)c2)cc1 ZINC000177604662 1428808633 /nfs/dbraw/zinc/80/86/33/1428808633.db2.gz ITDGNBHJKPAJJU-OAQYLSRUSA-N 0 3 394.471 3.496 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000122514137 1414487117 /nfs/dbraw/zinc/48/71/17/1414487117.db2.gz YWYLRAGIDWFFPY-GOSISDBHSA-N 0 3 392.503 3.495 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000122514358 1414487713 /nfs/dbraw/zinc/48/77/13/1414487713.db2.gz YWYLRAGIDWFFPY-SFHVURJKSA-N 0 3 392.503 3.495 20 30 GGEDHN C#CCN1CCC(C(=O)NCC2(C(=O)Nc3ccc(C)c(C)c3)CCCC2)CC1 ZINC000177623833 1428814062 /nfs/dbraw/zinc/81/40/62/1428814062.db2.gz OIOJAFXEASGRDB-UHFFFAOYSA-N 0 3 395.547 3.264 20 30 GGEDHN N#Cc1ccc(CN2CCCN(Cc3cccc4c3OCCCO4)CC2)cc1 ZINC000122801792 1414568608 /nfs/dbraw/zinc/56/86/08/1414568608.db2.gz BQIYJXHBXNIPEF-UHFFFAOYSA-N 0 3 377.488 3.427 20 30 GGEDHN COCOc1ccc(OC)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122831137 1414575955 /nfs/dbraw/zinc/57/59/55/1414575955.db2.gz GZJCDZOCPUJGAF-UHFFFAOYSA-N 0 3 395.503 3.257 20 30 GGEDHN N#Cc1cc(F)c(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c(F)c1 ZINC000123041569 1414625545 /nfs/dbraw/zinc/62/55/45/1414625545.db2.gz SIVTZXMCXUHBCG-UHFFFAOYSA-N 0 3 398.457 3.169 20 30 GGEDHN CN(CCC#N)c1ccc(CN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000123078637 1414635731 /nfs/dbraw/zinc/63/57/31/1414635731.db2.gz XJZXDOMFWDJUNV-UHFFFAOYSA-N 0 3 376.504 3.431 20 30 GGEDHN N#Cc1ccc([C@@H](O)CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000123082204 1414636566 /nfs/dbraw/zinc/63/65/66/1414636566.db2.gz YTYWDYNRFZHRKQ-FQEVSTJZSA-N 0 3 382.439 3.017 20 30 GGEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177665866 1428827466 /nfs/dbraw/zinc/82/74/66/1428827466.db2.gz RFPVEMOVISVPRK-AWEZNQCLSA-N 0 3 389.443 3.072 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000123267887 1414682836 /nfs/dbraw/zinc/68/28/36/1414682836.db2.gz DFAJDYFOBHOMBO-FQEVSTJZSA-N 0 3 380.467 3.461 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCN(c3ccccc3F)C2=O)cc1 ZINC000123267613 1414683114 /nfs/dbraw/zinc/68/31/14/1414683114.db2.gz DFAJDYFOBHOMBO-HXUWFJFHSA-N 0 3 380.467 3.461 20 30 GGEDHN C=CCc1cc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000123682737 1414809355 /nfs/dbraw/zinc/80/93/55/1414809355.db2.gz CAWKGNPUMMFGFW-IRXDYDNUSA-N 0 3 390.524 3.052 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H](C)c2cccc(S(N)(=O)=O)c2)c([O-])c1 ZINC000123933321 1414852257 /nfs/dbraw/zinc/85/22/57/1414852257.db2.gz DDVIFEQISIUMMX-CNRHGSOZSA-N 0 3 375.494 3.066 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCc1nc(C2CC2)no1 ZINC000124051546 1414876323 /nfs/dbraw/zinc/87/63/23/1414876323.db2.gz SSXUTZNFJPGJEE-AWEZNQCLSA-N 0 3 382.420 3.016 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2ccoc2)no1 ZINC000124052002 1414876437 /nfs/dbraw/zinc/87/64/37/1414876437.db2.gz BTAJDBYEJMDLLR-AWEZNQCLSA-N 0 3 394.387 3.008 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000124344888 1414945218 /nfs/dbraw/zinc/94/52/18/1414945218.db2.gz ORRUUBGUPIYKJY-DGCLKSJQSA-N 0 3 387.263 3.012 20 30 GGEDHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1)C2=O ZINC000177767453 1428853695 /nfs/dbraw/zinc/85/36/95/1428853695.db2.gz QCPQQZNUVJFDJN-DOMZBBRYSA-N 0 3 381.457 3.436 20 30 GGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)[C@@H]1CCSC1 ZINC000124726461 1415030229 /nfs/dbraw/zinc/03/02/29/1415030229.db2.gz JCLPVJBKRNUCJT-CVEARBPZSA-N 0 3 382.514 3.295 20 30 GGEDHN CNS(=O)(=O)c1cccc([C@H](C)NCCSCc2ccccc2C#N)c1 ZINC000177822239 1428865262 /nfs/dbraw/zinc/86/52/62/1428865262.db2.gz PAMVHPOVFQSFAE-HNNXBMFYSA-N 0 3 389.546 3.050 20 30 GGEDHN CN1CCN(CCCNC(=O)Nc2ccc(CC#N)cc2)[C@H](c2ccccc2)C1 ZINC000125286761 1415153226 /nfs/dbraw/zinc/15/32/26/1415153226.db2.gz BDORRROVACIZIH-QFIPXVFZSA-N 0 3 391.519 3.253 20 30 GGEDHN CCN1CCN(CCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000177850015 1428872665 /nfs/dbraw/zinc/87/26/65/1428872665.db2.gz SQBFRXJVUZQSSK-UHFFFAOYSA-N 0 3 394.544 3.077 20 30 GGEDHN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000125488034 1415212707 /nfs/dbraw/zinc/21/27/07/1415212707.db2.gz VVKYNRPWFMMJHT-GJZGRUSLSA-N 0 3 382.512 3.269 20 30 GGEDHN CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000125487517 1415212919 /nfs/dbraw/zinc/21/29/19/1415212919.db2.gz VVKYNRPWFMMJHT-HUUCEWRRSA-N 0 3 382.512 3.269 20 30 GGEDHN Cc1cc(-c2noc(CCC(=O)C(C#N)C(=O)Nc3ccccc3)n2)ccc1F ZINC000125528132 1415220686 /nfs/dbraw/zinc/22/06/86/1415220686.db2.gz PJNNAYKOTPGJHI-MRXNPFEDSA-N 0 3 392.390 3.464 20 30 GGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000126051310 1415345571 /nfs/dbraw/zinc/34/55/71/1415345571.db2.gz HFZZPFCJLXJIGN-UTKZUKDTSA-N 0 3 396.466 3.264 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000126612282 1415506949 /nfs/dbraw/zinc/50/69/49/1415506949.db2.gz YGPZLRLXKVNCCY-OAQYLSRUSA-N 0 3 392.503 3.389 20 30 GGEDHN Cc1oc(-c2cccs2)nc1CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126887867 1415596311 /nfs/dbraw/zinc/59/63/11/1415596311.db2.gz CUODEWAPDLQUIY-HNNXBMFYSA-N 0 3 379.441 3.279 20 30 GGEDHN N#CC(C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 ZINC000126895262 1415597765 /nfs/dbraw/zinc/59/77/65/1415597765.db2.gz LUXGKKZZHJFLRO-CQSZACIVSA-N 0 3 377.227 3.397 20 30 GGEDHN N#CC(C(=O)Cc1csc(Cc2ccccc2)n1)C(=O)NCc1ccccc1 ZINC000126966544 1415620335 /nfs/dbraw/zinc/62/03/35/1415620335.db2.gz VXYBSCNPKCQIJG-IBGZPJMESA-N 0 3 389.480 3.302 20 30 GGEDHN COC1CCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000127074492 1415655303 /nfs/dbraw/zinc/65/53/03/1415655303.db2.gz MIEWMZNTCGBQQV-UHFFFAOYSA-N 0 3 393.487 3.500 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000127149048 1415672421 /nfs/dbraw/zinc/67/24/21/1415672421.db2.gz FPADAPDUJLXWIP-OAHLLOKOSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCc2nc(C(C)(C)C)no2)c1 ZINC000127183432 1415680387 /nfs/dbraw/zinc/68/03/87/1415680387.db2.gz OPFHYEZPKRZVNA-HNNXBMFYSA-N 0 3 384.436 3.046 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCc2nc(C(C)(C)C)no2)c1 ZINC000127183198 1415680547 /nfs/dbraw/zinc/68/05/47/1415680547.db2.gz OPFHYEZPKRZVNA-OAHLLOKOSA-N 0 3 384.436 3.046 20 30 GGEDHN C[C@H]1CN(CCC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000127237348 1415698577 /nfs/dbraw/zinc/69/85/77/1415698577.db2.gz QQOVWHJESMKSGN-GJZGRUSLSA-N 0 3 391.462 3.188 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1Cc2ccccc2C1 ZINC000127295816 1415723908 /nfs/dbraw/zinc/72/39/08/1415723908.db2.gz PKIJIANAICZFED-UHFFFAOYSA-N 0 3 390.531 3.437 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000178115007 1428988230 /nfs/dbraw/zinc/98/82/30/1428988230.db2.gz QGHVLFQOWZKZKB-KRWDZBQOSA-N 0 3 393.572 3.426 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000178115017 1428988386 /nfs/dbraw/zinc/98/83/86/1428988386.db2.gz QGHVLFQOWZKZKB-QGZVFWFLSA-N 0 3 393.572 3.426 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(Br)cc2)c1 ZINC000127495809 1415801277 /nfs/dbraw/zinc/80/12/77/1415801277.db2.gz PDPFVILSJWQAFI-MRXNPFEDSA-N 0 3 387.233 3.484 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccc(F)cc2F)c1 ZINC000127580481 1415813714 /nfs/dbraw/zinc/81/37/14/1415813714.db2.gz FGWMKAJRCAMTLR-QGZVFWFLSA-N 0 3 399.397 3.131 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000127706549 1415836647 /nfs/dbraw/zinc/83/66/47/1415836647.db2.gz OGDBDYLPDSVJGQ-GOSISDBHSA-N 0 3 380.404 3.443 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000127725146 1415839585 /nfs/dbraw/zinc/83/95/85/1415839585.db2.gz JINMLAXGGDBOEJ-AEFFLSMTSA-N 0 3 375.428 3.234 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000127725568 1415839621 /nfs/dbraw/zinc/83/96/21/1415839621.db2.gz JINMLAXGGDBOEJ-WMZOPIPTSA-N 0 3 375.428 3.234 20 30 GGEDHN C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2OC)N2CCCC2)nc1 ZINC000178229301 1429024226 /nfs/dbraw/zinc/02/42/26/1429024226.db2.gz OUXFLZOIDSCTPA-LJQANCHMSA-N 0 3 380.492 3.255 20 30 GGEDHN [O-]c1ccc(Br)cc1/C=N/C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000128480090 1415996875 /nfs/dbraw/zinc/99/68/75/1415996875.db2.gz FGTAVAMEHNZQIK-URFUOSOHSA-N 0 3 381.314 3.342 20 30 GGEDHN C[C@H]1CN(CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000178257707 1429035855 /nfs/dbraw/zinc/03/58/55/1429035855.db2.gz HBJUMDXCCBYODN-OALUTQOASA-N 0 3 383.536 3.229 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)NC2CCCCC2)cc1 ZINC000128511761 1416003507 /nfs/dbraw/zinc/00/35/07/1416003507.db2.gz PVZGDFWRNQMJDB-IBGZPJMESA-N 0 3 398.507 3.308 20 30 GGEDHN C=CCC(CC=C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000128686270 1416042741 /nfs/dbraw/zinc/04/27/41/1416042741.db2.gz KTPFKFJUBSYWHE-FQEVSTJZSA-N 0 3 382.552 3.211 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000128764050 1416062592 /nfs/dbraw/zinc/06/25/92/1416062592.db2.gz CZRUJNLVVMSNQI-UHFFFAOYSA-N 0 3 379.435 3.064 20 30 GGEDHN N#CC(C(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000128809601 1416074261 /nfs/dbraw/zinc/07/42/61/1416074261.db2.gz XJWSBWCKXFGWIO-GOSISDBHSA-N 0 3 389.367 3.474 20 30 GGEDHN C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128822750 1416077838 /nfs/dbraw/zinc/07/78/38/1416077838.db2.gz YWVWSKBUXVBAFR-DGCLKSJQSA-N 0 3 382.470 3.261 20 30 GGEDHN C[C@@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128823200 1416077960 /nfs/dbraw/zinc/07/79/60/1416077960.db2.gz YWVWSKBUXVBAFR-YPMHNXCESA-N 0 3 382.470 3.261 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000128832162 1416080080 /nfs/dbraw/zinc/08/00/80/1416080080.db2.gz SLGVUGAORPXCSZ-SFHVURJKSA-N 0 3 381.395 3.382 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cn(-c2ccccc2)nn1 ZINC000128832162 1416080089 /nfs/dbraw/zinc/08/00/89/1416080089.db2.gz SLGVUGAORPXCSZ-SFHVURJKSA-N 0 3 381.395 3.382 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)=C([O-])c1cn(-c2ccccc2)nn1 ZINC000128831971 1416080301 /nfs/dbraw/zinc/08/03/01/1416080301.db2.gz SLGVUGAORPXCSZ-GOSISDBHSA-N 0 3 381.395 3.382 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cn(-c2ccccc2)nn1 ZINC000128831971 1416080309 /nfs/dbraw/zinc/08/03/09/1416080309.db2.gz SLGVUGAORPXCSZ-GOSISDBHSA-N 0 3 381.395 3.382 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)COc1ccc2c(c1)CCC2 ZINC000128928593 1416105656 /nfs/dbraw/zinc/10/56/56/1416105656.db2.gz RPFBPTDLQTZUNN-SFHVURJKSA-N 0 3 378.428 3.300 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000128978884 1416118139 /nfs/dbraw/zinc/11/81/39/1416118139.db2.gz TUNBQFQHBHVMOI-LBPRGKRZSA-N 0 3 377.322 3.460 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1c(Cl)nc2ccccn21 ZINC000128992503 1416121683 /nfs/dbraw/zinc/12/16/83/1416121683.db2.gz UEEGIHKQSKPTAU-LBPRGKRZSA-N 0 3 382.807 3.348 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000129035203 1416130372 /nfs/dbraw/zinc/13/03/72/1416130372.db2.gz KKFSHSYGVKRNPS-CQSZACIVSA-N 0 3 392.390 3.371 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000129035002 1416130749 /nfs/dbraw/zinc/13/07/49/1416130749.db2.gz KKFSHSYGVKRNPS-AWEZNQCLSA-N 0 3 392.390 3.371 20 30 GGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000129063382 1416136381 /nfs/dbraw/zinc/13/63/81/1416136381.db2.gz SHYVVMGJPRJAQI-GOSISDBHSA-N 0 3 377.488 3.449 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000178383837 1429066311 /nfs/dbraw/zinc/06/63/11/1429066311.db2.gz MBTNCBZQUIJEAW-RTWAWAEBSA-N 0 3 379.508 3.061 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000129109575 1416146999 /nfs/dbraw/zinc/14/69/99/1416146999.db2.gz WZGDPHOBLQINRQ-NHCUHLMSSA-N 0 3 389.515 3.464 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000129109127 1416147131 /nfs/dbraw/zinc/14/71/31/1416147131.db2.gz WZGDPHOBLQINRQ-RTWAWAEBSA-N 0 3 389.515 3.464 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCCc2sccc2C)cc1 ZINC000129473738 1416215015 /nfs/dbraw/zinc/21/50/15/1416215015.db2.gz QKORBHQATFFBRP-GOSISDBHSA-N 0 3 384.501 3.456 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000178455436 1429081357 /nfs/dbraw/zinc/08/13/57/1429081357.db2.gz QDJOCHAPBJDPJV-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000129866892 1416276457 /nfs/dbraw/zinc/27/64/57/1416276457.db2.gz XRLNXWGGYYGXLN-TZMCWYRMSA-N 0 3 388.370 3.478 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000129883493 1416279164 /nfs/dbraw/zinc/27/91/64/1416279164.db2.gz WJSUBNYMDNBJAA-ZDUSSCGKSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2cccs2)no1 ZINC000129885665 1416280062 /nfs/dbraw/zinc/28/00/62/1416280062.db2.gz OXIAWXHUAFOCAH-LBPRGKRZSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1ccc(F)c(F)c1 ZINC000129938506 1416288217 /nfs/dbraw/zinc/28/82/17/1416288217.db2.gz UPIYZTRBDUGIQC-GFCCVEGCSA-N 0 3 376.384 3.413 20 30 GGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000129967912 1416292599 /nfs/dbraw/zinc/29/25/99/1416292599.db2.gz GYTQAOVRVLLSMN-KRWDZBQOSA-N 0 3 393.487 3.169 20 30 GGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000129968140 1416292783 /nfs/dbraw/zinc/29/27/83/1416292783.db2.gz GYTQAOVRVLLSMN-QGZVFWFLSA-N 0 3 393.487 3.169 20 30 GGEDHN CN(C)Cc1cccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 ZINC000130106110 1416319249 /nfs/dbraw/zinc/31/92/49/1416319249.db2.gz YQEFWLDGOIAJIG-UHFFFAOYSA-N 0 3 380.448 3.008 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(Cc2ccccc2)nn1 ZINC000130188413 1416335604 /nfs/dbraw/zinc/33/56/04/1416335604.db2.gz LQUZBJPGLAVWCY-CQSZACIVSA-N 0 3 397.797 3.080 20 30 GGEDHN N#CC(C(=O)COCCOc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130250904 1416346647 /nfs/dbraw/zinc/34/66/47/1416346647.db2.gz QRARMPJSRHHOTC-OAHLLOKOSA-N 0 3 390.798 3.222 20 30 GGEDHN CCOC(=O)COc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000130522745 1416393637 /nfs/dbraw/zinc/39/36/37/1416393637.db2.gz YWZVGPOMSUYLNU-UHFFFAOYSA-N 0 3 393.487 3.212 20 30 GGEDHN COc1ccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)N2CCCC2)cc1 ZINC000130699884 1416428255 /nfs/dbraw/zinc/42/82/55/1416428255.db2.gz XAQSQJPKWVQXRG-QFIPXVFZSA-N 0 3 393.487 3.093 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000178537839 1429101172 /nfs/dbraw/zinc/10/11/72/1429101172.db2.gz XOCPVXUBFXFGLW-FQEVSTJZSA-N 0 3 399.535 3.288 20 30 GGEDHN CCN1CCN(Cc2ccc(CNC(=O)Nc3cccc(C#N)c3C)cc2)CC1 ZINC000178547683 1429103823 /nfs/dbraw/zinc/10/38/23/1429103823.db2.gz NTNCNZLHEMOZOW-UHFFFAOYSA-N 0 3 391.519 3.326 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1ncn(-c2ccccc2)n1 ZINC000131213849 1416524449 /nfs/dbraw/zinc/52/44/49/1416524449.db2.gz MUDCFYLQHZTKCJ-GOSISDBHSA-N 0 3 381.395 3.382 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000131227948 1416526743 /nfs/dbraw/zinc/52/67/43/1416526743.db2.gz YDECFKWQKNLMCT-WOJBJXKFSA-N 0 3 393.535 3.318 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](Cc3nccn3C)C2)cc1C ZINC000131292915 1416535807 /nfs/dbraw/zinc/53/58/07/1416535807.db2.gz PAACQKJSFURRIZ-FQEVSTJZSA-N 0 3 393.535 3.238 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000131764348 1416615237 /nfs/dbraw/zinc/61/52/37/1416615237.db2.gz AMPNNNQDOKGFJK-AWEZNQCLSA-N 0 3 376.384 3.413 20 30 GGEDHN CCCN(CCC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178593552 1429116013 /nfs/dbraw/zinc/11/60/13/1429116013.db2.gz AVQYCSRRXOEMJM-KRWDZBQOSA-N 0 3 386.540 3.478 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CCN(C)Cc2cccnc2)c1C#N ZINC000132573818 1416787141 /nfs/dbraw/zinc/78/71/41/1416787141.db2.gz HCFMWSANEJNQHX-UHFFFAOYSA-N 0 3 391.475 3.474 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnc(-c2ccccc2)nc1C ZINC000132621821 1416795477 /nfs/dbraw/zinc/79/54/77/1416795477.db2.gz VUJVHIZKPYYEAU-INIZCTEOSA-N 0 3 386.411 3.422 20 30 GGEDHN Cc1cc(F)ccc1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000132678096 1416802777 /nfs/dbraw/zinc/80/27/77/1416802777.db2.gz YEVMRYZORXQEAV-UHFFFAOYSA-N 0 3 382.483 3.322 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC000132803051 1416816723 /nfs/dbraw/zinc/81/67/23/1416816723.db2.gz URIIIMAQWARHTK-GOSISDBHSA-N 0 3 386.411 3.422 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3)nc2C)cc1 ZINC000132803278 1416816857 /nfs/dbraw/zinc/81/68/57/1416816857.db2.gz URIIIMAQWARHTK-SFHVURJKSA-N 0 3 386.411 3.422 20 30 GGEDHN CN(C)[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000133297036 1416875876 /nfs/dbraw/zinc/87/58/76/1416875876.db2.gz NXWIUZUYFIGFAJ-FQEVSTJZSA-N 0 3 378.476 3.086 20 30 GGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000133401585 1416886355 /nfs/dbraw/zinc/88/63/55/1416886355.db2.gz LWNOZMNGPIQIDR-ZDUSSCGKSA-N 0 3 386.864 3.176 20 30 GGEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(C)C ZINC000178702314 1429145528 /nfs/dbraw/zinc/14/55/28/1429145528.db2.gz CVVAZLRKBSNVIX-KRWDZBQOSA-N 0 3 386.540 3.334 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000178711708 1429149186 /nfs/dbraw/zinc/14/91/86/1429149186.db2.gz MLABEDQJGALRQR-VQTJNVASSA-N 0 3 375.488 3.074 20 30 GGEDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134170547 1417032931 /nfs/dbraw/zinc/03/29/31/1417032931.db2.gz STAMQIPYXFEJNP-IBGZPJMESA-N 0 3 377.510 3.149 20 30 GGEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCCc2ccccc2)cc1 ZINC000134183554 1417034721 /nfs/dbraw/zinc/03/47/21/1417034721.db2.gz IBRRXBMMJJYHGY-IBGZPJMESA-N 0 3 377.444 3.059 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCC(=O)Nc1sccc1C#N ZINC000134639678 1417103099 /nfs/dbraw/zinc/10/30/99/1417103099.db2.gz MMKRTUMMXHZFJN-UKRRQHHQSA-N 0 3 392.525 3.326 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134929846 1417147244 /nfs/dbraw/zinc/14/72/44/1417147244.db2.gz BAEIUCJEVWWBAG-LAUBAEHRSA-N 0 3 393.535 3.125 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(C2CCCC2)no1 ZINC000134976452 1417154931 /nfs/dbraw/zinc/15/49/31/1417154931.db2.gz WZXOZGKXCCTDRU-CQSZACIVSA-N 0 3 382.420 3.016 20 30 GGEDHN N#CC(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 ZINC000134997328 1417158471 /nfs/dbraw/zinc/15/84/71/1417158471.db2.gz VCRJCMHXZRTTJZ-HNNXBMFYSA-N 0 3 386.839 3.090 20 30 GGEDHN N#CC(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccn1 ZINC000135018089 1417162553 /nfs/dbraw/zinc/16/25/53/1417162553.db2.gz GNBZBMJCXQLGKK-CQSZACIVSA-N 0 3 395.806 3.065 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135249792 1417196667 /nfs/dbraw/zinc/19/66/67/1417196667.db2.gz LKWWQQRLPAKFMA-UHFFFAOYSA-N 0 3 395.438 3.195 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000136405048 1417314569 /nfs/dbraw/zinc/31/45/69/1417314569.db2.gz YDNPFGIMYAPQHY-KRWDZBQOSA-N 0 3 389.883 3.325 20 30 GGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1CCC(C)C ZINC000137387307 1417383305 /nfs/dbraw/zinc/38/33/05/1417383305.db2.gz AXWWHXQPVWGZLK-UHFFFAOYSA-N 0 3 381.524 3.313 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138715312 1417435638 /nfs/dbraw/zinc/43/56/38/1417435638.db2.gz DDASIIPONRONFN-HNNXBMFYSA-N 0 3 392.390 3.371 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2sc(CC)nc2C)cc1 ZINC000140371426 1417500657 /nfs/dbraw/zinc/50/06/57/1417500657.db2.gz SIJNNUMUSOLVDY-AWEZNQCLSA-N 0 3 385.445 3.152 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)c2sc(CC)nc2C)cc1 ZINC000140371250 1417500687 /nfs/dbraw/zinc/50/06/87/1417500687.db2.gz SIJNNUMUSOLVDY-CQSZACIVSA-N 0 3 385.445 3.152 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000143031550 1417608167 /nfs/dbraw/zinc/60/81/67/1417608167.db2.gz DXMFZBCGFWBXIT-KRWDZBQOSA-N 0 3 387.480 3.431 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(Br)ccc2N2CCCC2)CC1 ZINC000150759016 1417801174 /nfs/dbraw/zinc/80/11/74/1417801174.db2.gz RLNMORLADJVHQD-UHFFFAOYSA-N 0 3 390.325 3.333 20 30 GGEDHN C=CCCCCCN(C)[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000150875159 1417825863 /nfs/dbraw/zinc/82/58/63/1417825863.db2.gz SDDBKPDNPBKIPW-SFHVURJKSA-N 0 3 384.524 3.490 20 30 GGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)COc2c(C)nn(C)c2C)cc1 ZINC000151192351 1417891138 /nfs/dbraw/zinc/89/11/38/1417891138.db2.gz YIDLTKOUDQECHH-GOSISDBHSA-N 0 3 382.464 3.106 20 30 GGEDHN C=C(C)COc1cc(CNc2cc(C(N)=O)ccc2CN(C)C)ccc1OC ZINC000151214602 1417895122 /nfs/dbraw/zinc/89/51/22/1417895122.db2.gz RVNXEMRPMJSLLF-UHFFFAOYSA-N 0 3 383.492 3.423 20 30 GGEDHN N#Cc1cc(F)c(C(=O)NCC2(N3CCSCC3)CCCCC2)c(F)c1 ZINC000151296078 1417918999 /nfs/dbraw/zinc/91/89/99/1417918999.db2.gz XXUVPTRJFFRZGG-UHFFFAOYSA-N 0 3 379.476 3.318 20 30 GGEDHN C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000151311037 1417923372 /nfs/dbraw/zinc/92/33/72/1417923372.db2.gz DOGQVUCDSHDSRO-OAHLLOKOSA-N 0 3 388.541 3.150 20 30 GGEDHN CN(C)CCN(Cc1ccccc1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151344206 1417931114 /nfs/dbraw/zinc/93/11/14/1417931114.db2.gz CXGSLLGIBUQNPC-UHFFFAOYSA-N 0 3 392.503 3.257 20 30 GGEDHN C[C@@H](NCc1cccc(C#N)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000151393103 1417946590 /nfs/dbraw/zinc/94/65/90/1417946590.db2.gz LFRCBEZSBXUGCI-MRXNPFEDSA-N 0 3 395.484 3.481 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)CC1 ZINC000151485324 1417997926 /nfs/dbraw/zinc/99/79/26/1417997926.db2.gz DOJJOSBWDMBDQI-HXUWFJFHSA-N 0 3 384.520 3.050 20 30 GGEDHN CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000151808068 1418092108 /nfs/dbraw/zinc/09/21/08/1418092108.db2.gz FAEJMTAHMFHGBK-LJQANCHMSA-N 0 3 382.508 3.265 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000178982753 1429233785 /nfs/dbraw/zinc/23/37/85/1429233785.db2.gz CQWDBGFHYRIYOH-UHFFFAOYSA-N 0 3 376.435 3.450 20 30 GGEDHN N#CC(C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccccn1 ZINC000152265454 1418189146 /nfs/dbraw/zinc/18/91/46/1418189146.db2.gz UQPDQEWNEJODNM-INIZCTEOSA-N 0 3 393.830 3.466 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1cccnc1)c1nc2ccccc2n1C(F)F ZINC000179115039 1429267728 /nfs/dbraw/zinc/26/77/28/1429267728.db2.gz LGYJWZUGEKRHJN-AWEZNQCLSA-N 0 3 397.385 3.213 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000179171960 1429284974 /nfs/dbraw/zinc/28/49/74/1429284974.db2.gz VPRMYQOHIDKYPF-GOSISDBHSA-N 0 3 395.450 3.021 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2ccc(F)cc2c1 ZINC000179174326 1429285832 /nfs/dbraw/zinc/28/58/32/1429285832.db2.gz XVQOMYZMXWIMJG-UHFFFAOYSA-N 0 3 376.435 3.450 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000179307607 1429323524 /nfs/dbraw/zinc/32/35/24/1429323524.db2.gz MAZKYIXAFJETPZ-NRFANRHFSA-N 0 3 380.492 3.129 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000179340713 1429335445 /nfs/dbraw/zinc/33/54/45/1429335445.db2.gz BGYFWAQRTKQADJ-OAHLLOKOSA-N 0 3 380.895 3.007 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456253 1429383088 /nfs/dbraw/zinc/38/30/88/1429383088.db2.gz WFYYKQCDLOAWKZ-CQSZACIVSA-N 0 3 381.270 3.015 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456191 1429383277 /nfs/dbraw/zinc/38/32/77/1429383277.db2.gz BEUQVVVDBAEKKB-HNNXBMFYSA-N 0 3 395.297 3.406 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496605 1429394904 /nfs/dbraw/zinc/39/49/04/1429394904.db2.gz MESJCGUKBCIKJA-RBUKOAKNSA-N 0 3 382.508 3.030 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccnc(OCC(F)F)c1 ZINC000179611044 1429470206 /nfs/dbraw/zinc/47/02/06/1429470206.db2.gz OFQXZHCCNSWFCK-CYBMUJFWSA-N 0 3 379.750 3.340 20 30 GGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000179671256 1429500158 /nfs/dbraw/zinc/50/01/58/1429500158.db2.gz IGMVGKWGLUHBNN-UYAOXDASSA-N 0 3 396.560 3.425 20 30 GGEDHN Cc1ccc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179666375 1429497822 /nfs/dbraw/zinc/49/78/22/1429497822.db2.gz LGPFABZPCKYKLB-HKUYNNGSSA-N 0 3 382.533 3.116 20 30 GGEDHN Cc1cccc(C(C)(C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000179672751 1429500954 /nfs/dbraw/zinc/50/09/54/1429500954.db2.gz KVLNRISWZXAVNK-LJQANCHMSA-N 0 3 396.560 3.290 20 30 GGEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757194 1429542958 /nfs/dbraw/zinc/54/29/58/1429542958.db2.gz CLEZPUZTEVKVLA-FOIQADDNSA-N 0 3 383.492 3.230 20 30 GGEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753096 1429539901 /nfs/dbraw/zinc/53/99/01/1429539901.db2.gz XVXNFPBUTFZLAV-QKKBWIMNSA-N 0 3 377.444 3.397 20 30 GGEDHN CN(C(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1(C#N)CCCCC1 ZINC000179768494 1429550499 /nfs/dbraw/zinc/55/04/99/1429550499.db2.gz QJYKGUOIWCNTEZ-NRFANRHFSA-N 0 3 383.492 3.183 20 30 GGEDHN N#CCC[C@@H](NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000153243086 1422413183 /nfs/dbraw/zinc/41/31/83/1422413183.db2.gz GRVVBLLLHQKCFZ-JOCHJYFZSA-N 0 3 376.504 3.360 20 30 GGEDHN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153274081 1422432980 /nfs/dbraw/zinc/43/29/80/1422432980.db2.gz WBXMVAAJHJFUTI-OAHLLOKOSA-N 0 3 382.512 3.187 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2c(F)cccc2F)cc1OC ZINC000153325738 1422469709 /nfs/dbraw/zinc/46/97/09/1422469709.db2.gz HDPZGDUCVBZQJL-YPMHNXCESA-N 0 3 388.370 3.433 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153423034 1422527153 /nfs/dbraw/zinc/52/71/53/1422527153.db2.gz VOIIWHACELHHBN-ZWKOTPCHSA-N 0 3 394.560 3.162 20 30 GGEDHN C=CCOc1ccc(-c2nn(CN3CCN(CC4CC4)CC3)c(=S)o2)cc1 ZINC000153602666 1422642867 /nfs/dbraw/zinc/64/28/67/1422642867.db2.gz DZIQOXDOFGMBEX-UHFFFAOYSA-N 0 3 386.521 3.422 20 30 GGEDHN N#CC(C(=O)CN(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccn1 ZINC000179801994 1429575324 /nfs/dbraw/zinc/57/53/24/1429575324.db2.gz XHXUIXIVUWWBNE-FQEVSTJZSA-N 0 3 384.439 3.436 20 30 GGEDHN C=C[C@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000153698597 1422709724 /nfs/dbraw/zinc/70/97/24/1422709724.db2.gz LICDWHWDWWAJNH-JOCHJYFZSA-N 0 3 377.532 3.410 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154206371 1422854874 /nfs/dbraw/zinc/85/48/74/1422854874.db2.gz BEGRZBOGTJTUDD-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CCNC(=O)COc1ccc(CN(Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000154386244 1422882423 /nfs/dbraw/zinc/88/24/23/1422882423.db2.gz BQRVSZXLHFFJAU-UHFFFAOYSA-N 0 3 395.503 3.492 20 30 GGEDHN C#CCOc1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000154737602 1423016856 /nfs/dbraw/zinc/01/68/56/1423016856.db2.gz JZBLDMTVNDIUNU-UHFFFAOYSA-N 0 3 380.463 3.366 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2cccc(C(C)C)c2)cc1 ZINC000155019312 1423119505 /nfs/dbraw/zinc/11/95/05/1423119505.db2.gz OYOWIPRMFAVOOW-NRFANRHFSA-N 0 3 394.471 3.265 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccccc2C(C)(C)C)cc1 ZINC000155062557 1423141544 /nfs/dbraw/zinc/14/15/44/1423141544.db2.gz KEKJFXXKXOFLOQ-SFHVURJKSA-N 0 3 394.471 3.397 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccccc2C(C)(C)C)cc1 ZINC000155062441 1423141852 /nfs/dbraw/zinc/14/18/52/1423141852.db2.gz KEKJFXXKXOFLOQ-GOSISDBHSA-N 0 3 394.471 3.397 20 30 GGEDHN COc1ccc(CCCC(=O)C(C#N)C(=O)NCc2ccccc2)c(OC)c1 ZINC000155108762 1423168940 /nfs/dbraw/zinc/16/89/40/1423168940.db2.gz JXOADFFQXJZHHL-LJQANCHMSA-N 0 3 380.444 3.052 20 30 GGEDHN COc1ccc(CCCC(=O)C(C#N)C(=O)NCc2ccccc2)c(OC)c1 ZINC000155108870 1423168976 /nfs/dbraw/zinc/16/89/76/1423168976.db2.gz JXOADFFQXJZHHL-IBGZPJMESA-N 0 3 380.444 3.052 20 30 GGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000155208573 1423245848 /nfs/dbraw/zinc/24/58/48/1423245848.db2.gz UJPTUWREXUNYPP-UKTKYZJWSA-N 0 3 390.487 3.339 20 30 GGEDHN CC(=O)NC[C@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000155531063 1423402639 /nfs/dbraw/zinc/40/26/39/1423402639.db2.gz AGCQKZFOGOQQTM-HXUWFJFHSA-N 0 3 377.488 3.485 20 30 GGEDHN CC(=O)NC[C@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000155534758 1423404774 /nfs/dbraw/zinc/40/47/74/1423404774.db2.gz UOINHUYUDPXKBV-JOCHJYFZSA-N 0 3 377.488 3.485 20 30 GGEDHN CC(=O)NC[C@@H]1CCCN(Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000155534647 1423404881 /nfs/dbraw/zinc/40/48/81/1423404881.db2.gz UOINHUYUDPXKBV-QFIPXVFZSA-N 0 3 377.488 3.485 20 30 GGEDHN Cc1cn(-c2ccccc2Cl)nc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000155609942 1423444090 /nfs/dbraw/zinc/44/40/90/1423444090.db2.gz QTCUIOOTLHEANB-ZDUSSCGKSA-N 0 3 379.807 3.190 20 30 GGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000155699502 1423492488 /nfs/dbraw/zinc/49/24/88/1423492488.db2.gz QJKQBNOVIZGWQT-QGZVFWFLSA-N 0 3 392.503 3.452 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCC(F)(F)F)cc1Cl ZINC000156093887 1423669851 /nfs/dbraw/zinc/66/98/51/1423669851.db2.gz VRTWEAKWTXAVFY-VIFPVBQESA-N 0 3 380.775 3.291 20 30 GGEDHN C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)[n-]3)cc2)CC1 ZINC000156114307 1423678043 /nfs/dbraw/zinc/67/80/43/1423678043.db2.gz VAWGWNUHOXORQJ-UHFFFAOYSA-N 0 3 385.471 3.422 20 30 GGEDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156750939 1423858907 /nfs/dbraw/zinc/85/89/07/1423858907.db2.gz NUMAXUFYEXCVOA-UHFFFAOYSA-N 0 3 389.443 3.072 20 30 GGEDHN Cc1oc(NC(=O)CN(C)[C@@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1C ZINC000157112654 1423928173 /nfs/dbraw/zinc/92/81/73/1423928173.db2.gz OOBZZXFLVTXTSX-LJQANCHMSA-N 0 3 380.492 3.303 20 30 GGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000157305402 1423980315 /nfs/dbraw/zinc/98/03/15/1423980315.db2.gz QHIMQPBCVPVYBV-UHFFFAOYSA-N 0 3 383.517 3.087 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCCN(c2ccccc2C#N)CC1 ZINC000157583283 1424043031 /nfs/dbraw/zinc/04/30/31/1424043031.db2.gz ZDMHNCWIUPBORZ-UHFFFAOYSA-N 0 3 376.460 3.030 20 30 GGEDHN CCCC(=O)NC[C@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017370 1429694741 /nfs/dbraw/zinc/69/47/41/1429694741.db2.gz CQFQLRVRPADQJM-GOSISDBHSA-N 0 3 379.508 3.087 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000157772825 1424084566 /nfs/dbraw/zinc/08/45/66/1424084566.db2.gz AOCMAQZRXHCVGA-UHFFFAOYSA-N 0 3 397.450 3.435 20 30 GGEDHN CC(C)OCCN1CCC(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000157847881 1424103290 /nfs/dbraw/zinc/10/32/90/1424103290.db2.gz KGOQBHGBOMDPEM-UHFFFAOYSA-N 0 3 388.512 3.356 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000158187438 1424190090 /nfs/dbraw/zinc/19/00/90/1424190090.db2.gz XXHZKRHAYCDARI-WMZOPIPTSA-N 0 3 394.560 3.114 20 30 GGEDHN C=CCC[C@H](NCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)c1ccccc1 ZINC000180040827 1429709391 /nfs/dbraw/zinc/70/93/91/1429709391.db2.gz MTEAVHIZVAWSOQ-SFHVURJKSA-N 0 3 380.448 3.409 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(F)c(F)cc1F ZINC000159517979 1424509695 /nfs/dbraw/zinc/50/96/95/1424509695.db2.gz MRFBHQXKYIGQKW-UHFFFAOYSA-N 0 3 375.394 3.108 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000159802970 1424538542 /nfs/dbraw/zinc/53/85/42/1424538542.db2.gz MIIBNOXULMVBOQ-OAHLLOKOSA-N 0 3 379.372 3.142 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)cc2cccnc21 ZINC000160874805 1424640552 /nfs/dbraw/zinc/64/05/52/1424640552.db2.gz ADENCAZLKQEONO-UHFFFAOYSA-N 0 3 376.435 3.450 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(C)n1CCC ZINC000161267398 1424671982 /nfs/dbraw/zinc/67/19/82/1424671982.db2.gz LVQSODQULMFNRS-UHFFFAOYSA-N 0 3 389.573 3.095 20 30 GGEDHN C[C@H](Cc1ccc(Br)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000161970663 1424804584 /nfs/dbraw/zinc/80/45/84/1424804584.db2.gz ZXEZKQFJJNWYPT-MLGOLLRUSA-N 0 3 377.282 3.395 20 30 GGEDHN Cn1cc(CNCc2ccccc2N2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000180139780 1429755004 /nfs/dbraw/zinc/75/50/04/1429755004.db2.gz ILBSPFFVIDTWJK-UHFFFAOYSA-N 0 3 387.487 3.085 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000162459175 1424855139 /nfs/dbraw/zinc/85/51/39/1424855139.db2.gz SZDKWEVEKMVPAV-CQSZACIVSA-N 0 3 382.420 3.016 20 30 GGEDHN CC(=O)Nc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000162769543 1424889072 /nfs/dbraw/zinc/88/90/72/1424889072.db2.gz XCMISBYJMNJOMJ-UHFFFAOYSA-N 0 3 397.454 3.251 20 30 GGEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000162782223 1424890010 /nfs/dbraw/zinc/89/00/10/1424890010.db2.gz XTTBNAFMAZJDAU-INIZCTEOSA-N 0 3 390.553 3.066 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000162803591 1424891822 /nfs/dbraw/zinc/89/18/22/1424891822.db2.gz OAIPDDWRKHMGLY-UHFFFAOYSA-N 0 3 391.475 3.039 20 30 GGEDHN C=CCn1c(SC[C@@H](O)CN(C)Cc2ccccc2)nnc1-c1ccccn1 ZINC000163847128 1425050158 /nfs/dbraw/zinc/05/01/58/1425050158.db2.gz RWAHXGLGNQVTSA-SFHVURJKSA-N 0 3 395.532 3.111 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(OC(C)(C)C)CC2)c(OC)c1 ZINC000164905084 1425150295 /nfs/dbraw/zinc/15/02/95/1425150295.db2.gz MXBMFQXJTXVORR-SFHVURJKSA-N 0 3 377.525 3.443 20 30 GGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000170652714 1425278888 /nfs/dbraw/zinc/27/88/88/1425278888.db2.gz RHANHOFZDYNNSM-GOSISDBHSA-N 0 3 386.496 3.218 20 30 GGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1F ZINC000170673130 1425289945 /nfs/dbraw/zinc/28/99/45/1425289945.db2.gz KXCGMPJWBNVFCF-KDOFPFPSSA-N 0 3 395.434 3.369 20 30 GGEDHN Cc1nn(-c2ccccc2)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000170682425 1425295372 /nfs/dbraw/zinc/29/53/72/1425295372.db2.gz HGFIHHFKSPAAMA-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccn2)s1 ZINC000170781494 1425341040 /nfs/dbraw/zinc/34/10/40/1425341040.db2.gz XUPLKUARHXRVAD-UHFFFAOYSA-N 0 3 391.500 3.281 20 30 GGEDHN N#CCOc1ccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1 ZINC000170804343 1425349242 /nfs/dbraw/zinc/34/92/42/1425349242.db2.gz XUQUVACTWDVRKM-NRFANRHFSA-N 0 3 378.476 3.225 20 30 GGEDHN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000171105392 1425484886 /nfs/dbraw/zinc/48/48/86/1425484886.db2.gz KYZZGRVATGGURR-ZFWWWQNUSA-N 0 3 390.361 3.498 20 30 GGEDHN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000171105397 1425485009 /nfs/dbraw/zinc/48/50/09/1425485009.db2.gz KYZZGRVATGGURR-HIFRSBDPSA-N 0 3 390.361 3.498 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000171539629 1425723905 /nfs/dbraw/zinc/72/39/05/1425723905.db2.gz GOOJMJBGXDJPIA-UHFFFAOYSA-N 0 3 375.473 3.040 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000171641154 1425769637 /nfs/dbraw/zinc/76/96/37/1425769637.db2.gz YOJKMVOTHRZGPE-UHFFFAOYSA-N 0 3 390.381 3.133 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1 ZINC000171644155 1425770529 /nfs/dbraw/zinc/77/05/29/1425770529.db2.gz NXMOGYGDYGLAAI-UHFFFAOYSA-N 0 3 375.473 3.040 20 30 GGEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1cnn(C)c1 ZINC000171655423 1425776882 /nfs/dbraw/zinc/77/68/82/1425776882.db2.gz ZJLYVDGUPLJQFA-AWEZNQCLSA-N 0 3 385.537 3.329 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000171679963 1425787622 /nfs/dbraw/zinc/78/76/22/1425787622.db2.gz MPVWVEIBQACUTH-HZPDHXFCSA-N 0 3 390.503 3.211 20 30 GGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000171705671 1425795741 /nfs/dbraw/zinc/79/57/41/1425795741.db2.gz UPMIISLQDVTHDN-UHFFFAOYSA-N 0 3 399.535 3.219 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OCCCC)c(OC)c2)CC1 ZINC000171709863 1425799616 /nfs/dbraw/zinc/79/96/16/1425799616.db2.gz JXEFXFQZGZTYPC-UHFFFAOYSA-N 0 3 375.513 3.324 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC1 ZINC000171714568 1425800487 /nfs/dbraw/zinc/80/04/87/1425800487.db2.gz OMGDJSUDGVNCOO-UHFFFAOYSA-N 0 3 378.476 3.023 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000171718856 1425802146 /nfs/dbraw/zinc/80/21/46/1425802146.db2.gz KICVHVXDCHHTHB-UHFFFAOYSA-N 0 3 383.439 3.136 20 30 GGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)CC1 ZINC000171719556 1425802620 /nfs/dbraw/zinc/80/26/20/1425802620.db2.gz GNPXDTMBTJWCED-JXMROGBWSA-N 0 3 377.488 3.440 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000171719947 1425802812 /nfs/dbraw/zinc/80/28/12/1425802812.db2.gz RAWOZDXZPCWPFD-UHFFFAOYSA-N 0 3 378.904 3.008 20 30 GGEDHN C=CCN1CCC(NC(=O)CCc2c(C)nc3c4ccccc4nn3c2C)CC1 ZINC000171722284 1425803406 /nfs/dbraw/zinc/80/34/06/1425803406.db2.gz FXCNESDECUXWCA-UHFFFAOYSA-N 0 3 391.519 3.199 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)CC1 ZINC000171720726 1425803539 /nfs/dbraw/zinc/80/35/39/1425803539.db2.gz XETNJTBWZRPSHH-UHFFFAOYSA-N 0 3 393.516 3.376 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000171724898 1425804025 /nfs/dbraw/zinc/80/40/25/1425804025.db2.gz BFOLGHVHWQDWIT-UHFFFAOYSA-N 0 3 376.497 3.263 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000171725164 1425804074 /nfs/dbraw/zinc/80/40/74/1425804074.db2.gz JVHFZSPKYMNWPK-LJQANCHMSA-N 0 3 391.943 3.251 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000171725160 1425804152 /nfs/dbraw/zinc/80/41/52/1425804152.db2.gz JVHFZSPKYMNWPK-IBGZPJMESA-N 0 3 391.943 3.251 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000171738104 1425807421 /nfs/dbraw/zinc/80/74/21/1425807421.db2.gz DRNXMJWILCMANM-UHFFFAOYSA-N 0 3 390.959 3.208 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171738706 1425807978 /nfs/dbraw/zinc/80/79/78/1425807978.db2.gz XFENJMVTGNHFHT-SFHVURJKSA-N 0 3 394.560 3.068 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2OC)C[C@@H]2CCCO2)CC1 ZINC000171741648 1425808613 /nfs/dbraw/zinc/80/86/13/1425808613.db2.gz PRQQXACAWHKMDV-FQEVSTJZSA-N 0 3 387.524 3.036 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CC1 ZINC000171740440 1425808759 /nfs/dbraw/zinc/80/87/59/1425808759.db2.gz WHAIKPDTVZOMGY-UHFFFAOYSA-N 0 3 378.904 3.252 20 30 GGEDHN COc1cc(Br)cc(C[NH2+]Cc2ccc(OCC#N)cc2)c1[O-] ZINC000171769167 1425815679 /nfs/dbraw/zinc/81/56/79/1425815679.db2.gz STBFTCNJGYNJQY-UHFFFAOYSA-N 0 3 377.238 3.355 20 30 GGEDHN CCOc1ccc(C#N)cc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000171855744 1425836360 /nfs/dbraw/zinc/83/63/60/1425836360.db2.gz YZBRDQNXKQOAHN-UHFFFAOYSA-N 0 3 392.503 3.498 20 30 GGEDHN CC(C)COc1ncccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000171945057 1425858720 /nfs/dbraw/zinc/85/87/20/1425858720.db2.gz PFTUNQDBYDWVJO-UHFFFAOYSA-N 0 3 380.492 3.192 20 30 GGEDHN Cc1ccc(COc2ccc(CNCCNC(=O)C3N=CC=CC3=O)cc2)cc1 ZINC000172124358 1425906612 /nfs/dbraw/zinc/90/66/12/1425906612.db2.gz QJCMAUKOOKVBAC-FCQUAONHSA-N 0 3 391.471 3.190 20 30 GGEDHN N#CCOc1ccc(CNC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000172202567 1425945215 /nfs/dbraw/zinc/94/52/15/1425945215.db2.gz XYXJFNUYWOKVLB-HXUWFJFHSA-N 0 3 378.476 3.053 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cccnc2Oc2cccc(OC)c2)CC1 ZINC000172607219 1426111553 /nfs/dbraw/zinc/11/15/53/1426111553.db2.gz SPVRJRRQGINQOQ-UHFFFAOYSA-N 0 3 396.491 3.332 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172648647 1426126297 /nfs/dbraw/zinc/12/62/97/1426126297.db2.gz RTOYILLSLYDGJC-SFHVURJKSA-N 0 3 379.460 3.296 20 30 GGEDHN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000172668791 1426136338 /nfs/dbraw/zinc/13/63/38/1426136338.db2.gz QWYPPLCQNSAOBA-JKSUJKDBSA-N 0 3 382.464 3.472 20 30 GGEDHN CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)cc3C)c(C)c2)CC1 ZINC000172675116 1426138277 /nfs/dbraw/zinc/13/82/77/1426138277.db2.gz YAYHBZNUAAWZOG-UHFFFAOYSA-N 0 3 398.532 3.118 20 30 GGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N ZINC000173223382 1426406457 /nfs/dbraw/zinc/40/64/57/1426406457.db2.gz NPOYDSYAXMYBPD-IBGZPJMESA-N 0 3 383.517 3.091 20 30 GGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000173223532 1426406909 /nfs/dbraw/zinc/40/69/09/1426406909.db2.gz YNICYPLBHAOVDZ-JOCHJYFZSA-N 0 3 397.544 3.232 20 30 GGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000173222956 1426407544 /nfs/dbraw/zinc/40/75/44/1426407544.db2.gz MVRFPGDLYVWWCB-NRFANRHFSA-N 0 3 397.544 3.399 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2cccc(C)c2)CC1 ZINC000173271709 1426449855 /nfs/dbraw/zinc/44/98/55/1426449855.db2.gz KVYVYFNLAFZUFG-UHFFFAOYSA-N 0 3 393.487 3.492 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)CC1 ZINC000173273185 1426451119 /nfs/dbraw/zinc/45/11/19/1426451119.db2.gz YHCUDVYZSCFMSS-UHFFFAOYSA-N 0 3 387.549 3.426 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(CSC(C)C)c2C)CC1 ZINC000173276267 1426454621 /nfs/dbraw/zinc/45/46/21/1426454621.db2.gz RMFWYDZQANZDLI-UHFFFAOYSA-N 0 3 389.565 3.342 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)Nc1ccn(CCC#N)n1)c1cccc(OC)c1 ZINC000173376993 1426550190 /nfs/dbraw/zinc/55/01/90/1426550190.db2.gz ZCEDXBLAJTWOBT-SFHVURJKSA-N 0 3 384.484 3.010 20 30 GGEDHN COc1cccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)N2CCCC2)c1 ZINC000173426253 1426608189 /nfs/dbraw/zinc/60/81/89/1426608189.db2.gz KNPSNBQXYSAPOM-OAQYLSRUSA-N 0 3 396.466 3.342 20 30 GGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000173539618 1426714881 /nfs/dbraw/zinc/71/48/81/1426714881.db2.gz ZRURONWVSBAGOZ-HNNXBMFYSA-N 0 3 398.511 3.073 20 30 GGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc(C(C)(C)C)no1 ZINC000173539633 1426714947 /nfs/dbraw/zinc/71/49/47/1426714947.db2.gz ZRURONWVSBAGOZ-OAHLLOKOSA-N 0 3 398.511 3.073 20 30 GGEDHN Cc1cc2c(cc1C)O[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C2 ZINC000173580553 1426745837 /nfs/dbraw/zinc/74/58/37/1426745837.db2.gz VISFTFIJPYPJAN-QFIPXVFZSA-N 0 3 377.488 3.069 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173934616 1426898123 /nfs/dbraw/zinc/89/81/23/1426898123.db2.gz DABJAGPEIYOPMN-OWCLPIDISA-N 0 3 383.275 3.349 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173943685 1426902266 /nfs/dbraw/zinc/90/22/66/1426902266.db2.gz SQLFRANUBBVAJR-WFASDCNBSA-N 0 3 381.270 3.232 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000173943699 1426902519 /nfs/dbraw/zinc/90/25/19/1426902519.db2.gz SQLFRANUBBVAJR-SWLSCSKDSA-N 0 3 381.270 3.232 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC000173963165 1426913304 /nfs/dbraw/zinc/91/33/04/1426913304.db2.gz YBYREQJQTUWPFM-CQSZACIVSA-N 0 3 377.322 3.292 20 30 GGEDHN CC(C)(C)C(=O)Nc1nc(CC(=O)C(C#N)C(=O)Nc2ccccc2)cs1 ZINC000173968225 1426914698 /nfs/dbraw/zinc/91/46/98/1426914698.db2.gz OSIWIIYQJFOFRC-AWEZNQCLSA-N 0 3 384.461 3.018 20 30 GGEDHN CC(C)(C)C(=O)Nc1nc(CC(=O)C(C#N)C(=O)Nc2ccccc2)cs1 ZINC000173968212 1426914773 /nfs/dbraw/zinc/91/47/73/1426914773.db2.gz OSIWIIYQJFOFRC-CQSZACIVSA-N 0 3 384.461 3.018 20 30 GGEDHN CCCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000173976140 1426920828 /nfs/dbraw/zinc/92/08/28/1426920828.db2.gz XTOUSCSNELQJPB-GFCCVEGCSA-N 0 3 384.263 3.337 20 30 GGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(Br)s1 ZINC000174011065 1426942015 /nfs/dbraw/zinc/94/20/15/1426942015.db2.gz HRUDEEYKBOLSJA-NXEZZACHSA-N 0 3 378.251 3.357 20 30 GGEDHN Cc1ccc(C#N)cc1S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174039633 1426962855 /nfs/dbraw/zinc/96/28/55/1426962855.db2.gz LGGADZRNEQMJBT-HXUWFJFHSA-N 0 3 383.517 3.009 20 30 GGEDHN CN(C[C@@H]1CCCN1CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000174286932 1427085565 /nfs/dbraw/zinc/08/55/65/1427085565.db2.gz JLBATIMHKOUKAN-HNNXBMFYSA-N 0 3 392.525 3.280 20 30 GGEDHN COc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174306332 1427094161 /nfs/dbraw/zinc/09/41/61/1427094161.db2.gz YETJDVFEZYYKPT-CALCHBBNSA-N 0 3 393.487 3.106 20 30 GGEDHN CCN1CCN(c2ccc(CNCc3ccc(OC)c(C#N)c3)cc2F)CC1 ZINC000174368011 1427123151 /nfs/dbraw/zinc/12/31/51/1427123151.db2.gz HTCNMMVJXANIOL-UHFFFAOYSA-N 0 3 382.483 3.138 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000174401125 1427140200 /nfs/dbraw/zinc/14/02/00/1427140200.db2.gz YANATOAVGWTUCY-NHCUHLMSSA-N 0 3 394.523 3.012 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)NCc3cc(C#N)ccc3F)c(C)c2)CC1 ZINC000174607339 1427258580 /nfs/dbraw/zinc/25/85/80/1427258580.db2.gz MZTOURMFXUCAOK-UHFFFAOYSA-N 0 3 395.482 3.469 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1 ZINC000175164270 1427576936 /nfs/dbraw/zinc/57/69/36/1427576936.db2.gz NTORVJUOHIFHTN-OAQYLSRUSA-N 0 3 390.487 3.171 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000175474199 1427775004 /nfs/dbraw/zinc/77/50/04/1427775004.db2.gz KVBGZBNAGQEFDJ-UHFFFAOYSA-N 0 3 394.560 3.068 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000175511171 1427797731 /nfs/dbraw/zinc/79/77/31/1427797731.db2.gz UWNIFOOZLPZOJG-ZWKOTPCHSA-N 0 3 377.554 3.386 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC000175765515 1427883987 /nfs/dbraw/zinc/88/39/87/1427883987.db2.gz HSTMPUHCOXEXDN-SFHVURJKSA-N 0 3 396.576 3.266 20 30 GGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC000175812588 1427904582 /nfs/dbraw/zinc/90/45/82/1427904582.db2.gz UZCGQTRJTZFSGQ-INIZCTEOSA-N 0 3 399.004 3.373 20 30 GGEDHN CC(C)[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000175908410 1427965462 /nfs/dbraw/zinc/96/54/62/1427965462.db2.gz YFDCSCKMXZNECW-QFIPXVFZSA-N 0 3 393.535 3.466 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000176019077 1428030379 /nfs/dbraw/zinc/03/03/79/1428030379.db2.gz IHIUGRBXDMPGDG-LZLYRXPVSA-N 0 3 378.428 3.467 20 30 GGEDHN C=CCOc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000176040773 1428042347 /nfs/dbraw/zinc/04/23/47/1428042347.db2.gz TYPFJZWLQFPNFD-UHFFFAOYSA-N 0 3 380.488 3.138 20 30 GGEDHN C=CCOc1ccccc1C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000176044316 1428045843 /nfs/dbraw/zinc/04/58/43/1428045843.db2.gz QCSWUQOUFWBKKN-UHFFFAOYSA-N 0 3 380.488 3.138 20 30 GGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176069327 1428065429 /nfs/dbraw/zinc/06/54/29/1428065429.db2.gz AVAAQAIUECOYDK-UHFFFAOYSA-N 0 3 390.487 3.082 20 30 GGEDHN C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176068806 1428065501 /nfs/dbraw/zinc/06/55/01/1428065501.db2.gz FQUNZJUHPOBLOZ-UHFFFAOYSA-N 0 3 379.504 3.252 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180220978 1429806155 /nfs/dbraw/zinc/80/61/55/1429806155.db2.gz HXKAGDZZRHWDII-INIZCTEOSA-N 0 3 384.430 3.210 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@@H](C)O1 ZINC000180229604 1429808533 /nfs/dbraw/zinc/80/85/33/1429808533.db2.gz JQMKQGMITIJGJO-QZTJIDSGSA-N 0 3 381.520 3.203 20 30 GGEDHN CCC[C@@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCN1CCOC ZINC000180464803 1429875486 /nfs/dbraw/zinc/87/54/86/1429875486.db2.gz GDUYTTSTRIKDFI-JOCHJYFZSA-N 0 3 395.551 3.396 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000180524309 1429889448 /nfs/dbraw/zinc/88/94/48/1429889448.db2.gz PCXBPRRHDILIKF-RBUKOAKNSA-N 0 3 385.508 3.340 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538743 1429893310 /nfs/dbraw/zinc/89/33/10/1429893310.db2.gz IOWZYTHBUAKQDW-ROUUACIJSA-N 0 3 381.879 3.259 20 30 GGEDHN COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCCN(C)CC3)c2)c1 ZINC000180634818 1429946197 /nfs/dbraw/zinc/94/61/97/1429946197.db2.gz VUUUCHWPPZIUPX-UHFFFAOYSA-N 0 3 391.471 3.042 20 30 GGEDHN COc1cccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c21 ZINC000180705992 1429989168 /nfs/dbraw/zinc/98/91/68/1429989168.db2.gz NVHXVNXYEQAZFV-UHFFFAOYSA-N 0 3 390.487 3.181 20 30 GGEDHN CC[C@H](C)Oc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccn1 ZINC000180767517 1430028190 /nfs/dbraw/zinc/02/81/90/1430028190.db2.gz RNOMQDXVXXQVOC-KRWDZBQOSA-N 0 3 380.492 3.335 20 30 GGEDHN Cc1nc(Cc2ccccc2)sc1[C@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180877045 1430082989 /nfs/dbraw/zinc/08/29/89/1430082989.db2.gz XURDLYXBDOGQDS-MPHHAOFMSA-N 0 3 396.516 3.219 20 30 GGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180898641 1430096691 /nfs/dbraw/zinc/09/66/91/1430096691.db2.gz SLUOGSLXYATPDG-QGZVFWFLSA-N 0 3 392.503 3.063 20 30 GGEDHN C#CCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921884 1430116309 /nfs/dbraw/zinc/11/63/09/1430116309.db2.gz DZJPIIKTIVODGK-JTSKRJEESA-N 0 3 378.472 3.159 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181160660 1430232022 /nfs/dbraw/zinc/23/20/22/1430232022.db2.gz FIVVHDVFUBQRNF-OAHLLOKOSA-N 0 3 380.895 3.007 20 30 GGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175343 1430238029 /nfs/dbraw/zinc/23/80/29/1430238029.db2.gz YIYJPGGYPDFJQF-QAPCUYQASA-N 0 3 388.899 3.398 20 30 GGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175309 1430238091 /nfs/dbraw/zinc/23/80/91/1430238091.db2.gz YIYJPGGYPDFJQF-CRAIPNDOSA-N 0 3 388.899 3.398 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181191202 1430243889 /nfs/dbraw/zinc/24/38/89/1430243889.db2.gz IZPIKQYVYWXEQH-WIYYLYMNSA-N 0 3 384.501 3.089 20 30 GGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CC1 ZINC000181581466 1430323143 /nfs/dbraw/zinc/32/31/43/1430323143.db2.gz RDHUDXQDFQJARS-IBGZPJMESA-N 0 3 384.455 3.058 20 30 GGEDHN C[C@@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181602062 1430326199 /nfs/dbraw/zinc/32/61/99/1430326199.db2.gz RCVUAWJCYDGREA-QGZVFWFLSA-N 0 3 399.516 3.224 20 30 GGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2cccc3ccccc32)CC1 ZINC000181661755 1430337246 /nfs/dbraw/zinc/33/72/46/1430337246.db2.gz IKZFBLWPFZDAAB-AVRDEDQJSA-N 0 3 378.520 3.183 20 30 GGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2cccc3ccccc32)CC1 ZINC000181661732 1430337305 /nfs/dbraw/zinc/33/73/05/1430337305.db2.gz IKZFBLWPFZDAAB-PGRDOPGGSA-N 0 3 378.520 3.183 20 30 GGEDHN CC[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000181826672 1430368231 /nfs/dbraw/zinc/36/82/31/1430368231.db2.gz WTWXKRPIIMXSEL-HXUWFJFHSA-N 0 3 389.459 3.432 20 30 GGEDHN CC[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000181826653 1430368267 /nfs/dbraw/zinc/36/82/67/1430368267.db2.gz WTWXKRPIIMXSEL-FQEVSTJZSA-N 0 3 389.459 3.432 20 30 GGEDHN CC(C)c1nc2n(n1)CCC[C@H]2NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181882945 1430377155 /nfs/dbraw/zinc/37/71/55/1430377155.db2.gz KCUTVOPQADSODG-HXUWFJFHSA-N 0 3 378.524 3.362 20 30 GGEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCCO1 ZINC000182336146 1430450206 /nfs/dbraw/zinc/45/02/06/1430450206.db2.gz MILOYUNSLGNLBJ-PMACEKPBSA-N 0 3 380.492 3.452 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000182530761 1430484271 /nfs/dbraw/zinc/48/42/71/1430484271.db2.gz RNYIDKUVVABGNC-SFHVURJKSA-N 0 3 397.441 3.439 20 30 GGEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]2c2ccccc2)CC1 ZINC000182614722 1430502952 /nfs/dbraw/zinc/50/29/52/1430502952.db2.gz GMEPGBPNEZLXHP-PMACEKPBSA-N 0 3 394.544 3.294 20 30 GGEDHN CCc1nccn1[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182759925 1430535468 /nfs/dbraw/zinc/53/54/68/1430535468.db2.gz BVDRCODPBPMAFL-WOJBJXKFSA-N 0 3 377.492 3.150 20 30 GGEDHN C[C@@H]1Oc2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000182825710 1430547771 /nfs/dbraw/zinc/54/77/71/1430547771.db2.gz XCROGGUKHDBPLQ-HNNXBMFYSA-N 0 3 376.460 3.354 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182840467 1430551408 /nfs/dbraw/zinc/55/14/08/1430551408.db2.gz GTWBXRGTINJFAD-HNNXBMFYSA-N 0 3 394.397 3.498 20 30 GGEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CNC2(c3ccccc3)CCC2)CC1 ZINC000182871288 1430558592 /nfs/dbraw/zinc/55/85/92/1430558592.db2.gz BBIROXHVOUXWTF-LJQANCHMSA-N 0 3 394.544 3.126 20 30 GGEDHN Cc1ccc(CCCON=C(N)c2ccccc2CN2CCC(O)CC2)cc1 ZINC000182924496 1430573219 /nfs/dbraw/zinc/57/32/19/1430573219.db2.gz KEFHKUMGCVKBHB-UHFFFAOYSA-N 0 3 381.520 3.221 20 30 GGEDHN CCc1ccc([C@@H](CN2CCOCC2)NCc2ccc(OCC#N)cc2)cc1 ZINC000183752338 1430786824 /nfs/dbraw/zinc/78/68/24/1430786824.db2.gz YWHMIPSDFOMPTG-HSZRJFAPSA-N 0 3 379.504 3.314 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000183810118 1430799044 /nfs/dbraw/zinc/79/90/44/1430799044.db2.gz GDRVPDQAXPEYHD-HXUWFJFHSA-N 0 3 399.539 3.023 20 30 GGEDHN CCN(CCO)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000183931926 1430814789 /nfs/dbraw/zinc/81/47/89/1430814789.db2.gz XZCFXSGHLLSSFS-UHFFFAOYSA-N 0 3 387.867 3.048 20 30 GGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2cc3ccccc3s2)CC1 ZINC000184374262 1430880032 /nfs/dbraw/zinc/88/00/32/1430880032.db2.gz OAVBNODKDSIUGF-WMZOPIPTSA-N 0 3 384.549 3.244 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000184590088 1430911411 /nfs/dbraw/zinc/91/14/11/1430911411.db2.gz TVSSUMQTZYSVGZ-IBGZPJMESA-N 0 3 377.916 3.463 20 30 GGEDHN CSCC[C@H](NCCCOc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000184607649 1430918076 /nfs/dbraw/zinc/91/80/76/1430918076.db2.gz NOACNGQVVBHQRS-SFHVURJKSA-N 0 3 381.505 3.454 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000184610239 1430918511 /nfs/dbraw/zinc/91/85/11/1430918511.db2.gz MJPHTZQXYXFQOD-FQEVSTJZSA-N 0 3 396.491 3.316 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)CC1 ZINC000184891543 1431014260 /nfs/dbraw/zinc/01/42/60/1431014260.db2.gz CWUAMOATKJHAAG-UHFFFAOYSA-N 0 3 399.441 3.337 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(COC(C)(C)C)on1 ZINC000185202030 1431083646 /nfs/dbraw/zinc/08/36/46/1431083646.db2.gz WRXXWRQQJAWPIG-UHFFFAOYSA-N 0 3 384.480 3.065 20 30 GGEDHN CCN(CCO)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000185393395 1431135019 /nfs/dbraw/zinc/13/50/19/1431135019.db2.gz PCJQZJZWRYHPMS-UHFFFAOYSA-N 0 3 382.464 3.095 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000185592233 1431178687 /nfs/dbraw/zinc/17/86/87/1431178687.db2.gz ARSWFUJFXHTAFM-NRFANRHFSA-N 0 3 392.503 3.078 20 30 GGEDHN CCOc1cc(NC2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)ncn1 ZINC000185663830 1431199687 /nfs/dbraw/zinc/19/96/87/1431199687.db2.gz DGESBNDZEZLBDR-UHFFFAOYSA-N 0 3 394.523 3.302 20 30 GGEDHN CCOc1cc(NC2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)ncn1 ZINC000185667157 1431200630 /nfs/dbraw/zinc/20/06/30/1431200630.db2.gz SMVVAHMUNZFVIV-INIZCTEOSA-N 0 3 381.480 3.243 20 30 GGEDHN C=C(C)[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185843634 1431249647 /nfs/dbraw/zinc/24/96/47/1431249647.db2.gz KJQLJHYDLKVFGY-HXUWFJFHSA-N 0 3 393.478 3.336 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(COC(C)(C)C)on1 ZINC000185848588 1431250701 /nfs/dbraw/zinc/25/07/01/1431250701.db2.gz VKDKREYSYZBZLT-UHFFFAOYSA-N 0 3 384.480 3.065 20 30 GGEDHN Cc1cc2c(cc1C)[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)CO2 ZINC000185848412 1431250711 /nfs/dbraw/zinc/25/07/11/1431250711.db2.gz NIGYCMJHHNAGEH-NRFANRHFSA-N 0 3 377.488 3.242 20 30 GGEDHN N#CCCCOc1cccc(CNCc2ccc(N3CCCS3(=O)=O)cc2)c1 ZINC000185854184 1431252507 /nfs/dbraw/zinc/25/25/07/1431252507.db2.gz JMJPHIYYFMUDCP-UHFFFAOYSA-N 0 3 399.516 3.199 20 30 GGEDHN COc1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000186285049 1431371543 /nfs/dbraw/zinc/37/15/43/1431371543.db2.gz MSLRNLSQDWHVKR-INIZCTEOSA-N 0 3 399.516 3.300 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)CC1 ZINC000186585961 1431461155 /nfs/dbraw/zinc/46/11/55/1431461155.db2.gz YDWCQSMANKTIBP-IBGZPJMESA-N 0 3 379.451 3.088 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1OCC#N ZINC000187236935 1431659916 /nfs/dbraw/zinc/65/99/16/1431659916.db2.gz VNWPDWJPTSUWEW-LCZLWRFISA-N 0 3 393.487 3.418 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)ccc1OCC#N ZINC000187236912 1431660354 /nfs/dbraw/zinc/66/03/54/1431660354.db2.gz VNWPDWJPTSUWEW-MOBNQBNPSA-N 0 3 393.487 3.418 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187238674 1431661268 /nfs/dbraw/zinc/66/12/68/1431661268.db2.gz BMEQLXNFNUYQGB-VGSWGCGISA-N 0 3 381.524 3.154 20 30 GGEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000187930329 1431828530 /nfs/dbraw/zinc/82/85/30/1431828530.db2.gz VAGVMYWCTZCVFH-UHFFFAOYSA-N 0 3 390.487 3.058 20 30 GGEDHN C#CCOc1ccccc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000188035223 1431838385 /nfs/dbraw/zinc/83/83/85/1431838385.db2.gz NAFVBQIASIUWDT-UHFFFAOYSA-N 0 3 392.503 3.264 20 30 GGEDHN C#CCOc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000188127950 1431850615 /nfs/dbraw/zinc/85/06/15/1431850615.db2.gz MVVDKCARFBYFSL-UHFFFAOYSA-N 0 3 376.460 3.166 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(N(C)C)c1 ZINC000188663348 1431924621 /nfs/dbraw/zinc/92/46/21/1431924621.db2.gz FKLDBWSPHUTYEH-UHFFFAOYSA-N 0 3 378.520 3.147 20 30 GGEDHN C[C@@H](CNC(=O)Nc1ncccc1OCCCC#N)N(C)Cc1ccccc1 ZINC000188720844 1431945421 /nfs/dbraw/zinc/94/54/21/1431945421.db2.gz DPLGMXFTTBDNPK-KRWDZBQOSA-N 0 3 381.480 3.406 20 30 GGEDHN CC(=O)Nc1ccc(C)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000189013643 1432027067 /nfs/dbraw/zinc/02/70/67/1432027067.db2.gz IKGMVEJGWPIFPU-UHFFFAOYSA-N 0 3 378.476 3.029 20 30 GGEDHN C[C@@H](C1CC1)n1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000189811502 1432241805 /nfs/dbraw/zinc/24/18/05/1432241805.db2.gz ZCRIFAHLSDIPRE-INIZCTEOSA-N 0 3 380.496 3.321 20 30 GGEDHN COC(=O)[C@@](C)(CN[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935395 1432280234 /nfs/dbraw/zinc/28/02/34/1432280234.db2.gz GSEXLHMFHCUPPR-SZNDQCEHSA-N 0 3 399.878 3.259 20 30 GGEDHN C#CCOc1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189983346 1432299889 /nfs/dbraw/zinc/29/98/89/1432299889.db2.gz QVVKACQWVHZKIG-GOSISDBHSA-N 0 3 398.528 3.432 20 30 GGEDHN CCCN1CCN(c2ccc(NC(=O)c3cc(C#N)c[nH]3)c(OCC)c2)CC1 ZINC000190078183 1432315651 /nfs/dbraw/zinc/31/56/51/1432315651.db2.gz NEBOUANGXLSDOS-UHFFFAOYSA-N 0 3 381.480 3.069 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC1 ZINC000190138330 1432326594 /nfs/dbraw/zinc/32/65/94/1432326594.db2.gz WCIFGIFUNVAWTE-UHFFFAOYSA-N 0 3 378.476 3.317 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190222744 1432343873 /nfs/dbraw/zinc/34/38/73/1432343873.db2.gz KDYLRKUBZNUIKH-OAQYLSRUSA-N 0 3 377.488 3.274 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(F)c(F)c1 ZINC000190370287 1432368659 /nfs/dbraw/zinc/36/86/59/1432368659.db2.gz PWRVPRXSSOAPDL-UHFFFAOYSA-N 0 3 386.446 3.152 20 30 GGEDHN COCCOc1ccc([C@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604414 1432417902 /nfs/dbraw/zinc/41/79/02/1432417902.db2.gz VNGUCWQUVORCOO-JTSKRJEESA-N 0 3 393.487 3.035 20 30 GGEDHN C#CCOc1ccccc1NC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000190726400 1432457080 /nfs/dbraw/zinc/45/70/80/1432457080.db2.gz NRCNSGRTTQHMQN-UHFFFAOYSA-N 0 3 381.476 3.303 20 30 GGEDHN Cc1nc(COc2cccc(C(=O)C(C#N)c3cnc4ccccc4n3)c2)no1 ZINC000190972523 1432540646 /nfs/dbraw/zinc/54/06/46/1432540646.db2.gz VVWMTEHOEJQWEY-MRXNPFEDSA-N 0 3 385.383 3.390 20 30 GGEDHN Cc1nc(COc2cccc(C(=O)C(C#N)c3cnc4ccccc4n3)c2)no1 ZINC000190972507 1432540739 /nfs/dbraw/zinc/54/07/39/1432540739.db2.gz VVWMTEHOEJQWEY-INIZCTEOSA-N 0 3 385.383 3.390 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000191253657 1432606541 /nfs/dbraw/zinc/60/65/41/1432606541.db2.gz FXSALLFJYPXFSQ-UTKZUKDTSA-N 0 3 395.503 3.388 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000191253672 1432606762 /nfs/dbraw/zinc/60/67/62/1432606762.db2.gz FXSALLFJYPXFSQ-LAUBAEHRSA-N 0 3 395.503 3.388 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN(CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191355610 1432639853 /nfs/dbraw/zinc/63/98/53/1432639853.db2.gz CGGHKDMXILCEBI-QHCPKHFHSA-N 0 3 387.483 3.438 20 30 GGEDHN CCOC(=O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000191517640 1432677231 /nfs/dbraw/zinc/67/72/31/1432677231.db2.gz YRDZJXNGOJCQRB-QFIPXVFZSA-N 0 3 393.487 3.122 20 30 GGEDHN Cc1ccc(CN2CC[C@@H](NCc3ccc(N(C)CCC#N)cc3)C2=O)cc1 ZINC000191806260 1432729406 /nfs/dbraw/zinc/72/94/06/1432729406.db2.gz RLOXHACREXIULR-JOCHJYFZSA-N 0 3 376.504 3.236 20 30 GGEDHN C[C@H](N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000192051050 1432787881 /nfs/dbraw/zinc/78/78/81/1432787881.db2.gz IOELCSHAKOKMCV-BMGDILEWSA-N 0 3 375.900 3.491 20 30 GGEDHN N#CCSc1cccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192220485 1432818527 /nfs/dbraw/zinc/81/85/27/1432818527.db2.gz GNTWJWNATGGRRX-HXUWFJFHSA-N 0 3 395.528 3.323 20 30 GGEDHN N#Cc1ccc(CN2CC[C@H](NCc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000192242353 1432821513 /nfs/dbraw/zinc/82/15/13/1432821513.db2.gz AQKVJOHUUZFDJU-QHCPKHFHSA-N 0 3 388.515 3.439 20 30 GGEDHN N#Cc1ccc(CN2CC[C@@H](NCc3ccc(N4CCCCC4)cc3)C2=O)cc1 ZINC000192242349 1432821586 /nfs/dbraw/zinc/82/15/86/1432821586.db2.gz AQKVJOHUUZFDJU-HSZRJFAPSA-N 0 3 388.515 3.439 20 30 GGEDHN Cn1nc2c(cc1=O)CN(CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000193060723 1432930068 /nfs/dbraw/zinc/93/00/68/1432930068.db2.gz OFHSVJDLXHYDPN-UHFFFAOYSA-N 0 3 384.483 3.038 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCn1c2ccc(Cl)cc2oc1=O ZINC000193265269 1432971136 /nfs/dbraw/zinc/97/11/36/1432971136.db2.gz RMLMOIHIIFMGII-CYBMUJFWSA-N 0 3 394.818 3.401 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCn1c2ccc(Cl)cc2oc1=O ZINC000193265258 1432971183 /nfs/dbraw/zinc/97/11/83/1432971183.db2.gz RMLMOIHIIFMGII-ZDUSSCGKSA-N 0 3 394.818 3.401 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C(F)(F)F)nc1C ZINC000193377875 1432987718 /nfs/dbraw/zinc/98/77/18/1432987718.db2.gz NNPRNQUIKURSJV-GFCCVEGCSA-N 0 3 377.322 3.379 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1ccsc1)C(=O)Nc1ccc(Cl)cc1 ZINC000193396123 1432990666 /nfs/dbraw/zinc/99/06/66/1432990666.db2.gz QQGFEVGFGQUASB-OAHLLOKOSA-N 0 3 389.864 3.259 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(F)cc2Cl)cc1 ZINC000193495924 1433008949 /nfs/dbraw/zinc/00/89/49/1433008949.db2.gz HEQVRIPHYUQTTO-CQSZACIVSA-N 0 3 376.771 3.214 20 30 GGEDHN Cc1ccc(Cl)cc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193573182 1433021914 /nfs/dbraw/zinc/02/19/14/1433021914.db2.gz JGEUPFCAZCOTHI-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc2cc(Cl)ccc2s1 ZINC000193774834 1433056708 /nfs/dbraw/zinc/05/67/08/1433056708.db2.gz NBAHCIXRCHYOHH-ZDUSSCGKSA-N 0 3 380.820 3.415 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)c3ccccc3OCC#N)c(C)c2)CC1 ZINC000194108554 1433118975 /nfs/dbraw/zinc/11/89/75/1433118975.db2.gz ITPJBVHVTQCCTP-UHFFFAOYSA-N 0 3 378.476 3.292 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000194169512 1433130993 /nfs/dbraw/zinc/13/09/93/1433130993.db2.gz TXIGXBRXGKDBKC-OAHLLOKOSA-N 0 3 386.427 3.132 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)cc1 ZINC000194173315 1433131759 /nfs/dbraw/zinc/13/17/59/1433131759.db2.gz KUZKXQCJYRSNLL-KRWDZBQOSA-N 0 3 393.834 3.499 20 30 GGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194557846 1433197056 /nfs/dbraw/zinc/19/70/56/1433197056.db2.gz TVRFXEKAPUVDDS-MRXNPFEDSA-N 0 3 395.463 3.301 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCCC2 ZINC000194791161 1433233369 /nfs/dbraw/zinc/23/33/69/1433233369.db2.gz ITOOYLQYEXVPJC-UHFFFAOYSA-N 0 3 383.521 3.489 20 30 GGEDHN COc1ccc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cc1OCCCC#N ZINC000194933492 1433267582 /nfs/dbraw/zinc/26/75/82/1433267582.db2.gz WKQIZZFLPOBLEK-KRWDZBQOSA-N 0 3 399.495 3.206 20 30 GGEDHN Cc1oc(-c2ccco2)nc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000195447655 1433330679 /nfs/dbraw/zinc/33/06/79/1433330679.db2.gz PDIOPZIFHBPZBK-UHFFFAOYSA-N 0 3 392.459 3.248 20 30 GGEDHN CN(CCNC(=O)NCCSCc1ccccc1C#N)Cc1ccccc1 ZINC000195614345 1433341941 /nfs/dbraw/zinc/34/19/41/1433341941.db2.gz VVLXKSYLSXBYSF-UHFFFAOYSA-N 0 3 382.533 3.223 20 30 GGEDHN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000195731840 1433346108 /nfs/dbraw/zinc/34/61/08/1433346108.db2.gz NGCHWOORMULNPI-XZOQPEGZSA-N 0 3 388.515 3.060 20 30 GGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000237498814 1433406526 /nfs/dbraw/zinc/40/65/26/1433406526.db2.gz HTASSUPSGOYOSE-IRXDYDNUSA-N 0 3 393.487 3.486 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000237598915 1433411911 /nfs/dbraw/zinc/41/19/11/1433411911.db2.gz BDNKYMXCRDBATH-MRXNPFEDSA-N 0 3 383.467 3.367 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000237606061 1433412235 /nfs/dbraw/zinc/41/22/35/1433412235.db2.gz HTASSUPSGOYOSE-IAGOWNOFSA-N 0 3 393.487 3.486 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000245601385 1433489698 /nfs/dbraw/zinc/48/96/98/1433489698.db2.gz PCXBPRRHDILIKF-RTBURBONSA-N 0 3 385.508 3.340 20 30 GGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245745011 1433510097 /nfs/dbraw/zinc/51/00/97/1433510097.db2.gz MQKHRAMVZJEDFM-PVEYFEBJSA-N 0 3 398.555 3.181 20 30 GGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245745011 1433510103 /nfs/dbraw/zinc/51/01/03/1433510103.db2.gz MQKHRAMVZJEDFM-PVEYFEBJSA-N 0 3 398.555 3.181 20 30 GGEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2)CC1 ZINC000245852132 1433526744 /nfs/dbraw/zinc/52/67/44/1433526744.db2.gz GMEPGBPNEZLXHP-WOJBJXKFSA-N 0 3 394.544 3.294 20 30 GGEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000246356616 1433600020 /nfs/dbraw/zinc/60/00/20/1433600020.db2.gz GJFGAAAXZJUWIG-PGRDOPGGSA-N 0 3 377.488 3.369 20 30 GGEDHN COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000246356626 1433600321 /nfs/dbraw/zinc/60/03/21/1433600321.db2.gz GJFGAAAXZJUWIG-XMSQKQJNSA-N 0 3 377.488 3.369 20 30 GGEDHN C[C@H](C1CC1)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247206050 1433691017 /nfs/dbraw/zinc/69/10/17/1433691017.db2.gz XNTSHAGKRSNTKH-NVXWUHKLSA-N 0 3 384.524 3.086 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000247325842 1433706412 /nfs/dbraw/zinc/70/64/12/1433706412.db2.gz YACGLFXLCWHFBH-FYYLOGMGSA-N 0 3 380.488 3.022 20 30 GGEDHN C[C@@H](C(=O)N(C)C1CCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248046653 1433765869 /nfs/dbraw/zinc/76/58/69/1433765869.db2.gz MPKSLWWXFPYEKH-IBGZPJMESA-N 0 3 382.552 3.246 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000248702066 1433816025 /nfs/dbraw/zinc/81/60/25/1433816025.db2.gz AJSKWHUXDWNRPF-DYESRHJHSA-N 0 3 379.529 3.428 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000248843923 1433825333 /nfs/dbraw/zinc/82/53/33/1433825333.db2.gz OBIRJKODPOXHSM-DYESRHJHSA-N 0 3 392.503 3.244 20 30 GGEDHN C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000249819508 1433852629 /nfs/dbraw/zinc/85/26/29/1433852629.db2.gz FGJUOTHAHVCOJS-YUTCNCBUSA-N 0 3 382.819 3.101 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000250997545 1433857589 /nfs/dbraw/zinc/85/75/89/1433857589.db2.gz XILCRSYGSBHVFX-NQIIRXRSSA-N 0 3 393.535 3.298 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000253542691 1433868443 /nfs/dbraw/zinc/86/84/43/1433868443.db2.gz JBZHPGQAJBFCPO-VQIMIIECSA-N 0 3 398.551 3.321 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000253542691 1433868444 /nfs/dbraw/zinc/86/84/44/1433868444.db2.gz JBZHPGQAJBFCPO-VQIMIIECSA-N 0 3 398.551 3.321 20 30 GGEDHN Cc1ccc(CNC(=NC[C@H]2CCCS(=O)(=O)C2)Nc2ccccc2)cc1 ZINC000262246987 1433932255 /nfs/dbraw/zinc/93/22/55/1433932255.db2.gz BKDGFJPRSNXILG-LJQANCHMSA-N 0 3 385.533 3.187 20 30 GGEDHN C=CC[NH+](CC=C)[C@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000263679641 1434019640 /nfs/dbraw/zinc/01/96/40/1434019640.db2.gz KPJHXRGQFMQPHS-HXUWFJFHSA-N 0 3 384.524 3.023 20 30 GGEDHN C[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797784 1434035394 /nfs/dbraw/zinc/03/53/94/1434035394.db2.gz ZUDPUZJMYAHLOC-KURKYZTESA-N 0 3 384.524 3.150 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000264095202 1434071414 /nfs/dbraw/zinc/07/14/14/1434071414.db2.gz FGHDSHFILWYGDN-MRXNPFEDSA-N 0 3 394.519 3.454 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000264348682 1434100112 /nfs/dbraw/zinc/10/01/12/1434100112.db2.gz CJICSQDVKDYCJH-UHFFFAOYSA-N 0 3 384.524 3.087 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 ZINC000264360331 1434102149 /nfs/dbraw/zinc/10/21/49/1434102149.db2.gz HJXUXXQHXPFLHM-QZTJIDSGSA-N 0 3 386.540 3.462 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000264381462 1434104923 /nfs/dbraw/zinc/10/49/23/1434104923.db2.gz LNRVRROTGZOEGF-UHFFFAOYSA-N 0 3 390.915 3.394 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000264412098 1434109184 /nfs/dbraw/zinc/10/91/84/1434109184.db2.gz UDYYOABPJQGHGG-UHFFFAOYSA-N 0 3 392.931 3.317 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000264425232 1434110964 /nfs/dbraw/zinc/11/09/64/1434110964.db2.gz YEMJKUVDKAGTOJ-OAHLLOKOSA-N 0 3 391.512 3.113 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000264434053 1434111974 /nfs/dbraw/zinc/11/19/74/1434111974.db2.gz VIKLQXSODYDPDH-UHFFFAOYSA-N 0 3 381.505 3.377 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000264437939 1434112500 /nfs/dbraw/zinc/11/25/00/1434112500.db2.gz YUQRUSVJZZDDIU-HDICACEKSA-N 0 3 386.540 3.462 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000264437941 1434112655 /nfs/dbraw/zinc/11/26/55/1434112655.db2.gz YUQRUSVJZZDDIU-QZTJIDSGSA-N 0 3 386.540 3.462 20 30 GGEDHN N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@H](N3CCCCC3)C2)c1 ZINC000264505001 1434121443 /nfs/dbraw/zinc/12/14/43/1434121443.db2.gz KTOUYFAWWDAMKB-IBGZPJMESA-N 0 3 379.460 3.431 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 ZINC000264507818 1434121918 /nfs/dbraw/zinc/12/19/18/1434121918.db2.gz SASCFHLVKSQDFO-UHFFFAOYSA-N 0 3 396.388 3.410 20 30 GGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000264625157 1434136272 /nfs/dbraw/zinc/13/62/72/1434136272.db2.gz IGGHEFHEULWYGP-RBBKRZOGSA-N 0 3 375.472 3.274 20 30 GGEDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000264755291 1434152092 /nfs/dbraw/zinc/15/20/92/1434152092.db2.gz MDOAXPFEEAXNNE-UHFFFAOYSA-N 0 3 392.503 3.060 20 30 GGEDHN C[C@@H](Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)N(C)CCC#N ZINC000264864758 1434160598 /nfs/dbraw/zinc/16/05/98/1434160598.db2.gz MUUJLFOYCKSZIW-GOSISDBHSA-N 0 3 399.539 3.064 20 30 GGEDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000265643800 1434252796 /nfs/dbraw/zinc/25/27/96/1434252796.db2.gz JPPYWOWHYJIEBM-UHFFFAOYSA-N 0 3 389.443 3.070 20 30 GGEDHN COc1ccc([C@@H](CNc2c(C#N)nnc3ccccc32)N(C)C)cc1OC ZINC000265866939 1434274916 /nfs/dbraw/zinc/27/49/16/1434274916.db2.gz HXRLXEYBRGPSLX-GOSISDBHSA-N 0 3 377.448 3.233 20 30 GGEDHN C[C@H]1CN(CCC2CCN(c3c(C#N)nnc4ccccc43)CC2)C[C@H](C)O1 ZINC000267421619 1434431075 /nfs/dbraw/zinc/43/10/75/1434431075.db2.gz UPXKKQDBKBZYEL-IRXDYDNUSA-N 0 3 379.508 3.217 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000268066589 1434492533 /nfs/dbraw/zinc/49/25/33/1434492533.db2.gz VHDKIQHRAASFFE-MJGOQNOKSA-N 0 3 381.467 3.117 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)CC1 ZINC000268258875 1434505767 /nfs/dbraw/zinc/50/57/67/1434505767.db2.gz COPDGOOCJSXWAT-UHFFFAOYSA-N 0 3 397.475 3.164 20 30 GGEDHN CCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC(C)(C)O ZINC000268610492 1434539848 /nfs/dbraw/zinc/53/98/48/1434539848.db2.gz YHBABXMVOGOPFM-UHFFFAOYSA-N 0 3 386.496 3.039 20 30 GGEDHN CCOC(=O)Nc1ccc(NC(=O)N(CCN(C)C)Cc2ccco2)cc1C#N ZINC000269838870 1434680171 /nfs/dbraw/zinc/68/01/71/1434680171.db2.gz NWGDQBBZXALUCI-UHFFFAOYSA-N 0 3 399.451 3.315 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2Cn2c(C)nc3ccccc32)CC1 ZINC000270218143 1434713991 /nfs/dbraw/zinc/71/39/91/1434713991.db2.gz MGFJCCWIMJDMSN-IBGZPJMESA-N 0 3 381.524 3.169 20 30 GGEDHN C#CC[C@H](NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411472 1434731230 /nfs/dbraw/zinc/73/12/30/1434731230.db2.gz LMNFFGILEJMMTH-IPJJNNNSSA-N 0 3 383.536 3.282 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)c1cccc(OC)c1 ZINC000270476980 1434736946 /nfs/dbraw/zinc/73/69/46/1434736946.db2.gz OPYYIJIKUHHFFI-QFIPXVFZSA-N 0 3 395.503 3.339 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270561980 1434744948 /nfs/dbraw/zinc/74/49/48/1434744948.db2.gz KOXALALLPIXYQJ-QFIPXVFZSA-N 0 3 377.488 3.266 20 30 GGEDHN C=C(C)COc1cc(CN2CCC(C(=O)NCCCOC)CC2)ccc1OC ZINC000271177277 1434806327 /nfs/dbraw/zinc/80/63/27/1434806327.db2.gz WDOBZIBDUVBWML-UHFFFAOYSA-N 0 3 390.524 3.015 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434333 1434824497 /nfs/dbraw/zinc/82/44/97/1434824497.db2.gz BRRGQLNIFOAYOI-OXQOHEQNSA-N 0 3 375.513 3.111 20 30 GGEDHN C[C@H](N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837901 1434854027 /nfs/dbraw/zinc/85/40/27/1434854027.db2.gz GFLCAPBSRWUXCT-LPLGYCIKSA-N 0 3 385.414 3.490 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1cccc(OC)c1 ZINC000272055903 1434869178 /nfs/dbraw/zinc/86/91/78/1434869178.db2.gz HZSASZMVLVJELH-IBGZPJMESA-N 0 3 398.511 3.318 20 30 GGEDHN Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)nn1CCC#N ZINC000272121685 1434873478 /nfs/dbraw/zinc/87/34/78/1434873478.db2.gz SIOFOYWMBGKXQA-SFHVURJKSA-N 0 3 380.496 3.234 20 30 GGEDHN CC(C)C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139235 1434874339 /nfs/dbraw/zinc/87/43/39/1434874339.db2.gz UJCRCRDGSPIFMK-SFTDATJTSA-N 0 3 386.540 3.225 20 30 GGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@@H]2C1 ZINC000272273447 1434883252 /nfs/dbraw/zinc/88/32/52/1434883252.db2.gz CREMEFRKTKFXON-SJLPKXTDSA-N 0 3 381.505 3.163 20 30 GGEDHN CC(=O)Nc1ccc([C@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716251 1434925582 /nfs/dbraw/zinc/92/55/82/1434925582.db2.gz DAZAWHJTIRDQQA-YCRPNKLZSA-N 0 3 376.460 3.363 20 30 GGEDHN CC(=O)Nc1ccc([C@@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716249 1434925615 /nfs/dbraw/zinc/92/56/15/1434925615.db2.gz DAZAWHJTIRDQQA-VFNWGFHPSA-N 0 3 376.460 3.363 20 30 GGEDHN COCC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000272766818 1434929503 /nfs/dbraw/zinc/92/95/03/1434929503.db2.gz MDRRWBAGLWCFBC-LJQANCHMSA-N 0 3 384.480 3.002 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000273017061 1434950657 /nfs/dbraw/zinc/95/06/57/1434950657.db2.gz CXTJTBBEMMJZKT-UNMCSNQZSA-N 0 3 396.491 3.104 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@]2(C)CCO[C@H]2C2CC2)c1C#N ZINC000273017057 1434950676 /nfs/dbraw/zinc/95/06/76/1434950676.db2.gz CXTJTBBEMMJZKT-RBBKRZOGSA-N 0 3 396.491 3.104 20 30 GGEDHN COc1ccc(CN[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc1OCCCC#N ZINC000275246756 1435125667 /nfs/dbraw/zinc/12/56/67/1435125667.db2.gz GCWNGUQYGFLHQS-AVRDEDQJSA-N 0 3 398.507 3.348 20 30 GGEDHN CC(C)(NCC(=O)N(CCC#N)CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000276414898 1435210147 /nfs/dbraw/zinc/21/01/47/1435210147.db2.gz MXGAAILZTGZQQS-UHFFFAOYSA-N 0 3 382.386 3.066 20 30 GGEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063018 1435258014 /nfs/dbraw/zinc/25/80/14/1435258014.db2.gz DINOXHRFVHPTAS-PMACEKPBSA-N 0 3 393.487 3.417 20 30 GGEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063035 1435258093 /nfs/dbraw/zinc/25/80/93/1435258093.db2.gz DINOXHRFVHPTAS-VQTJNVASSA-N 0 3 393.487 3.417 20 30 GGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204584 1435278113 /nfs/dbraw/zinc/27/81/13/1435278113.db2.gz JUNLGZIVWJORNC-JTSKRJEESA-N 0 3 385.471 3.196 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277422891 1435303720 /nfs/dbraw/zinc/30/37/20/1435303720.db2.gz GQOKMTBBWMPROM-IBGZPJMESA-N 0 3 383.496 3.002 20 30 GGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277756241 1435327486 /nfs/dbraw/zinc/32/74/86/1435327486.db2.gz JUAMLASORMAZRY-KGLIPLIRSA-N 0 3 397.445 3.339 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949209 1435345086 /nfs/dbraw/zinc/34/50/86/1435345086.db2.gz ZVVXMZVECRQQFD-WBMJQRKESA-N 0 3 389.805 3.175 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnc(-c3ccc(OC)c(OC)c3)s2)CC1 ZINC000278049587 1435353849 /nfs/dbraw/zinc/35/38/49/1435353849.db2.gz UAEUFVMQJJBCPX-UHFFFAOYSA-N 0 3 387.505 3.208 20 30 GGEDHN CC[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000278197009 1435368474 /nfs/dbraw/zinc/36/84/74/1435368474.db2.gz GBHJKRRXFDAWQO-QFIPXVFZSA-N 0 3 376.504 3.187 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2c(n1)CCCC2 ZINC000278400758 1435387633 /nfs/dbraw/zinc/38/76/33/1435387633.db2.gz OFBSQXBUQAILBJ-UHFFFAOYSA-N 0 3 391.519 3.105 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278457780 1435392383 /nfs/dbraw/zinc/39/23/83/1435392383.db2.gz OHLCSKAJZIDNQU-UHFFFAOYSA-N 0 3 386.374 3.063 20 30 GGEDHN CC(C)(O)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278581620 1435402113 /nfs/dbraw/zinc/40/21/13/1435402113.db2.gz FWALNQXJGJKASY-UHFFFAOYSA-N 0 3 375.476 3.376 20 30 GGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278587326 1435402670 /nfs/dbraw/zinc/40/26/70/1435402670.db2.gz YUSDPFDFIASHNL-MRXNPFEDSA-N 0 3 386.496 3.062 20 30 GGEDHN CCN(CC)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000278606917 1435404842 /nfs/dbraw/zinc/40/48/42/1435404842.db2.gz IIRTUAIMFIMRPU-UHFFFAOYSA-N 0 3 389.507 3.390 20 30 GGEDHN C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278751655 1435419949 /nfs/dbraw/zinc/41/99/49/1435419949.db2.gz AXRACRDEXWMGSR-MRXNPFEDSA-N 0 3 377.492 3.298 20 30 GGEDHN CC(C)Oc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1C#N ZINC000278830447 1435428512 /nfs/dbraw/zinc/42/85/12/1435428512.db2.gz JREDZSMBAXRSKD-INIZCTEOSA-N 0 3 386.496 3.062 20 30 GGEDHN CC(C)OC(=O)C[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278833800 1435428865 /nfs/dbraw/zinc/42/88/65/1435428865.db2.gz AFHWIRMTKLSQSP-GOSISDBHSA-N 0 3 395.507 3.412 20 30 GGEDHN CC[C@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C#N)cc1 ZINC000278841753 1435429892 /nfs/dbraw/zinc/42/98/92/1435429892.db2.gz UWBQLBGYYUOYIV-IBGZPJMESA-N 0 3 381.476 3.275 20 30 GGEDHN C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccsc2)N(CC)CC)n1 ZINC000279220798 1435473102 /nfs/dbraw/zinc/47/31/02/1435473102.db2.gz LRIDCDFWZKDTCN-IBGZPJMESA-N 0 3 387.553 3.192 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000280170876 1435602954 /nfs/dbraw/zinc/60/29/54/1435602954.db2.gz XPCRCAPXSCREAQ-HXUWFJFHSA-N 0 3 387.487 3.021 20 30 GGEDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000280332984 1435637710 /nfs/dbraw/zinc/63/77/10/1435637710.db2.gz RGSKMXDXIJJMLR-ROUUACIJSA-N 0 3 383.536 3.449 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 ZINC000280332983 1435637752 /nfs/dbraw/zinc/63/77/52/1435637752.db2.gz RGSKMXDXIJJMLR-QZTJIDSGSA-N 0 3 383.536 3.449 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(CC2CCC2)[C@H](C)CO)c1C#N ZINC000280569726 1435681591 /nfs/dbraw/zinc/68/15/91/1435681591.db2.gz RUZHERSVJDYNIZ-OAHLLOKOSA-N 0 3 398.507 3.039 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000280671015 1435701148 /nfs/dbraw/zinc/70/11/48/1435701148.db2.gz PWSRPILODNRACT-NQIIRXRSSA-N 0 3 386.540 3.240 20 30 GGEDHN Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000281285193 1435802365 /nfs/dbraw/zinc/80/23/65/1435802365.db2.gz MJUIYTCYEMZQLB-KRWDZBQOSA-N 0 3 375.432 3.356 20 30 GGEDHN CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000281352768 1435805036 /nfs/dbraw/zinc/80/50/36/1435805036.db2.gz WWVYTWSBWKGRDO-IFMALSPDSA-N 0 3 391.515 3.101 20 30 GGEDHN Cc1ccc([C@H](NCCCC2(C#N)CCOCC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000281410016 1435807798 /nfs/dbraw/zinc/80/77/98/1435807798.db2.gz RCAGFRNWRZYELS-IEBWSBKVSA-N 0 3 378.538 3.159 20 30 GGEDHN CN(C)CCN(Cc1cccs1)C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000281630895 1435816316 /nfs/dbraw/zinc/81/63/16/1435816316.db2.gz URJZBNNGESSJKT-UHFFFAOYSA-N 0 3 379.489 3.009 20 30 GGEDHN COc1cc(CN[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1C#N ZINC000281823006 1435823204 /nfs/dbraw/zinc/82/32/04/1435823204.db2.gz XCTQHFGXORBWID-MRXNPFEDSA-N 0 3 382.483 3.309 20 30 GGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282442648 1435847347 /nfs/dbraw/zinc/84/73/47/1435847347.db2.gz ZORMOFVOKVJSDO-INIZCTEOSA-N 0 3 389.569 3.086 20 30 GGEDHN CCS(=O)(=O)c1ccc([C@H](C)NCCOc2ccc(C#N)cc2OC)cc1 ZINC000284809703 1436051951 /nfs/dbraw/zinc/05/19/51/1436051951.db2.gz QFNUPYJACRZHPU-HNNXBMFYSA-N 0 3 388.489 3.090 20 30 GGEDHN C[C@@H]([NH2+]CCCN[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824590281 1442106817 /nfs/dbraw/zinc/10/68/17/1442106817.db2.gz AYRANGDILKTCTI-JKSUJKDBSA-N 0 3 375.480 3.130 20 30 GGEDHN C[C@@H]([NH2+]CCCN[C@@H](C)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824590281 1442106820 /nfs/dbraw/zinc/10/68/20/1442106820.db2.gz AYRANGDILKTCTI-JKSUJKDBSA-N 0 3 375.480 3.130 20 30 GGEDHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@@H]3C2)cn1 ZINC001164771325 721163957 /nfs/dbraw/zinc/16/39/57/721163957.db2.gz SAGJAWAHMVSKFX-SFTDATJTSA-N 0 3 393.611 3.002 20 30 GGEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@@H]3C2)cn1 ZINC001164771324 721165178 /nfs/dbraw/zinc/16/51/78/721165178.db2.gz SAGJAWAHMVSKFX-RTWAWAEBSA-N 0 3 393.611 3.002 20 30 GGEDHN Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900309 721513351 /nfs/dbraw/zinc/51/33/51/721513351.db2.gz QALVKJVFLNHBIY-NVXWUHKLSA-N 0 3 386.858 3.396 20 30 GGEDHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ncc1C#N ZINC001164905476 721699146 /nfs/dbraw/zinc/69/91/46/721699146.db2.gz JNMZHPUQYKMLSS-FQEVSTJZSA-N 0 3 383.446 3.394 20 30 GGEDHN Cc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1C#N ZINC001164907499 721701975 /nfs/dbraw/zinc/70/19/75/721701975.db2.gz UURJFZUTRRIFBO-FQEVSTJZSA-N 0 3 383.446 3.394 20 30 GGEDHN CC(C)c1ccc(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983908 722103517 /nfs/dbraw/zinc/10/35/17/722103517.db2.gz QYJWZCKFVCBVLP-IFMALSPDSA-N 0 3 391.519 3.199 20 30 GGEDHN N#Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164984994 722139413 /nfs/dbraw/zinc/13/94/13/722139413.db2.gz YRYKVFBCNKSDLT-XXBNENTESA-N 0 3 399.498 3.229 20 30 GGEDHN C=C(C)C[NH+]1CCC(Nc2ccc(Br)cc2-c2nnn[n-]2)CC1 ZINC000823878067 946498376 /nfs/dbraw/zinc/49/83/76/946498376.db2.gz NGSXNYRSWYRYGR-UHFFFAOYSA-N 0 3 377.290 3.082 20 30 GGEDHN C=C(C)C[NH+]1CCC(Nc2ccc(Br)cc2-c2nn[n-]n2)CC1 ZINC000823878067 946498382 /nfs/dbraw/zinc/49/83/82/946498382.db2.gz NGSXNYRSWYRYGR-UHFFFAOYSA-N 0 3 377.290 3.082 20 30 GGEDHN COc1ccccc1C[C@](C)(CO)NCc1ccc(C#N)cc1OC(F)F ZINC001648162336 1126250378 /nfs/dbraw/zinc/25/03/78/1126250378.db2.gz VXDZPOBRHBRWDC-HXUWFJFHSA-N 0 3 376.403 3.252 20 30 GGEDHN C[C@H](CCc1ccc(Br)cc1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597965 564196653 /nfs/dbraw/zinc/19/66/53/564196653.db2.gz KMMGXPHWAHCJBB-ACJLOTCBSA-N 0 3 386.293 3.458 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410347 564324193 /nfs/dbraw/zinc/32/41/93/564324193.db2.gz XUKRKNINYBKRPS-GUYCJALGSA-N 0 3 375.266 3.411 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000120895277 564342438 /nfs/dbraw/zinc/34/24/38/564342438.db2.gz NHLSRSSRTABMCB-UHFFFAOYSA-N 0 3 382.258 3.128 20 30 GGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000026328333 564345357 /nfs/dbraw/zinc/34/53/57/564345357.db2.gz SRGPSQVQDNAAGS-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN N#Cc1ccc(N2CCC(NCc3cc(O)ccc3Br)CC2)nc1 ZINC000127003888 564570266 /nfs/dbraw/zinc/57/02/66/564570266.db2.gz YBESBAFRCMRMPH-UHFFFAOYSA-N 0 3 387.281 3.180 20 30 GGEDHN COc1ccccc1C(=O)C(C(=S)[N-]CCSC)[n+]1cccc(C)c1 ZINC000131310911 564708691 /nfs/dbraw/zinc/70/86/91/564708691.db2.gz VFUKGKRARADIJT-UHFFFAOYSA-O 0 3 375.539 3.183 20 30 GGEDHN N#Cc1cc(S(=O)(=O)NC2CCN(CC3CCCC3)CC2)ccc1Cl ZINC000063311275 564716956 /nfs/dbraw/zinc/71/69/56/564716956.db2.gz NXDWFIMGOFJRTR-UHFFFAOYSA-N 0 3 381.929 3.145 20 30 GGEDHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000064957364 564737160 /nfs/dbraw/zinc/73/71/60/564737160.db2.gz INACXJVSFOQTEL-ZIAGYGMSSA-N 0 3 383.945 3.246 20 30 GGEDHN C=CCN(CC=C)C(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000065604338 564745637 /nfs/dbraw/zinc/74/56/37/564745637.db2.gz QMLVJNWEQZPIQR-UHFFFAOYSA-N 0 3 393.325 3.245 20 30 GGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C[C@H]2CCCCO2)[n+]2ccccc2)s1 ZINC000134137156 564794481 /nfs/dbraw/zinc/79/44/81/564794481.db2.gz VJHDZTRMFJSDIT-OAHLLOKOSA-O 0 3 375.539 3.442 20 30 GGEDHN CCN(CC)CCN(CC(=O)Nc1sccc1C#N)Cc1cccs1 ZINC000150862853 564894563 /nfs/dbraw/zinc/89/45/63/564894563.db2.gz KQRUQFQBNPKBOF-UHFFFAOYSA-N 0 3 376.551 3.464 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(I)c2)CC1 ZINC000106039715 564977162 /nfs/dbraw/zinc/97/71/62/564977162.db2.gz DEKNMZIIBQBQEL-UHFFFAOYSA-N 0 3 384.261 3.062 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(C)c2I)CC1 ZINC000106036370 564977221 /nfs/dbraw/zinc/97/72/21/564977221.db2.gz PGWRSQYUGFNBQZ-UHFFFAOYSA-N 0 3 398.288 3.370 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(I)ccc2C)CC1 ZINC000152976262 564979771 /nfs/dbraw/zinc/97/97/71/564979771.db2.gz MQWYUSIDZJJFKC-UHFFFAOYSA-N 0 3 398.288 3.370 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 ZINC000106349094 564981908 /nfs/dbraw/zinc/98/19/08/564981908.db2.gz ZZLGTJBBWAPFQR-UHFFFAOYSA-N 0 3 384.307 3.397 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2SC)CC1 ZINC000106348869 564982259 /nfs/dbraw/zinc/98/22/59/564982259.db2.gz JVNVLYKTZDZEAZ-UHFFFAOYSA-N 0 3 381.929 3.157 20 30 GGEDHN CN(Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1C#N ZINC000154123006 565026940 /nfs/dbraw/zinc/02/69/40/565026940.db2.gz CUJHLBZHWNQMGB-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN CC(C)(Cc1ccc(Br)cc1)NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000109818672 565031748 /nfs/dbraw/zinc/03/17/48/565031748.db2.gz OTULVIRJLWZWGW-GOSISDBHSA-N 0 3 378.314 3.168 20 30 GGEDHN CCN(C[C@H](C)C#N)C(=O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000111253032 565051843 /nfs/dbraw/zinc/05/18/43/565051843.db2.gz QFQYTBAOHAMMAA-CQSZACIVSA-N 0 3 380.330 3.368 20 30 GGEDHN CN(CCc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000112563180 565064410 /nfs/dbraw/zinc/06/44/10/565064410.db2.gz YFKNPDOZKRZGTQ-SFHVURJKSA-N 0 3 389.293 3.235 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000369204275 565080858 /nfs/dbraw/zinc/08/08/58/565080858.db2.gz OCDAWMSHAUXIRC-AZUAARDMSA-N 0 3 389.337 3.420 20 30 GGEDHN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000185726946 565218416 /nfs/dbraw/zinc/21/84/16/565218416.db2.gz MYJVOHUJNSYRDS-DZGCQCFKSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000185727000 565218978 /nfs/dbraw/zinc/21/89/78/565218978.db2.gz MYJVOHUJNSYRDS-HIFRSBDPSA-N 0 3 381.929 3.143 20 30 GGEDHN C=C(C)COCCNCc1cc(Br)cc(Br)c1N ZINC000185858440 565224607 /nfs/dbraw/zinc/22/46/07/565224607.db2.gz FIEYXOLMEGPJJL-UHFFFAOYSA-N 0 3 378.108 3.476 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCSC3(CCOCC3)C2)cc1Cl ZINC000186850772 565290326 /nfs/dbraw/zinc/29/03/26/565290326.db2.gz IHQCIPRKBFCPCR-UHFFFAOYSA-N 0 3 379.913 3.138 20 30 GGEDHN CC(C)N1CCN(C2CCN(c3ccc(Br)cc3C#N)CC2)CC1 ZINC000272802766 565297819 /nfs/dbraw/zinc/29/78/19/565297819.db2.gz DZJHNVOEYRHTJY-UHFFFAOYSA-N 0 3 391.357 3.316 20 30 GGEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1sccc1C#N ZINC000162524611 565319899 /nfs/dbraw/zinc/31/98/99/565319899.db2.gz HUCLDBLFHIISOC-KRWDZBQOSA-N 0 3 378.885 3.444 20 30 GGEDHN CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1N(C)C ZINC000273755899 565334472 /nfs/dbraw/zinc/33/44/72/565334472.db2.gz UKQOWHOKBWITDU-UKPHBRMFSA-N 0 3 378.567 3.448 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 ZINC000163960155 565353600 /nfs/dbraw/zinc/35/36/00/565353600.db2.gz ZLQPKXQHKNHRTP-UHFFFAOYSA-N 0 3 384.307 3.397 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297082841 565354794 /nfs/dbraw/zinc/35/47/94/565354794.db2.gz PCMUDFULSZWQEU-CYBMUJFWSA-N 0 3 376.448 3.395 20 30 GGEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1cccc(Br)c1 ZINC000298463002 565415381 /nfs/dbraw/zinc/41/53/81/565415381.db2.gz RSAYIPGWQKXXAT-QZTJIDSGSA-N 0 3 375.266 3.020 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(Br)c2COC)CC1 ZINC000171639362 565440430 /nfs/dbraw/zinc/44/04/30/565440430.db2.gz VIXYRAWQBPHWOS-UHFFFAOYSA-N 0 3 382.302 3.367 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000171725737 565446716 /nfs/dbraw/zinc/44/67/16/565446716.db2.gz KKPNSXPAENYLFI-UHFFFAOYSA-N 0 3 384.293 3.080 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCc3c2cccc3Br)CC1 ZINC000171733421 565447133 /nfs/dbraw/zinc/44/71/33/565447133.db2.gz RGQUISFUKWDKFH-KRWDZBQOSA-N 0 3 378.314 3.386 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(I)cc2)CC1 ZINC000171737332 565448136 /nfs/dbraw/zinc/44/81/36/565448136.db2.gz YWOAOAYTOZKFCG-UHFFFAOYSA-N 0 3 385.249 3.063 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(I)cc2C)CC1 ZINC000171741343 565448492 /nfs/dbraw/zinc/44/84/92/565448492.db2.gz PVIIBEILMQYZIR-UHFFFAOYSA-N 0 3 399.276 3.372 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2I)CC1 ZINC000171741304 565448526 /nfs/dbraw/zinc/44/85/26/565448526.db2.gz XCAOMZSFKRFKQF-UHFFFAOYSA-N 0 3 385.249 3.063 20 30 GGEDHN N#Cc1cc(Br)ccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000302058266 565528375 /nfs/dbraw/zinc/52/83/75/565528375.db2.gz BMFYMXOVRVFBJN-SFHVURJKSA-N 0 3 386.293 3.499 20 30 GGEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)cc1Br ZINC000278631430 565569214 /nfs/dbraw/zinc/56/92/14/565569214.db2.gz KXVMVVFSDOTDFF-CQSZACIVSA-N 0 3 378.314 3.006 20 30 GGEDHN N#C[C@@H]1CC[C@H](N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278704650 565573105 /nfs/dbraw/zinc/57/31/05/565573105.db2.gz UBAOFUGNOHGGFA-DOMZBBRYSA-N 0 3 377.286 3.187 20 30 GGEDHN N#C[C@@H]1CC[C@@H](N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278706693 565574432 /nfs/dbraw/zinc/57/44/32/565574432.db2.gz UBAOFUGNOHGGFA-IUODEOHRSA-N 0 3 377.286 3.187 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311023 565602614 /nfs/dbraw/zinc/60/26/14/565602614.db2.gz VZSZGFJJMIPDIU-LZWOXQAQSA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311018 565602974 /nfs/dbraw/zinc/60/29/74/565602974.db2.gz VZSZGFJJMIPDIU-IIAWOOMASA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981443 565604323 /nfs/dbraw/zinc/60/43/23/565604323.db2.gz BINSPPWPYOBGAF-CXAGYDPISA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981451 565604632 /nfs/dbraw/zinc/60/46/32/565604632.db2.gz BINSPPWPYOBGAF-SUMWQHHRSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430386 565609857 /nfs/dbraw/zinc/60/98/57/565609857.db2.gz STTQIIPJMQRIDF-ZNMIVQPWSA-N 0 3 381.929 3.238 20 30 GGEDHN Cc1cc(NC(=O)CNC(=O)C23CCCN2CCC3)ccc1Br ZINC000328797135 565642053 /nfs/dbraw/zinc/64/20/53/565642053.db2.gz VMRGAJQKJORHPN-UHFFFAOYSA-N 0 3 380.286 3.281 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(Cl)cc2OC)CC1 ZINC000192070523 565655641 /nfs/dbraw/zinc/65/56/41/565655641.db2.gz BTJJCFHCDAHRLQ-UHFFFAOYSA-N 0 3 387.705 3.491 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCN1C ZINC000329329493 565663544 /nfs/dbraw/zinc/66/35/44/565663544.db2.gz LBKDTSVGUAJPLM-ZJUUUORDSA-N 0 3 382.258 3.217 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc3sc(N4CCCC4)nc3s2)CC1 ZINC000280430792 565672064 /nfs/dbraw/zinc/67/20/64/565672064.db2.gz DNLWIQUCZLNQAY-UHFFFAOYSA-N 0 3 376.551 3.338 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CN1C1CC1 ZINC000329731563 565678361 /nfs/dbraw/zinc/67/83/61/565678361.db2.gz IHEPPDDYFKQNQB-ABAIWWIYSA-N 0 3 394.313 3.013 20 30 GGEDHN CC(C(=O)NCC1(c2cccc(Cl)c2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330103615 565692210 /nfs/dbraw/zinc/69/22/10/565692210.db2.gz GJXQIZQYCJRCFQ-CYBMUJFWSA-N 0 3 385.913 3.310 20 30 GGEDHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000175406424 565697629 /nfs/dbraw/zinc/69/76/29/565697629.db2.gz AHNKLZCKMHFMGT-ZJWNCGCPSA-N 0 3 375.519 3.379 20 30 GGEDHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000175406400 565697740 /nfs/dbraw/zinc/69/77/40/565697740.db2.gz AHNKLZCKMHFMGT-SHZVTRLKSA-N 0 3 375.519 3.379 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC2CCN(C3CCCCC3)CC2)cc1Cl ZINC000175418953 565698623 /nfs/dbraw/zinc/69/86/23/565698623.db2.gz LTVAWGMCBJHIQY-UHFFFAOYSA-N 0 3 381.929 3.287 20 30 GGEDHN COc1cc(Br)cc(NC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000330566116 565712608 /nfs/dbraw/zinc/71/26/08/565712608.db2.gz LZTWQKSRCDWSQW-HNNXBMFYSA-N 0 3 388.331 3.221 20 30 GGEDHN CN(C)C(=O)CCN1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000330677076 565717748 /nfs/dbraw/zinc/71/77/48/565717748.db2.gz UTEIJOPXUNCIPX-UHFFFAOYSA-N 0 3 387.311 3.262 20 30 GGEDHN CN(C)C(=O)CCN1CCC(NC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000330678207 565718279 /nfs/dbraw/zinc/71/82/79/565718279.db2.gz WDIDRDHSACPSEE-UHFFFAOYSA-N 0 3 387.311 3.262 20 30 GGEDHN CCOc1c(Cl)cc(NC(=O)NCC2(O)CCN(C)CC2)cc1Cl ZINC000330978940 565733541 /nfs/dbraw/zinc/73/35/41/565733541.db2.gz IPPNWYVUQIEIEV-UHFFFAOYSA-N 0 3 376.284 3.175 20 30 GGEDHN Cc1csc(C(=O)NC[C@@H](O)CN2CCC(C)CC2)c1Br ZINC000331110027 565738930 /nfs/dbraw/zinc/73/89/30/565738930.db2.gz BKEBIJFSIUIYAT-GFCCVEGCSA-N 0 3 375.332 3.216 20 30 GGEDHN C=CCN(C)CCN(CC)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000411637678 565740962 /nfs/dbraw/zinc/74/09/62/565740962.db2.gz GDOQAYVJRREXSP-UHFFFAOYSA-N 0 3 393.329 3.363 20 30 GGEDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc(Br)c(Cl)c1 ZINC000331360592 565756226 /nfs/dbraw/zinc/75/62/26/565756226.db2.gz XZSZTEILVMQOHP-LBPRGKRZSA-N 0 3 375.694 3.254 20 30 GGEDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(Br)c(Cl)c1 ZINC000331360591 565756592 /nfs/dbraw/zinc/75/65/92/565756592.db2.gz XZSZTEILVMQOHP-GFCCVEGCSA-N 0 3 375.694 3.254 20 30 GGEDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc(Cl)cc1Br ZINC000331357499 565756717 /nfs/dbraw/zinc/75/67/17/565756717.db2.gz UABOHYFEWSDYHQ-LBPRGKRZSA-N 0 3 375.694 3.254 20 30 GGEDHN C=CCOc1c(Br)cc(CNCC2([S@](C)=O)CC2)cc1OC ZINC000282201346 565768976 /nfs/dbraw/zinc/76/89/76/565768976.db2.gz CRVVPFRWPIGNAF-QFIPXVFZSA-N 0 3 388.327 3.023 20 30 GGEDHN CC1([N-]C(=S)C(C(=O)c2cccc(Cl)c2)[n+]2cccc(CO)c2)CC1 ZINC000284083346 565840918 /nfs/dbraw/zinc/84/09/18/565840918.db2.gz KNNBMPISKVPRJF-UHFFFAOYSA-O 0 3 375.901 3.201 20 30 GGEDHN Cc1nsc(NC(=O)NCC2(N3CCSCC3)CCCCC2)c1C#N ZINC000333692873 565892552 /nfs/dbraw/zinc/89/25/52/565892552.db2.gz CFLUIDZPLQGZNB-UHFFFAOYSA-N 0 3 379.555 3.196 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3ccsc3C2)cc1 ZINC000287147081 566001442 /nfs/dbraw/zinc/00/14/42/566001442.db2.gz MAQKGHXFOLKFQU-GFCCVEGCSA-N 0 3 375.475 3.024 20 30 GGEDHN C[C@](Cc1cccc(Br)c1)(NCC(=O)NCC#N)c1ccccc1 ZINC000179962051 566021741 /nfs/dbraw/zinc/02/17/41/566021741.db2.gz NSOXTAUXBPDONJ-LJQANCHMSA-N 0 3 386.293 3.136 20 30 GGEDHN C=CCOc1c(Br)cc(CNCC(C)(C)C(=O)OC)cc1OC ZINC000180039309 566026582 /nfs/dbraw/zinc/02/65/82/566026582.db2.gz NHSKKPZBVIVTDY-UHFFFAOYSA-N 0 3 386.286 3.311 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000287617450 566030294 /nfs/dbraw/zinc/03/02/94/566030294.db2.gz HSPXQKPOQROACB-UHFFFAOYSA-N 0 3 390.285 3.164 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000287677468 566033703 /nfs/dbraw/zinc/03/37/03/566033703.db2.gz LKWKVHUSCOMFNF-KRWDZBQOSA-N 0 3 386.323 3.367 20 30 GGEDHN N#Cc1cccc(OCCN2CCC(n3cc(Br)cn3)CC2)c1 ZINC000364528496 566056472 /nfs/dbraw/zinc/05/64/72/566056472.db2.gz HUGLDTAKECUETA-UHFFFAOYSA-N 0 3 375.270 3.233 20 30 GGEDHN C=C(C)CN(CC)C(=O)CNC(C)(C)COc1ncccc1Br ZINC000180394421 566060185 /nfs/dbraw/zinc/06/01/85/566060185.db2.gz VHCFFPDGNNAAMD-UHFFFAOYSA-N 0 3 384.318 3.016 20 30 GGEDHN C[C@H](C#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000416482794 566073857 /nfs/dbraw/zinc/07/38/57/566073857.db2.gz ZVXWEMQIBLGNGL-KPVZCZOYSA-N 0 3 381.929 3.085 20 30 GGEDHN C[C@H]1C[C@@H](NCCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866868 566095467 /nfs/dbraw/zinc/09/54/67/566095467.db2.gz ZPVQEZMOFAESRQ-FCXKHPDRSA-N 0 3 390.281 3.113 20 30 GGEDHN C[C@@H]1C[C@@H](NCCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866854 566095579 /nfs/dbraw/zinc/09/55/79/566095579.db2.gz ZPVQEZMOFAESRQ-UOXMJMQQSA-N 0 3 390.281 3.113 20 30 GGEDHN C=C(C)CN(C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000181044423 566108048 /nfs/dbraw/zinc/10/80/48/566108048.db2.gz FIKKAEFTNDVZMJ-UHFFFAOYSA-N 0 3 399.329 3.323 20 30 GGEDHN C#CCN(C(=O)C1CCN(C)CC1)[C@H]1CCOc2ccc(Br)cc21 ZINC000365694996 566114972 /nfs/dbraw/zinc/11/49/72/566114972.db2.gz HBPYTOPMXATUDV-KRWDZBQOSA-N 0 3 391.309 3.076 20 30 GGEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000181436841 566141094 /nfs/dbraw/zinc/14/10/94/566141094.db2.gz ACLFYCYZRGWFQI-SFHVURJKSA-N 0 3 378.314 3.058 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022930 566177921 /nfs/dbraw/zinc/17/79/21/566177921.db2.gz NQWIIQOKQWCCCF-CZUORRHYSA-N 0 3 375.266 3.411 20 30 GGEDHN CC(C)N1CCN(C2CCN(c3cccc(Br)c3C#N)CC2)CC1 ZINC000290900968 566194552 /nfs/dbraw/zinc/19/45/52/566194552.db2.gz FCSDRWOJYBVJJU-UHFFFAOYSA-N 0 3 391.357 3.316 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OC)c(Br)c2)CC1 ZINC000264384153 566214040 /nfs/dbraw/zinc/21/40/40/566214040.db2.gz MGERHGCZRMHNRP-UHFFFAOYSA-N 0 3 396.329 3.297 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)CCc2cccc(Br)c2)CC1 ZINC000291337281 566215423 /nfs/dbraw/zinc/21/54/23/566215423.db2.gz WHPRWZJXBVVIBG-UHFFFAOYSA-N 0 3 380.330 3.283 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000182645562 566218220 /nfs/dbraw/zinc/21/82/20/566218220.db2.gz OFVDWFGFNFQBAR-UHFFFAOYSA-N 0 3 383.901 3.497 20 30 GGEDHN N#CCCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000291714981 566231571 /nfs/dbraw/zinc/23/15/71/566231571.db2.gz PAZAVEQMGJPICR-UHFFFAOYSA-N 0 3 394.313 3.102 20 30 GGEDHN CN1CCN(CC2(C)CCN(c3cccc(Br)c3C#N)CC2)CC1 ZINC000368177262 566232325 /nfs/dbraw/zinc/23/23/25/566232325.db2.gz PGFJPWQMZLAXTF-UHFFFAOYSA-N 0 3 391.357 3.175 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000183016637 566234832 /nfs/dbraw/zinc/23/48/32/566234832.db2.gz GYLSXKGYDIHXNJ-KGLIPLIRSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000183024619 566235037 /nfs/dbraw/zinc/23/50/37/566235037.db2.gz GGBAUDXVXQNUJA-HIFRSBDPSA-N 0 3 381.929 3.143 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481745933 566250954 /nfs/dbraw/zinc/25/09/54/566250954.db2.gz DUWHYRKRQCCUBJ-KRWDZBQOSA-N 0 3 382.277 3.391 20 30 GGEDHN Cc1cc(CNC[C@@H](O)COc2ccc(C#N)cc2)ccc1Br ZINC000575117577 566252155 /nfs/dbraw/zinc/25/21/55/566252155.db2.gz WGWCUHNTKBUIPF-MRXNPFEDSA-N 0 3 375.266 3.159 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000555880078 566256763 /nfs/dbraw/zinc/25/67/63/566256763.db2.gz RRYKVSOOOCFWDJ-UHFFFAOYSA-N 0 3 396.285 3.436 20 30 GGEDHN N#Cc1ccc(CNCCOc2ccc(I)cc2)cc1 ZINC000509431085 566304046 /nfs/dbraw/zinc/30/40/46/566304046.db2.gz TXRAPKVNPIMCBM-UHFFFAOYSA-N 0 3 378.213 3.331 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCC[C@H]1Cc1ccccc1Br ZINC000420977850 566333254 /nfs/dbraw/zinc/33/32/54/566333254.db2.gz SOANKPGXEPGCPX-INIZCTEOSA-N 0 3 378.314 3.218 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCC[C@H]2O)CC1 ZINC000576520333 566353923 /nfs/dbraw/zinc/35/39/23/566353923.db2.gz LRYHLYKPSJZQSB-QXAKKESOSA-N 0 3 392.341 3.182 20 30 GGEDHN Cc1cc(Br)ccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600724242 566360655 /nfs/dbraw/zinc/36/06/55/566360655.db2.gz GIOIPWQKUPKTHJ-KRWDZBQOSA-N 0 3 375.266 3.159 20 30 GGEDHN Cc1ccc(Br)cc1CNC[C@H](O)COc1ccccc1C#N ZINC000600732721 566361354 /nfs/dbraw/zinc/36/13/54/566361354.db2.gz DTOBHICJNITCPM-KRWDZBQOSA-N 0 3 375.266 3.159 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2Br)cc1F ZINC000421385588 566370394 /nfs/dbraw/zinc/37/03/94/566370394.db2.gz LPOMICZNLUPKJY-AWEZNQCLSA-N 0 3 377.257 3.401 20 30 GGEDHN N#Cc1ccc2c(c1)[C@@H](NCCNC(=O)c1ccc(Br)cc1)CC2 ZINC000577905587 566474667 /nfs/dbraw/zinc/47/46/67/566474667.db2.gz BHKHOIBHBPEUNH-SFHVURJKSA-N 0 3 384.277 3.328 20 30 GGEDHN C[C@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000602519987 566475839 /nfs/dbraw/zinc/47/58/39/566475839.db2.gz CIMNCSDGVDUASE-ZIAGYGMSSA-N 0 3 387.307 3.422 20 30 GGEDHN CN(C)[C@H](CNC(=O)c1ccc(Br)cc1C#N)Cc1ccccc1 ZINC000448609032 566481546 /nfs/dbraw/zinc/48/15/46/566481546.db2.gz YREBRWNTZYBUDJ-KRWDZBQOSA-N 0 3 386.293 3.223 20 30 GGEDHN CN(C)[C@@H](CNC(=O)c1cccc(C#N)c1Br)Cc1ccccc1 ZINC000448608710 566482286 /nfs/dbraw/zinc/48/22/86/566482286.db2.gz XBALIDFMWXYBSO-MRXNPFEDSA-N 0 3 386.293 3.223 20 30 GGEDHN N#CC1(CCCN2CC[C@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000602888507 566498487 /nfs/dbraw/zinc/49/84/87/566498487.db2.gz VCYBVNXPXMONIK-INIZCTEOSA-N 0 3 394.313 3.398 20 30 GGEDHN N#CC1(CCCN2CC[C@@H](Oc3cncc(Br)c3)C2)CCOCC1 ZINC000602888512 566498747 /nfs/dbraw/zinc/49/87/47/566498747.db2.gz VCYBVNXPXMONIK-MRXNPFEDSA-N 0 3 394.313 3.398 20 30 GGEDHN Cc1[nH]c(C#N)cc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000448816701 566499929 /nfs/dbraw/zinc/49/99/29/566499929.db2.gz SOYHFRCPLQJXNY-UHFFFAOYSA-N 0 3 389.297 3.161 20 30 GGEDHN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424076050 566509036 /nfs/dbraw/zinc/50/90/36/566509036.db2.gz KWHWZEMCSACIIK-CQSZACIVSA-N 0 3 385.295 3.192 20 30 GGEDHN N#Cc1cccc(C(=O)N2CCC[C@H]2CN2CCCCC2)c1Br ZINC000448890876 566509392 /nfs/dbraw/zinc/50/93/92/566509392.db2.gz NFUBLAGUWPTSNJ-HNNXBMFYSA-N 0 3 376.298 3.411 20 30 GGEDHN COc1ccc(Br)cc1[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424109438 566512517 /nfs/dbraw/zinc/51/25/17/566512517.db2.gz AKUJZIQLYAPUOE-GJZGRUSLSA-N 0 3 380.286 3.142 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424135369 566514404 /nfs/dbraw/zinc/51/44/04/566514404.db2.gz JIDKLFPDMITXQX-YVLXSGLVSA-N 0 3 382.327 3.369 20 30 GGEDHN CCc1c(NC(=O)[C@@H](N)CCCC#N)n[nH]c1-c1ccc(Br)cc1 ZINC000424143676 566514774 /nfs/dbraw/zinc/51/47/74/566514774.db2.gz RCVSCVOZONQYQJ-AWEZNQCLSA-N 0 3 390.285 3.361 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000424125619 566514849 /nfs/dbraw/zinc/51/48/49/566514849.db2.gz OGNDAGMOFHHWTP-MRXNPFEDSA-N 0 3 378.314 3.398 20 30 GGEDHN N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000424203717 566520005 /nfs/dbraw/zinc/52/00/05/566520005.db2.gz RMRBEKZDFFEJIT-SJORKVTESA-N 0 3 378.314 3.394 20 30 GGEDHN C=CCn1cc(CN[C@@H](C)CCc2ccc(I)cc2)nn1 ZINC000424298032 566527378 /nfs/dbraw/zinc/52/73/78/566527378.db2.gz RULPIMACZVAHAZ-ZDUSSCGKSA-N 0 3 396.276 3.180 20 30 GGEDHN N#CCCOCCN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000559144170 566529493 /nfs/dbraw/zinc/52/94/93/566529493.db2.gz HVMCETOISKLKPV-UHFFFAOYSA-N 0 3 380.286 3.030 20 30 GGEDHN Cc1oc(Br)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000424616745 566546964 /nfs/dbraw/zinc/54/69/64/566546964.db2.gz NAHMWKDXYYZDEH-UHFFFAOYSA-N 0 3 390.281 3.426 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Oc2cccc(Br)c2)CC1 ZINC000465856688 566550355 /nfs/dbraw/zinc/55/03/55/566550355.db2.gz DFPNVQITRVJEMV-CQSZACIVSA-N 0 3 396.329 3.166 20 30 GGEDHN N#CCCCOc1cccc(CNCCn2cc(Br)ccc2=O)c1 ZINC000449372942 566554958 /nfs/dbraw/zinc/55/49/58/566554958.db2.gz AUKMXWVZLKESPR-UHFFFAOYSA-N 0 3 390.281 3.083 20 30 GGEDHN Cc1cc(CNCCNS(=O)(=O)c2cccc(Cl)c2Cl)ccc1C#N ZINC000512862274 566563853 /nfs/dbraw/zinc/56/38/53/566563853.db2.gz SPMVAXYOTQKELG-UHFFFAOYSA-N 0 3 398.315 3.242 20 30 GGEDHN N#Cc1ncn(CCNCc2ccc(-c3ccc(Br)cc3)s2)n1 ZINC000512903937 566567801 /nfs/dbraw/zinc/56/78/01/566567801.db2.gz JXUJXFOCOLGXOS-UHFFFAOYSA-N 0 3 388.294 3.431 20 30 GGEDHN C=CCC[C@@H](NCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000539335795 566576063 /nfs/dbraw/zinc/57/60/63/566576063.db2.gz MRHJAPFGNHNAQH-MRXNPFEDSA-N 0 3 376.444 3.338 20 30 GGEDHN CCN(c1ccc(C#N)c(Cl)c1)S(=O)(=O)c1ccc(CN(C)C)cc1 ZINC000559962388 566579304 /nfs/dbraw/zinc/57/93/04/566579304.db2.gz RSPFFTCHCZWFAZ-UHFFFAOYSA-N 0 3 377.897 3.488 20 30 GGEDHN COc1ccc(Br)cc1C[C@H](CO)CNCc1ccc(C#N)s1 ZINC000449685489 566592786 /nfs/dbraw/zinc/59/27/86/566592786.db2.gz UVSVESPPASUGLW-LBPRGKRZSA-N 0 3 395.322 3.332 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000449686490 566592831 /nfs/dbraw/zinc/59/28/31/566592831.db2.gz YSCFWWNSZIQSCQ-LBPRGKRZSA-N 0 3 383.286 3.462 20 30 GGEDHN CCN1CCN(C[C@@H](C)CNc2cc(Br)c(C#N)cc2F)CC1 ZINC000579414775 566607985 /nfs/dbraw/zinc/60/79/85/566607985.db2.gz UCBUEXVQIKIJDD-ZDUSSCGKSA-N 0 3 383.309 3.145 20 30 GGEDHN CCN1CCN(C[C@H](C)CNc2cc(Br)c(C#N)cc2F)CC1 ZINC000579414773 566608065 /nfs/dbraw/zinc/60/80/65/566608065.db2.gz UCBUEXVQIKIJDD-CYBMUJFWSA-N 0 3 383.309 3.145 20 30 GGEDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505658 566651585 /nfs/dbraw/zinc/65/15/85/566651585.db2.gz BVRSLTDRZSAPJC-VDNDLQMASA-N 0 3 377.282 3.330 20 30 GGEDHN CC(C#N)C(=O)N(CC(=O)Nc1ccccc1Br)Cc1ccco1 ZINC000468193458 566688564 /nfs/dbraw/zinc/68/85/64/566688564.db2.gz UXFJIUDMBIJRDA-LBPRGKRZSA-N 0 3 390.237 3.169 20 30 GGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000580510198 566699718 /nfs/dbraw/zinc/69/97/18/566699718.db2.gz CBPCVWZMOCHTKS-ZBFHGGJFSA-N 0 3 390.325 3.264 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(Br)c3c2OCCC3)CC1 ZINC000426353949 566706308 /nfs/dbraw/zinc/70/63/08/566706308.db2.gz XIPYOKMVVZBTCO-UHFFFAOYSA-N 0 3 379.298 3.154 20 30 GGEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC000515559472 566720866 /nfs/dbraw/zinc/72/08/66/566720866.db2.gz QMEWMURDCIUFAD-CHWSQXEVSA-N 0 3 393.333 3.141 20 30 GGEDHN C=C[C@](C)(O)CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000426781517 566728946 /nfs/dbraw/zinc/72/89/46/566728946.db2.gz AMGPFGDXYKBEAS-IBGZPJMESA-N 0 3 395.341 3.199 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)cn2CC)n1 ZINC000608865808 566738773 /nfs/dbraw/zinc/73/87/73/566738773.db2.gz VFESYMHHURVMFF-SNVBAGLBSA-N 0 3 396.266 3.394 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000561786428 566740295 /nfs/dbraw/zinc/74/02/95/566740295.db2.gz FLEFWJCMOFWYAO-INIZCTEOSA-N 0 3 382.957 3.074 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(Br)s2)cc1 ZINC000516050495 566743681 /nfs/dbraw/zinc/74/36/81/566743681.db2.gz VDAQMRBDVHEGTQ-BPLDGKMQSA-N 0 3 393.306 3.268 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](OC)c2ccccc2Br)CC1 ZINC000654747882 566750985 /nfs/dbraw/zinc/75/09/85/566750985.db2.gz PAHFYACIKKBFKD-KRWDZBQOSA-N 0 3 381.314 3.293 20 30 GGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000469033514 566755145 /nfs/dbraw/zinc/75/51/45/566755145.db2.gz VRHHYYBYMHFKRP-YVEFUNNKSA-N 0 3 376.865 3.109 20 30 GGEDHN C=CCN1CCC(NC(=O)CSCc2ccc(Br)cc2)CC1 ZINC000609266565 566756073 /nfs/dbraw/zinc/75/60/73/566756073.db2.gz NQESJFJGGZBWPY-UHFFFAOYSA-N 0 3 383.355 3.449 20 30 GGEDHN N#CCc1ccc(S(=O)(=O)NC2CCN(C3CCCC3)CC2)c(Cl)c1 ZINC000451284118 566788037 /nfs/dbraw/zinc/78/80/37/566788037.db2.gz JQJUDTQWJUNCEL-UHFFFAOYSA-N 0 3 381.929 3.091 20 30 GGEDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306958 566792422 /nfs/dbraw/zinc/79/24/22/566792422.db2.gz TWPYWGJPUOAZGX-KFWWJZLASA-N 0 3 383.945 3.051 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(OC)ccc2Br)CC1 ZINC000517317309 566819584 /nfs/dbraw/zinc/81/95/84/566819584.db2.gz DXOHAXPCOFKVDW-UHFFFAOYSA-N 0 3 396.329 3.297 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC[C@@H](O)CN(C)CCC#N ZINC000562985413 566841897 /nfs/dbraw/zinc/84/18/97/566841897.db2.gz RBMBWHONGJXMLL-MRRJBJDNSA-N 0 3 398.370 3.028 20 30 GGEDHN Cc1cc(CNC[C@H](O)COc2ccc(CC#N)cc2)ccc1Br ZINC000517733189 566844175 /nfs/dbraw/zinc/84/41/75/566844175.db2.gz XAEMVWWPPLYKRF-KRWDZBQOSA-N 0 3 389.293 3.353 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cccc(Br)c2)c(F)c1 ZINC000428533418 566852556 /nfs/dbraw/zinc/85/25/56/566852556.db2.gz GZISTXYBDWETJX-OAHLLOKOSA-N 0 3 377.257 3.401 20 30 GGEDHN CC(C#N)C(=O)N1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000490478984 566856548 /nfs/dbraw/zinc/85/65/48/566856548.db2.gz JKBHJMBOFSLCFU-LLVKDONJSA-N 0 3 389.253 3.365 20 30 GGEDHN N#Cc1ccc(O[C@H]2CCN(CCOc3cccc(Br)c3)C2)nc1 ZINC000428776841 566875613 /nfs/dbraw/zinc/87/56/13/566875613.db2.gz GECPKPVQDNYYLR-KRWDZBQOSA-N 0 3 388.265 3.248 20 30 GGEDHN N#Cc1cccc(OCCN[C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000428992194 566896222 /nfs/dbraw/zinc/89/62/22/566896222.db2.gz AJAQCEAAZYKRTO-KRWDZBQOSA-N 0 3 379.229 3.162 20 30 GGEDHN N#CC1(CCCN[C@@H](CO)c2ccc(Br)c(F)c2)CCOCC1 ZINC000429026501 566903249 /nfs/dbraw/zinc/90/32/49/566903249.db2.gz YQPFFIVSCLIHPV-INIZCTEOSA-N 0 3 385.277 3.312 20 30 GGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Cl)c(C)cc1Br ZINC000656532422 566912321 /nfs/dbraw/zinc/91/23/21/566912321.db2.gz FPPNQSJLCJBYHW-JTQLQIEISA-N 0 3 394.718 3.016 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1Br ZINC000470883862 566912557 /nfs/dbraw/zinc/91/25/57/566912557.db2.gz SOGNZECMFHIHCU-MRXNPFEDSA-N 0 3 398.260 3.328 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Br)c(F)c2)cc1 ZINC000470888995 566912655 /nfs/dbraw/zinc/91/26/55/566912655.db2.gz OOSRBBPXWOXMFX-HNNXBMFYSA-N 0 3 386.224 3.459 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)cc1Br ZINC000470883861 566912973 /nfs/dbraw/zinc/91/29/73/566912973.db2.gz SOGNZECMFHIHCU-INIZCTEOSA-N 0 3 398.260 3.328 20 30 GGEDHN COc1ccc(Br)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470893543 566913387 /nfs/dbraw/zinc/91/33/87/566913387.db2.gz ZPQPTGGVTDKGNV-HNNXBMFYSA-N 0 3 398.260 3.328 20 30 GGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCN(C)C1CC1 ZINC000491829593 566917562 /nfs/dbraw/zinc/91/75/62/566917562.db2.gz FTICRPGORWNXKP-UHFFFAOYSA-N 0 3 384.293 3.380 20 30 GGEDHN C[C@H](N[C@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280377 566918115 /nfs/dbraw/zinc/91/81/15/566918115.db2.gz YLRVAZJBXXSACL-LRDDRELGSA-N 0 3 378.314 3.423 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429280062 566918886 /nfs/dbraw/zinc/91/88/86/566918886.db2.gz WWZJSUJUEZTRDN-QGZVFWFLSA-N 0 3 378.314 3.424 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429360950 566927148 /nfs/dbraw/zinc/92/71/48/566927148.db2.gz CDGJFJKAKLSKNW-ABAIWWIYSA-N 0 3 394.313 3.062 20 30 GGEDHN CCN(CCC#N)C(=O)CN[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429371449 566927520 /nfs/dbraw/zinc/92/75/20/566927520.db2.gz YWVGZBJTSVXNEV-KRWDZBQOSA-N 0 3 378.314 3.424 20 30 GGEDHN C[C@](C#N)(NC(=O)CN[C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364214 566927553 /nfs/dbraw/zinc/92/75/53/566927553.db2.gz FUYZLWZBZNOVET-PKOBYXMFSA-N 0 3 390.325 3.471 20 30 GGEDHN C[C@](C#N)(NC(=O)CN[C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364207 566927565 /nfs/dbraw/zinc/92/75/65/566927565.db2.gz FUYZLWZBZNOVET-IEBWSBKVSA-N 0 3 390.325 3.471 20 30 GGEDHN C[C@@H](N[C@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376211 566927576 /nfs/dbraw/zinc/92/75/76/566927576.db2.gz JICIYCHNMIITMW-WBMJQRKESA-N 0 3 378.314 3.423 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)CC1 ZINC000519271105 566929520 /nfs/dbraw/zinc/92/95/20/566929520.db2.gz SBZPOTXPCLXPJC-UHFFFAOYSA-N 0 3 389.297 3.219 20 30 GGEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000492353346 566932078 /nfs/dbraw/zinc/93/20/78/566932078.db2.gz CDVJZQHYUYGZHZ-UHFFFAOYSA-N 0 3 383.945 3.487 20 30 GGEDHN C[C@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN(C2CCC2)C1 ZINC000452327387 566962312 /nfs/dbraw/zinc/96/23/12/566962312.db2.gz OVNIFALIYNCQID-CYBMUJFWSA-N 0 3 376.298 3.267 20 30 GGEDHN N#Cc1cnn2cc(CNC3(Cc4ccccc4Br)CC3)cnc12 ZINC000583565249 566963638 /nfs/dbraw/zinc/96/36/38/566963638.db2.gz XFPGBXBZDXLWDZ-UHFFFAOYSA-N 0 3 382.265 3.228 20 30 GGEDHN C[C@H]1C[C@H]1N1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338360 566965222 /nfs/dbraw/zinc/96/52/22/566965222.db2.gz AVTVWHIRIZAIIN-GDZNZVCISA-N 0 3 376.298 3.123 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000429927619 566967132 /nfs/dbraw/zinc/96/71/32/566967132.db2.gz CIFOPVFJBNIBGF-GFCCVEGCSA-N 0 3 377.853 3.347 20 30 GGEDHN CSC1(CNC(=O)Nc2ccc(C#N)c(Br)c2)CCN(C)CC1 ZINC000564439918 566975854 /nfs/dbraw/zinc/97/58/54/566975854.db2.gz WNYBJTVTWRSUDM-UHFFFAOYSA-N 0 3 397.342 3.270 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000471804780 566978307 /nfs/dbraw/zinc/97/83/07/566978307.db2.gz NUKYCLBKXXKLEJ-WMLDXEAASA-N 0 3 396.304 3.394 20 30 GGEDHN COc1cc(CNCC2(CC#N)CC2)cc(I)c1OC ZINC000430038162 566978542 /nfs/dbraw/zinc/97/85/42/566978542.db2.gz VMULCQMUMGQTQM-UHFFFAOYSA-N 0 3 386.233 3.092 20 30 GGEDHN N#CC(C(=O)c1cc(Br)cc(Br)c1)c1ccncn1 ZINC000544817116 566996793 /nfs/dbraw/zinc/99/67/93/566996793.db2.gz KYAAZZWCGQVBLW-NSHDSACASA-N 0 3 381.027 3.492 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 ZINC000430570011 567020595 /nfs/dbraw/zinc/02/05/95/567020595.db2.gz YNTHZCAYWPWNJX-DOTOQJQBSA-N 0 3 378.314 3.255 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@@H]2CCCNC2=O)cc1OCC ZINC000657288163 567045315 /nfs/dbraw/zinc/04/53/15/567045315.db2.gz TXSKNXTWPILAMO-AWEZNQCLSA-N 0 3 397.313 3.028 20 30 GGEDHN C[C@@H]1COCCN1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584538306 567052722 /nfs/dbraw/zinc/05/27/22/567052722.db2.gz LWLYGEXQUGXWAL-CQSZACIVSA-N 0 3 378.314 3.006 20 30 GGEDHN N#Cc1cccc(C2(NC[C@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000584545065 567052883 /nfs/dbraw/zinc/05/28/83/567052883.db2.gz KDJXHEYQOTYRDQ-KRWDZBQOSA-N 0 3 387.277 3.339 20 30 GGEDHN C=C(C)[C@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000565392260 567063939 /nfs/dbraw/zinc/06/39/39/567063939.db2.gz DXZBBAROXSQPKT-CXAGYDPISA-N 0 3 377.286 3.101 20 30 GGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1(CC#N)CC1 ZINC000431196922 567065115 /nfs/dbraw/zinc/06/51/15/567065115.db2.gz NGAAZDKRMNRFEV-UHFFFAOYSA-N 0 3 393.329 3.216 20 30 GGEDHN C=CCC1(NCc2cn(-c3ccccc3Br)nn2)CCOCC1 ZINC000657635198 567078410 /nfs/dbraw/zinc/07/84/10/567078410.db2.gz ZBDXBYKJXIQXPS-UHFFFAOYSA-N 0 3 377.286 3.245 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@@]2(C)CCC(=O)N2)cc1OCC ZINC000453588742 567094347 /nfs/dbraw/zinc/09/43/47/567094347.db2.gz LUJLSBWQUGSANO-GOSISDBHSA-N 0 3 397.313 3.171 20 30 GGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000588313468 567125050 /nfs/dbraw/zinc/12/50/50/567125050.db2.gz WCSXHEATRHVPMW-CABCVRRESA-N 0 3 377.286 3.411 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000588978440 567148506 /nfs/dbraw/zinc/14/85/06/567148506.db2.gz ISGYUJBLOKQMIC-YXJHDRRASA-N 0 3 376.298 3.057 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(C#N)cc3Br)[C@H]2C1 ZINC000588979303 567148874 /nfs/dbraw/zinc/14/88/74/567148874.db2.gz KUBGVAWRPJABHF-XYJFISCASA-N 0 3 376.298 3.057 20 30 GGEDHN N#CC(C(=O)c1ccc(I)c(Cl)c1)c1ccncn1 ZINC000546859824 567167129 /nfs/dbraw/zinc/16/71/29/567167129.db2.gz QWDRQQXZYANOGY-SECBINFHSA-N 0 3 383.576 3.225 20 30 GGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccccc1Br)CC2 ZINC000589341476 567176285 /nfs/dbraw/zinc/17/62/85/567176285.db2.gz KOQVTTNXBAYYEI-CRAIPNDOSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@@H](O)COc1ccccc1Br)CC2 ZINC000589341479 567176379 /nfs/dbraw/zinc/17/63/79/567176379.db2.gz KOQVTTNXBAYYEI-QAPCUYQASA-N 0 3 387.277 3.338 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C)c(I)c2)nc(C)n1 ZINC000524433940 567199782 /nfs/dbraw/zinc/19/97/82/567199782.db2.gz WKDDCYWNHLIASK-CYBMUJFWSA-N 0 3 391.212 3.497 20 30 GGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000590416182 567225567 /nfs/dbraw/zinc/22/55/67/567225567.db2.gz ZKFDAQOTPNOYJQ-SJLPKXTDSA-N 0 3 387.277 3.371 20 30 GGEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303731 567240834 /nfs/dbraw/zinc/24/08/34/567240834.db2.gz LZCLKHJPEXLBST-GDBMZVCRSA-N 0 3 378.314 3.074 20 30 GGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306458 567242371 /nfs/dbraw/zinc/24/23/71/567242371.db2.gz SDGIGRKBPDNLNK-NVXWUHKLSA-N 0 3 392.341 3.322 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(I)c(C)cc2C)CC1 ZINC000475635541 567264045 /nfs/dbraw/zinc/26/40/45/567264045.db2.gz BMRDOBYFDCGLMN-UHFFFAOYSA-N 0 3 398.288 3.288 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CNCCOc2cccc(Cl)c2Cl)cc1 ZINC000567681478 567267783 /nfs/dbraw/zinc/26/77/83/567267783.db2.gz SUDHCFGWRFOVQH-CQSZACIVSA-N 0 3 381.259 3.273 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CNCc2cccc(Br)c2)cc1 ZINC000591724907 567292285 /nfs/dbraw/zinc/29/22/85/567292285.db2.gz PIBVIQWUEUQDFJ-QGZVFWFLSA-N 0 3 375.266 3.045 20 30 GGEDHN N#CC1(NC(=O)CN[C@@H](c2ccc(Br)cc2)C2CCC2)CCC1 ZINC000526136155 567294831 /nfs/dbraw/zinc/29/48/31/567294831.db2.gz RUAQVGFPRQIBLO-QGZVFWFLSA-N 0 3 376.298 3.442 20 30 GGEDHN CC(C)(CC#N)CNC[C@H](O)COc1ccc(Cl)cc1Br ZINC000591770366 567296788 /nfs/dbraw/zinc/29/67/88/567296788.db2.gz YUFUKLFAALQFHY-LBPRGKRZSA-N 0 3 375.694 3.372 20 30 GGEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000568105086 567306175 /nfs/dbraw/zinc/30/61/75/567306175.db2.gz NZYCGZOGSRWJQM-CQSZACIVSA-N 0 3 378.314 3.006 20 30 GGEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(Br)cc2C#N)CC1 ZINC000568105085 567306269 /nfs/dbraw/zinc/30/62/69/567306269.db2.gz NZYCGZOGSRWJQM-AWEZNQCLSA-N 0 3 378.314 3.006 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 ZINC000592068642 567313497 /nfs/dbraw/zinc/31/34/97/567313497.db2.gz KMPDVQCXIFREII-UHFFFAOYSA-N 0 3 389.297 3.015 20 30 GGEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@@](O)(CC#N)C1 ZINC000592151031 567318318 /nfs/dbraw/zinc/31/83/18/567318318.db2.gz JISOKZRBMZASIS-SFHVURJKSA-N 0 3 394.313 3.135 20 30 GGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435428806 567362691 /nfs/dbraw/zinc/36/26/91/567362691.db2.gz SVRKMMVDXXINPR-UHFFFAOYSA-N 0 3 383.564 3.214 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000435443169 567369756 /nfs/dbraw/zinc/36/97/56/567369756.db2.gz MJPHQOFSOPEQFP-UHFFFAOYSA-N 0 3 375.519 3.084 20 30 GGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)c1 ZINC000435643007 567380923 /nfs/dbraw/zinc/38/09/23/567380923.db2.gz AJLOVJYGWVBMJD-MRXNPFEDSA-N 0 3 381.929 3.287 20 30 GGEDHN N#CC1(C[C@H](O)CN2CCC[C@H]([C@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507144 567432815 /nfs/dbraw/zinc/43/28/15/567432815.db2.gz VWCUPMGLZGYOOS-RYQLBKOJSA-N 0 3 393.325 3.249 20 30 GGEDHN CC[C@H](C#N)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000593718321 567436229 /nfs/dbraw/zinc/43/62/29/567436229.db2.gz KQIFWUSVDDEHIO-CQSZACIVSA-N 0 3 378.314 3.422 20 30 GGEDHN N#Cc1cccc(CN2CCC(NCc3cncc(Br)c3)CC2)c1 ZINC000593693329 567436397 /nfs/dbraw/zinc/43/63/97/567436397.db2.gz UONQSDKNBDMCNO-UHFFFAOYSA-N 0 3 385.309 3.470 20 30 GGEDHN Cc1cc(Br)ccc1C(=O)N1CCC(NCC2(C#N)CC2)CC1 ZINC000619535205 567462949 /nfs/dbraw/zinc/46/29/49/567462949.db2.gz KBSTXUAUIFLMBR-UHFFFAOYSA-N 0 3 376.298 3.256 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)co1 ZINC000457465946 567467576 /nfs/dbraw/zinc/46/75/76/567467576.db2.gz TYNFYMXRGBDPJX-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(F)cc2Br)CC1 ZINC000478615009 567470861 /nfs/dbraw/zinc/47/08/61/567470861.db2.gz KXSIMEHJHZMGSY-UHFFFAOYSA-N 0 3 384.293 3.380 20 30 GGEDHN Cc1nn(-c2cccc(Br)c2)cc1CNC1CCN(CC#N)CC1 ZINC000594499693 567482202 /nfs/dbraw/zinc/48/22/02/567482202.db2.gz QIRUAGRFSLJYJM-UHFFFAOYSA-N 0 3 388.313 3.021 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccsc1Cl ZINC000551215533 567488372 /nfs/dbraw/zinc/48/83/72/567488372.db2.gz SQHPPSJNFURPKV-UHFFFAOYSA-N 0 3 377.897 3.242 20 30 GGEDHN CCCN1CCC(NS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594746041 567506546 /nfs/dbraw/zinc/50/65/46/567506546.db2.gz WSUJJRZNOCUDKU-UHFFFAOYSA-N 0 3 377.535 3.234 20 30 GGEDHN CCN1CCC[C@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594752053 567506852 /nfs/dbraw/zinc/50/68/52/567506852.db2.gz IKYFBDQNZJRGHA-OAHLLOKOSA-N 0 3 377.535 3.092 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000594757645 567508026 /nfs/dbraw/zinc/50/80/26/567508026.db2.gz HMTNNIAJJFAHDU-MLGOLLRUSA-N 0 3 377.535 3.042 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CC1 ZINC000458337512 567541025 /nfs/dbraw/zinc/54/10/25/567541025.db2.gz QNQSPYPEHJSGNK-QGZVFWFLSA-N 0 3 393.329 3.341 20 30 GGEDHN C=CCN1CCC(Nc2ccc(-c3ccc(Br)s3)nn2)CC1 ZINC000439162224 567568416 /nfs/dbraw/zinc/56/84/16/567568416.db2.gz YZPZMYGCPYBAAR-UHFFFAOYSA-N 0 3 379.327 3.452 20 30 GGEDHN CN(CCC#N)C[C@H](O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000571551290 567570307 /nfs/dbraw/zinc/57/03/07/567570307.db2.gz GGRYAVQCVSOIGO-QZTJIDSGSA-N 0 3 380.330 3.086 20 30 GGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000530233160 567585686 /nfs/dbraw/zinc/58/56/86/567585686.db2.gz CHRJCFUBGOHFHW-OKZBNKHCSA-N 0 3 387.277 3.206 20 30 GGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@H]1CCc2c1cccc2Br ZINC000530231661 567586057 /nfs/dbraw/zinc/58/60/57/567586057.db2.gz SJPKPFGGBUIUJW-KSSFIOAISA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1CCc2c1cccc2Br ZINC000530231656 567586444 /nfs/dbraw/zinc/58/64/44/567586444.db2.gz SJPKPFGGBUIUJW-KBXCAEBGSA-N 0 3 387.277 3.338 20 30 GGEDHN Cc1nc(C)c(Br)c(N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000596157943 567613286 /nfs/dbraw/zinc/61/32/86/567613286.db2.gz KKBRDBKMKZBUFM-UHFFFAOYSA-N 0 3 388.313 3.296 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(Br)s2)cc1 ZINC000552854479 567613717 /nfs/dbraw/zinc/61/37/17/567613717.db2.gz QMTJNOIRIVCIOP-CYBMUJFWSA-N 0 3 381.295 3.106 20 30 GGEDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H](C)c1cccc(C#N)c1 ZINC000507245239 567669490 /nfs/dbraw/zinc/66/94/90/567669490.db2.gz XIPXIXZNAVTMPV-AWEZNQCLSA-N 0 3 377.897 3.149 20 30 GGEDHN Cc1nc(NC(=O)C(Oc2ccccc2)C(C)(C)O)sc1SCC#N ZINC000597047814 567676944 /nfs/dbraw/zinc/67/69/44/567676944.db2.gz UJMHQSOZWWJVMS-CYBMUJFWSA-N 0 3 377.491 3.224 20 30 GGEDHN N#CCC[C@H](C#N)CNC1CCN(Cc2cccc(Br)c2)CC1 ZINC000572945161 567677127 /nfs/dbraw/zinc/67/71/27/567677127.db2.gz XRRZWKSNTYYAOW-MRXNPFEDSA-N 0 3 375.314 3.447 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2cncn2C)cc1OC ZINC000623086848 567684261 /nfs/dbraw/zinc/68/42/61/567684261.db2.gz NOWWOTFDQDXAEL-UHFFFAOYSA-N 0 3 380.286 3.088 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@@H](C(=O)OC)C2)cc1OC ZINC000597217898 567689580 /nfs/dbraw/zinc/68/95/80/567689580.db2.gz IZHLXCJKLJJPLK-BETUJISGSA-N 0 3 384.270 3.064 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010995 567722750 /nfs/dbraw/zinc/72/27/50/567722750.db2.gz GAICZSRCMVYIIG-JKIFEVAISA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010991 567723027 /nfs/dbraw/zinc/72/30/27/567723027.db2.gz GAICZSRCMVYIIG-CPUCHLNUSA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095820 567731351 /nfs/dbraw/zinc/73/13/51/567731351.db2.gz HEZCMPOEQLZYJL-GASCZTMLSA-N 0 3 383.945 3.248 20 30 GGEDHN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095820 567731354 /nfs/dbraw/zinc/73/13/54/567731354.db2.gz HEZCMPOEQLZYJL-GASCZTMLSA-N 0 3 383.945 3.248 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000443349628 567750935 /nfs/dbraw/zinc/75/09/35/567750935.db2.gz VGTQRXDEFSAWDT-YPMHNXCESA-N 0 3 381.295 3.473 20 30 GGEDHN N#Cc1cnn2cc(CN[C@H]3C[C@H](c4ccc(Br)cc4)C3)cnc12 ZINC000574040461 567752197 /nfs/dbraw/zinc/75/21/97/567752197.db2.gz KYPZTLSOQKQXKR-CZIWCDLHSA-N 0 3 382.265 3.399 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443402842 567755200 /nfs/dbraw/zinc/75/52/00/567755200.db2.gz JMFPHQCWJMULKN-ZWNOBZJWSA-N 0 3 375.226 3.322 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443402841 567755421 /nfs/dbraw/zinc/75/54/21/567755421.db2.gz JMFPHQCWJMULKN-MFKMUULPSA-N 0 3 375.226 3.322 20 30 GGEDHN C[C@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620101 567779828 /nfs/dbraw/zinc/77/98/28/567779828.db2.gz YJAXGEUZECCLLR-ZFWWWQNUSA-N 0 3 399.329 3.162 20 30 GGEDHN COC(=O)C[C@](C)(NC[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617452 567780566 /nfs/dbraw/zinc/78/05/66/567780566.db2.gz ROAOKIPJWKXCOJ-YJBOKZPZSA-N 0 3 397.313 3.118 20 30 GGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000598722774 567785678 /nfs/dbraw/zinc/78/56/78/567785678.db2.gz ASCUYAOVZNMUJN-MRXNPFEDSA-N 0 3 377.286 3.025 20 30 GGEDHN C=C(C)COCCNC[C@H](O)COc1ccc(Cl)cc1Br ZINC000574869043 567801484 /nfs/dbraw/zinc/80/14/84/567801484.db2.gz KSWYHHLDGSCQBT-ZDUSSCGKSA-N 0 3 378.694 3.025 20 30 GGEDHN C#CC[C@@]1(C(=O)NCc2cccc(CN(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000225471869 570456177 /nfs/dbraw/zinc/45/61/77/570456177.db2.gz LZCMOIVXBNDODP-QHCPKHFHSA-N 0 3 399.535 3.157 20 30 GGEDHN Cn1nnc2cc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000103798993 570889083 /nfs/dbraw/zinc/88/90/83/570889083.db2.gz KHSHYFOFTBHHGL-NSHDSACASA-N 0 3 388.214 3.236 20 30 GGEDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)CC1 ZINC000032932652 570945659 /nfs/dbraw/zinc/94/56/59/570945659.db2.gz MQCJKRWKLPLGEE-UHFFFAOYSA-N 0 3 379.464 3.216 20 30 GGEDHN C=C(C)COc1cc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)ccc1OC ZINC000823878074 607567032 /nfs/dbraw/zinc/56/70/32/607567032.db2.gz NOLRQNQXOSJUML-UHFFFAOYSA-N 0 3 395.463 3.129 20 30 GGEDHN Clc1cc(-c2nnn[n-]2)cc(N=NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000826350412 608537538 /nfs/dbraw/zinc/53/75/38/608537538.db2.gz VGNIJAWSRNYUGO-UHFFFAOYSA-N 0 3 396.886 3.022 20 30 GGEDHN Clc1cc(-c2nn[n-]n2)cc(N=NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000826350412 608537539 /nfs/dbraw/zinc/53/75/39/608537539.db2.gz VGNIJAWSRNYUGO-UHFFFAOYSA-N 0 3 396.886 3.022 20 30 GGEDHN C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824984548 608542298 /nfs/dbraw/zinc/54/22/98/608542298.db2.gz LIDVJNHSCDZKKZ-CYBMUJFWSA-N 0 3 396.886 3.225 20 30 GGEDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824984548 608542300 /nfs/dbraw/zinc/54/23/00/608542300.db2.gz LIDVJNHSCDZKKZ-CYBMUJFWSA-N 0 3 396.886 3.225 20 30 GGEDHN C[C@@H]1C[N@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824984548 608542302 /nfs/dbraw/zinc/54/23/02/608542302.db2.gz LIDVJNHSCDZKKZ-CYBMUJFWSA-N 0 3 396.886 3.225 20 30 GGEDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824984548 608542304 /nfs/dbraw/zinc/54/23/04/608542304.db2.gz LIDVJNHSCDZKKZ-CYBMUJFWSA-N 0 3 396.886 3.225 20 30 GGEDHN N#Cc1cccc(OCCN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000054223458 1406658331 /nfs/dbraw/zinc/65/83/31/1406658331.db2.gz OBEWZDWDKROMML-UHFFFAOYSA-N 0 3 384.867 3.336 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000054338139 1406695416 /nfs/dbraw/zinc/69/54/16/1406695416.db2.gz XDHKMEDUSKIHGP-GMAHTHKFSA-N 0 3 380.488 3.174 20 30 GGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCO2 ZINC000054427360 1406731716 /nfs/dbraw/zinc/73/17/16/1406731716.db2.gz VEMQHMZDRJXUKM-UHFFFAOYSA-N 0 3 383.473 3.298 20 30 GGEDHN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)C(C#N)C(=O)NC3CCCC3)C2)c1 ZINC000054465986 1406743936 /nfs/dbraw/zinc/74/39/36/1406743936.db2.gz CKMFTNVFGUHFTP-LPHOPBHVSA-N 0 3 396.491 3.007 20 30 GGEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000054727331 1406814316 /nfs/dbraw/zinc/81/43/16/1406814316.db2.gz SQZBKZOYOLKURY-INIZCTEOSA-N 0 3 380.839 3.334 20 30 GGEDHN COc1ccc([C@H](CNC(=O)NCC#Cc2ccccc2)N2CCCC2)cc1 ZINC000055291317 1406922230 /nfs/dbraw/zinc/92/22/30/1406922230.db2.gz TVZQJGXSIHMCGB-QFIPXVFZSA-N 0 3 377.488 3.183 20 30 GGEDHN COc1ccc([C@@H](CNC(=O)NCC#Cc2ccccc2)N2CCCC2)cc1 ZINC000055291316 1406922063 /nfs/dbraw/zinc/92/20/63/1406922063.db2.gz TVZQJGXSIHMCGB-JOCHJYFZSA-N 0 3 377.488 3.183 20 30 GGEDHN COc1ccc([C@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+]2CCCCC2)cc1 ZINC000005110859 1398415449 /nfs/dbraw/zinc/41/54/49/1398415449.db2.gz HMAISRRLTMTTBY-DUYDGHCJSA-N 0 3 383.492 3.243 20 30 GGEDHN Cc1csc(C(C#N)C(=O)CSc2nnnn2-c2ccc(C)cc2C)n1 ZINC000007826264 1398752351 /nfs/dbraw/zinc/75/23/51/1398752351.db2.gz FHDRMKGPPBHWCP-CYBMUJFWSA-N 0 3 384.490 3.013 20 30 GGEDHN COc1ccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000010745155 1398916556 /nfs/dbraw/zinc/91/65/56/1398916556.db2.gz IJAFRMPDEBUJEN-QFIPXVFZSA-N 0 3 377.488 3.453 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000010917494 1398932228 /nfs/dbraw/zinc/93/22/28/1398932228.db2.gz UOXFMUSIJRZABA-NRFANRHFSA-N 0 3 381.476 3.145 20 30 GGEDHN COc1cc(/C=C/C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1OCC#N ZINC000015918969 1399200692 /nfs/dbraw/zinc/20/06/92/1399200692.db2.gz JSTJDSLVZWNXOC-FMAYLGMYSA-N 0 3 379.460 3.030 20 30 GGEDHN N#Cc1ccc(OCCN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000025183851 1399764138 /nfs/dbraw/zinc/76/41/38/1399764138.db2.gz LLQUUPXHZFVSRU-UHFFFAOYSA-N 0 3 375.472 3.494 20 30 GGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000025301344 1399791730 /nfs/dbraw/zinc/79/17/30/1399791730.db2.gz OOLWXRFYRNNNGE-XMSQKQJNSA-N 0 3 396.487 3.347 20 30 GGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000025301341 1399792213 /nfs/dbraw/zinc/79/22/13/1399792213.db2.gz OOLWXRFYRNNNGE-GCJKJVERSA-N 0 3 396.487 3.347 20 30 GGEDHN CC(C)[C@H](CNC(=O)COc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000025536498 1399817584 /nfs/dbraw/zinc/81/75/84/1399817584.db2.gz IJZRBAWSOJKIBT-QFIPXVFZSA-N 0 3 377.488 3.136 20 30 GGEDHN COc1ccc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)cc1OC(F)F ZINC000026453359 1399891704 /nfs/dbraw/zinc/89/17/04/1399891704.db2.gz YKULSWIPXLLSNJ-INIZCTEOSA-N 0 3 392.402 3.040 20 30 GGEDHN N#Cc1cc([N+](=O)[O-])ccc1NCCCN1CCN(Cc2ccccc2)CC1 ZINC000029170797 1400252949 /nfs/dbraw/zinc/25/29/49/1400252949.db2.gz BEIODTAHYBTODV-UHFFFAOYSA-N 0 3 379.464 3.086 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000029374653 1400289831 /nfs/dbraw/zinc/28/98/31/1400289831.db2.gz QQQTZKGJOQESEI-SFHVURJKSA-N 0 3 392.503 3.415 20 30 GGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CCC(C)(C)C)CC1 ZINC000055933466 1407138133 /nfs/dbraw/zinc/13/81/33/1407138133.db2.gz XXNQKAVOKFWVOT-OAHLLOKOSA-N 0 3 388.581 3.489 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOC1CCCCC1 ZINC000045148392 1404063062 /nfs/dbraw/zinc/06/30/62/1404063062.db2.gz MVVCGJCYZLYIOT-UHFFFAOYSA-N 0 3 386.540 3.371 20 30 GGEDHN COc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccccc3C#N)CC2)cc1 ZINC000046504059 1404449371 /nfs/dbraw/zinc/44/93/71/1404449371.db2.gz YXYMQNQIZVBAKO-UHFFFAOYSA-N 0 3 391.471 3.490 20 30 GGEDHN C[C@H]1CCCC[C@@H]1OCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046830672 1404606018 /nfs/dbraw/zinc/60/60/18/1404606018.db2.gz KNQHYBVYXZNUNG-RXVVDRJESA-N 0 3 386.540 3.227 20 30 GGEDHN COc1cccc(CO[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011571 1404673705 /nfs/dbraw/zinc/67/37/05/1404673705.db2.gz VNTKBIBSCUXKNX-SFHVURJKSA-N 0 3 395.503 3.062 20 30 GGEDHN COc1cccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1OC ZINC000047011354 1404674481 /nfs/dbraw/zinc/67/44/81/1404674481.db2.gz PXCLOTWXIGUEJQ-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000047011716 1404675039 /nfs/dbraw/zinc/67/50/39/1404675039.db2.gz PQWKAMBRIMYKCG-UHFFFAOYSA-N 0 3 387.430 3.293 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000047234344 1404761024 /nfs/dbraw/zinc/76/10/24/1404761024.db2.gz HVJZAXFYQFBTND-UHFFFAOYSA-N 0 3 376.382 3.176 20 30 GGEDHN N#Cc1ccc(OCCN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262297 1404774152 /nfs/dbraw/zinc/77/41/52/1404774152.db2.gz AYYIQUWZGVBARQ-MRXNPFEDSA-N 0 3 384.867 3.336 20 30 GGEDHN N#Cc1ccc(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000047333745 1404809673 /nfs/dbraw/zinc/80/96/73/1404809673.db2.gz PAHZGZLZSNKPGK-UHFFFAOYSA-N 0 3 391.519 3.278 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccnc1N1CCCC1 ZINC000048171542 1405085032 /nfs/dbraw/zinc/08/50/32/1405085032.db2.gz VVWOHBSDJZSOOV-UHFFFAOYSA-N 0 3 392.507 3.149 20 30 GGEDHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000048787836 1405292567 /nfs/dbraw/zinc/29/25/67/1405292567.db2.gz BUYDLGHILIRYDM-CVEARBPZSA-N 0 3 388.468 3.435 20 30 GGEDHN CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000048787843 1405292898 /nfs/dbraw/zinc/29/28/98/1405292898.db2.gz BUYDLGHILIRYDM-HOTGVXAUSA-N 0 3 388.468 3.435 20 30 GGEDHN N#CC(C(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)NCc1ccccc1 ZINC000049492499 1405380454 /nfs/dbraw/zinc/38/04/54/1405380454.db2.gz GOZGPKFUNXCXDM-SFHVURJKSA-N 0 3 388.427 3.085 20 30 GGEDHN N#CC(C(=O)c1cnn(-c2ccccc2Cl)c1)c1nnc2n1CCCCC2 ZINC000050206438 1405521656 /nfs/dbraw/zinc/52/16/56/1405521656.db2.gz UXWFKPIFMRCGAZ-CQSZACIVSA-N 0 3 380.839 3.334 20 30 GGEDHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679904 1405622252 /nfs/dbraw/zinc/62/22/52/1405622252.db2.gz NKGQLPSUPZYUDL-WOJBJXKFSA-N 0 3 379.460 3.108 20 30 GGEDHN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679907 1405622399 /nfs/dbraw/zinc/62/23/99/1405622399.db2.gz NKGQLPSUPZYUDL-PMACEKPBSA-N 0 3 379.460 3.108 20 30 GGEDHN Cc1ccc(C(=O)N2CCC[C@H](C(=O)C(C#N)C(=O)NC3CCCCC3)C2)cc1 ZINC000050683574 1405623494 /nfs/dbraw/zinc/62/34/94/1405623494.db2.gz AXKQZHHMXJBADV-AZUAARDMSA-N 0 3 395.503 3.005 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1OC ZINC000050879367 1405675680 /nfs/dbraw/zinc/67/56/80/1405675680.db2.gz AVOFQQYAINHXSC-GOSISDBHSA-N 0 3 386.492 3.432 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCC2CCCCC2)cc1OC ZINC000050879366 1405676282 /nfs/dbraw/zinc/67/62/82/1405676282.db2.gz AVOFQQYAINHXSC-SFHVURJKSA-N 0 3 386.492 3.432 20 30 GGEDHN N#CC(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)NC1CCCC1 ZINC000051652092 1405845471 /nfs/dbraw/zinc/84/54/71/1405845471.db2.gz GEUICNFKFHPFKX-HNNXBMFYSA-N 0 3 387.386 3.320 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000056840214 1407451200 /nfs/dbraw/zinc/45/12/00/1407451200.db2.gz QWQVKDNTHYRILQ-OAQYLSRUSA-N 0 3 380.467 3.458 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 ZINC000057171521 1407543711 /nfs/dbraw/zinc/54/37/11/1407543711.db2.gz VVFICRFPMIHWGR-UHFFFAOYSA-N 0 3 376.500 3.365 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000057175124 1407546017 /nfs/dbraw/zinc/54/60/17/1407546017.db2.gz YTMBZYUVYXWGJK-UHFFFAOYSA-N 0 3 392.455 3.278 20 30 GGEDHN C[C@H]1CCN(C(=O)NCc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000176328418 1428248103 /nfs/dbraw/zinc/24/81/03/1428248103.db2.gz WUBOGJQRTQBSQR-IBGZPJMESA-N 0 3 392.503 3.395 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000057605871 1407663230 /nfs/dbraw/zinc/66/32/30/1407663230.db2.gz KYTHGFOHNQJONO-OAQYLSRUSA-N 0 3 380.492 3.019 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOc1ccc(F)cc1 ZINC000057633259 1407672343 /nfs/dbraw/zinc/67/23/43/1407672343.db2.gz JNSHZZVZAIQPCH-UHFFFAOYSA-N 0 3 398.482 3.240 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000057679607 1407682635 /nfs/dbraw/zinc/68/26/35/1407682635.db2.gz ZBBMLBUIOICDKD-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN C=C(C)COc1cc(CNCc2ccnc(N3CCOCC3)c2)ccc1OC ZINC000057961942 1407762442 /nfs/dbraw/zinc/76/24/42/1407762442.db2.gz MIXXWXPBKCXALZ-UHFFFAOYSA-N 0 3 383.492 3.172 20 30 GGEDHN CCN1C[C@H](CN(C)CCC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289135 1407807343 /nfs/dbraw/zinc/80/73/43/1407807343.db2.gz BVGLRPOKQYEMPU-INIZCTEOSA-N 0 3 384.505 3.168 20 30 GGEDHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000058452248 1407831214 /nfs/dbraw/zinc/83/12/14/1407831214.db2.gz LMLHFHZLBPUSDV-UHFFFAOYSA-N 0 3 391.519 3.326 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000058452826 1407831228 /nfs/dbraw/zinc/83/12/28/1407831228.db2.gz QTCHUEQYEKJNIB-UHFFFAOYSA-N 0 3 391.519 3.196 20 30 GGEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000058580532 1407847654 /nfs/dbraw/zinc/84/76/54/1407847654.db2.gz QJKAUNZGYGLKMX-HXUWFJFHSA-N 0 3 399.922 3.301 20 30 GGEDHN Cc1cc(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1Cl ZINC000060575858 1408005332 /nfs/dbraw/zinc/00/53/32/1408005332.db2.gz FRKREURGLKZJSM-UHFFFAOYSA-N 0 3 385.895 3.489 20 30 GGEDHN CN1CCN(CCCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000061211566 1408091483 /nfs/dbraw/zinc/09/14/83/1408091483.db2.gz SFNVSRKPBGIQTE-UHFFFAOYSA-N 0 3 394.544 3.077 20 30 GGEDHN C=CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cccc(C#N)c1 ZINC000063300921 1408332334 /nfs/dbraw/zinc/33/23/34/1408332334.db2.gz ICHVMOQHNWGYMS-UHFFFAOYSA-N 0 3 394.431 3.492 20 30 GGEDHN N#CCOc1ccc(CNCc2cc3c(c(Br)c2)OCO3)cc1 ZINC000063578872 1408374323 /nfs/dbraw/zinc/37/43/23/1408374323.db2.gz BBQMJABWBAOODY-UHFFFAOYSA-N 0 3 375.222 3.370 20 30 GGEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CCCC1 ZINC000064014421 1408466700 /nfs/dbraw/zinc/46/67/00/1408466700.db2.gz PTQLLRFXLYXCJX-GOSISDBHSA-N 0 3 398.551 3.478 20 30 GGEDHN N#CC(C(=O)c1ccnc(OCc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000064102194 1408484379 /nfs/dbraw/zinc/48/43/79/1408484379.db2.gz YIHRJWLLQOFKGV-SFHVURJKSA-N 0 3 387.443 3.469 20 30 GGEDHN COc1ccc(CNC[C@H](O)COc2ccc(F)cc2)cc1OCCCC#N ZINC000064614322 1408586150 /nfs/dbraw/zinc/58/61/50/1408586150.db2.gz VWFMJLXNXQXPJB-SFHVURJKSA-N 0 3 388.439 3.046 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 ZINC000176499619 1428340886 /nfs/dbraw/zinc/34/08/86/1428340886.db2.gz ZAEUIDFQSVXCLX-UHFFFAOYSA-N 0 3 381.524 3.141 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1ccccc1F ZINC000065930249 1408755743 /nfs/dbraw/zinc/75/57/43/1408755743.db2.gz XHVRKBXCYDFMQD-UHFFFAOYSA-N 0 3 383.467 3.447 20 30 GGEDHN Cc1cc(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1Cl ZINC000065930013 1408755936 /nfs/dbraw/zinc/75/59/36/1408755936.db2.gz ICVFBZJBLXJUKT-UHFFFAOYSA-N 0 3 385.895 3.489 20 30 GGEDHN CSc1nc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c2ccccn21 ZINC000065930246 1408755977 /nfs/dbraw/zinc/75/59/77/1408755977.db2.gz BOXWNFUZJUEELL-UHFFFAOYSA-N 0 3 393.516 3.132 20 30 GGEDHN Cc1nc(C(F)(F)F)ccc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930636 1408756174 /nfs/dbraw/zinc/75/61/74/1408756174.db2.gz XJTXACISIAHDNL-UHFFFAOYSA-N 0 3 390.409 3.485 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000065930752 1408756233 /nfs/dbraw/zinc/75/62/33/1408756233.db2.gz WQEYCAXCEURWHI-UHFFFAOYSA-N 0 3 391.450 3.291 20 30 GGEDHN Cc1cc(C)c(OCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c(C)c1 ZINC000065931134 1408756286 /nfs/dbraw/zinc/75/62/86/1408756286.db2.gz KYNHARAGLFETAP-UHFFFAOYSA-N 0 3 379.504 3.453 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000065931224 1408756311 /nfs/dbraw/zinc/75/63/11/1408756311.db2.gz OVSKNWDJRQDHDJ-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CC(=O)Nc1ccc(/C=C/C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930740 1408756496 /nfs/dbraw/zinc/75/64/96/1408756496.db2.gz NAOMEUQBYIJNLO-FMIVXFBMSA-N 0 3 390.487 3.120 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000065931338 1408756522 /nfs/dbraw/zinc/75/65/22/1408756522.db2.gz WEZALDSYFWOETG-UHFFFAOYSA-N 0 3 398.488 3.149 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000176527571 1428350952 /nfs/dbraw/zinc/35/09/52/1428350952.db2.gz GJOANERDGRFROK-YADHBBJMSA-N 0 3 392.503 3.162 20 30 GGEDHN COCCOc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000066403363 1408831798 /nfs/dbraw/zinc/83/17/98/1408831798.db2.gz ZNQPFVDNDLPEGI-UHFFFAOYSA-N 0 3 396.491 3.179 20 30 GGEDHN N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066410431 1408832638 /nfs/dbraw/zinc/83/26/38/1408832638.db2.gz MIRVACVNMIMUCZ-UHFFFAOYSA-N 0 3 392.478 3.256 20 30 GGEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545176 1408855728 /nfs/dbraw/zinc/85/57/28/1408855728.db2.gz WLCQFQNSKLNEEY-RISCZKNCSA-N 0 3 394.485 3.167 20 30 GGEDHN CC(C)(C)CCN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066623106 1408871584 /nfs/dbraw/zinc/87/15/84/1408871584.db2.gz WJIWPCHPCVVDFL-UHFFFAOYSA-N 0 3 398.551 3.294 20 30 GGEDHN Cc1ccccc1CN1CCCN(C(=O)COc2ccc(C#N)c(F)c2)CC1 ZINC000066749225 1408899098 /nfs/dbraw/zinc/89/90/98/1408899098.db2.gz PEQJZUCKOFCADF-UHFFFAOYSA-N 0 3 381.451 3.119 20 30 GGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899382 1408945813 /nfs/dbraw/zinc/94/58/13/1408945813.db2.gz ZLCWTCWQUQKJNM-LJQANCHMSA-N 0 3 377.444 3.495 20 30 GGEDHN CCOc1cc(CNCc2cccc(C#N)c2)ccc1O[C@H](C)C(=O)N(C)C ZINC000066971996 1408969291 /nfs/dbraw/zinc/96/92/91/1408969291.db2.gz SDFSBFMLEZPBOH-MRXNPFEDSA-N 0 3 381.476 3.102 20 30 GGEDHN C=CCOc1ccc(CNCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1Cl ZINC000066991820 1408974017 /nfs/dbraw/zinc/97/40/17/1408974017.db2.gz MIIZBQLVQPZYIH-NRFANRHFSA-N 0 3 399.878 3.249 20 30 GGEDHN C=CCOc1ccc(CNCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1Cl ZINC000066991821 1408974189 /nfs/dbraw/zinc/97/41/89/1408974189.db2.gz MIIZBQLVQPZYIH-OAQYLSRUSA-N 0 3 399.878 3.249 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1 ZINC000067143926 1409020844 /nfs/dbraw/zinc/02/08/44/1409020844.db2.gz MBWFKDLMNQDFLA-UHFFFAOYSA-N 0 3 389.499 3.209 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 ZINC000067209866 1409043622 /nfs/dbraw/zinc/04/36/22/1409043622.db2.gz CCPRUOUVRILJGA-UHFFFAOYSA-N 0 3 375.900 3.010 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)CC1 ZINC000067210311 1409043841 /nfs/dbraw/zinc/04/38/41/1409043841.db2.gz LOAUNNVFKWFJGP-UHFFFAOYSA-N 0 3 381.520 3.375 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1 ZINC000067212925 1409044986 /nfs/dbraw/zinc/04/49/86/1409044986.db2.gz HRLGJKXKMMZNMI-UHFFFAOYSA-N 0 3 381.520 3.375 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000067231148 1409048907 /nfs/dbraw/zinc/04/89/07/1409048907.db2.gz IFJRTUGYKJXTLD-RXVVDRJESA-N 0 3 394.471 3.101 20 30 GGEDHN CC(C)OCCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000176626723 1428383664 /nfs/dbraw/zinc/38/36/64/1428383664.db2.gz LFOGAGYNRUOXEB-UHFFFAOYSA-N 0 3 384.524 3.122 20 30 GGEDHN C=CCN(Cc1ccccc1F)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176625899 1428383723 /nfs/dbraw/zinc/38/37/23/1428383723.db2.gz KHUPZIRRHNQUCS-UHFFFAOYSA-N 0 3 377.504 3.413 20 30 GGEDHN N#CCOc1ccc(CNC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)cc1 ZINC000067925890 1409256829 /nfs/dbraw/zinc/25/68/29/1409256829.db2.gz OMFJOTJETOPFAZ-LJQANCHMSA-N 0 3 381.451 3.256 20 30 GGEDHN COc1cccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1OC ZINC000068309842 1409360630 /nfs/dbraw/zinc/36/06/30/1409360630.db2.gz VVCLJHGMZYBXTP-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN Cc1nc(C(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)ccc1C#N ZINC000068313264 1409363051 /nfs/dbraw/zinc/36/30/51/1409363051.db2.gz RXZXZZRXYAEISQ-UHFFFAOYSA-N 0 3 390.409 3.485 20 30 GGEDHN C#CCN1CCC(C(=O)NC[C@@H](C)Sc2ccc(Br)cc2)CC1 ZINC000068568147 1409440832 /nfs/dbraw/zinc/44/08/32/1409440832.db2.gz MGRBMZOYRNJPCG-CQSZACIVSA-N 0 3 395.366 3.391 20 30 GGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016430 1409544176 /nfs/dbraw/zinc/54/41/76/1409544176.db2.gz HKUQJPMWZUGSCW-VQTJNVASSA-N 0 3 398.551 3.418 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)CC1 ZINC000069018900 1409545037 /nfs/dbraw/zinc/54/50/37/1409545037.db2.gz VINBGRSUQYGHOQ-UHFFFAOYSA-N 0 3 386.499 3.046 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000069071877 1409556560 /nfs/dbraw/zinc/55/65/60/1409556560.db2.gz PHEZXTZYFNSSKD-NRFANRHFSA-N 0 3 392.503 3.034 20 30 GGEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CCCC1 ZINC000069227515 1409590481 /nfs/dbraw/zinc/59/04/81/1409590481.db2.gz PTQLLRFXLYXCJX-SFHVURJKSA-N 0 3 398.551 3.478 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000070840484 1409788501 /nfs/dbraw/zinc/78/85/01/1409788501.db2.gz INJZEHJCVQNCIU-UHFFFAOYSA-N 0 3 381.520 3.167 20 30 GGEDHN COC(=O)[C@H](NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000176720656 1428433218 /nfs/dbraw/zinc/43/32/18/1428433218.db2.gz DMQPNYKHVVRASX-OAQYLSRUSA-N 0 3 381.451 3.166 20 30 GGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000072895760 1409855043 /nfs/dbraw/zinc/85/50/43/1409855043.db2.gz VWLZVPWFZMXISU-UXHICEINSA-N 0 3 382.552 3.314 20 30 GGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(C3CCCC3)CC2)c1 ZINC000075633854 1409882099 /nfs/dbraw/zinc/88/20/99/1409882099.db2.gz IXGGTAWVMIKLOZ-HXUWFJFHSA-N 0 3 382.552 3.499 20 30 GGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C3CCCC3)CC2)c1 ZINC000075633855 1409882253 /nfs/dbraw/zinc/88/22/53/1409882253.db2.gz IXGGTAWVMIKLOZ-FQEVSTJZSA-N 0 3 382.552 3.499 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(SC(C)(C)C)cc2)CC1 ZINC000076513174 1409889433 /nfs/dbraw/zinc/88/94/33/1409889433.db2.gz PSLYFQFPJLXOBB-UHFFFAOYSA-N 0 3 375.538 3.282 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)CCC2 ZINC000079555963 1409980699 /nfs/dbraw/zinc/98/06/99/1409980699.db2.gz DQRHASXTFBPGLF-UHFFFAOYSA-N 0 3 376.504 3.320 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000080079820 1410000261 /nfs/dbraw/zinc/00/02/61/1410000261.db2.gz QPLDEVPPSYQKDK-UHFFFAOYSA-N 0 3 377.485 3.075 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000080119878 1410001215 /nfs/dbraw/zinc/00/12/15/1410001215.db2.gz BOUABIOJKATXCC-SFHVURJKSA-N 0 3 376.932 3.258 20 30 GGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCC(CO)CC1 ZINC000089923872 1410059540 /nfs/dbraw/zinc/05/95/40/1410059540.db2.gz DQJWFIPMEYQHBE-GTPINHCMSA-N 0 3 375.538 3.360 20 30 GGEDHN CCOc1ccc(C2=CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000091813462 1410083674 /nfs/dbraw/zinc/08/36/74/1410083674.db2.gz HSXOQGFSMYMPMR-OAQYLSRUSA-N 0 3 378.472 3.486 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868050 1410088463 /nfs/dbraw/zinc/08/84/63/1410088463.db2.gz ZWLRRVIQKXIXJA-FQEVSTJZSA-N 0 3 398.478 3.313 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091885929 1410089285 /nfs/dbraw/zinc/08/92/85/1410089285.db2.gz URDMWNCKSKLRIA-FQEVSTJZSA-N 0 3 384.451 3.118 20 30 GGEDHN COC(=O)[C@H](NCC1(N2CCSCC2)CCCCC1)c1cccc(C#N)c1 ZINC000176785303 1428460408 /nfs/dbraw/zinc/46/04/08/1428460408.db2.gz CJFDNFMVYYIJPO-LJQANCHMSA-N 0 3 387.549 3.114 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000092505383 1410163287 /nfs/dbraw/zinc/16/32/87/1410163287.db2.gz YZYGKDIQFGGHTJ-MRXNPFEDSA-N 0 3 385.430 3.064 20 30 GGEDHN COc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1OCCCC#N ZINC000093134438 1410224721 /nfs/dbraw/zinc/22/47/21/1410224721.db2.gz FZHGZGRJIHXFAJ-GOSISDBHSA-N 0 3 395.507 3.295 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000093149187 1410226367 /nfs/dbraw/zinc/22/63/67/1410226367.db2.gz MJAPAXPISNSMFO-GOSISDBHSA-N 0 3 387.505 3.228 20 30 GGEDHN COCCN(Cc1ccc(N(C)CCC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000093358328 1410237217 /nfs/dbraw/zinc/23/72/17/1410237217.db2.gz URQNUNLRJCCNQS-UHFFFAOYSA-N 0 3 381.476 3.414 20 30 GGEDHN C[C@@H](C#N)Oc1ccc(CN(C)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000093563531 1410253998 /nfs/dbraw/zinc/25/39/98/1410253998.db2.gz ADJSIQMRJHLHNI-FQEVSTJZSA-N 0 3 378.520 3.231 20 30 GGEDHN C=C(C)COc1cc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC)ccc1OC ZINC000093614452 1410257081 /nfs/dbraw/zinc/25/70/81/1410257081.db2.gz MMBAYTSSVFKIAX-RTWAWAEBSA-N 0 3 375.509 3.402 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000093797328 1410267957 /nfs/dbraw/zinc/26/79/57/1410267957.db2.gz KAQKTBMVGSWKIL-UHFFFAOYSA-N 0 3 375.488 3.167 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000097261699 1410362423 /nfs/dbraw/zinc/36/24/23/1410362423.db2.gz DANUXJVAVRAOBB-KRWDZBQOSA-N 0 3 399.454 3.166 20 30 GGEDHN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000176817435 1428480038 /nfs/dbraw/zinc/48/00/38/1428480038.db2.gz QAKUYLJCAYEDSU-RTWAWAEBSA-N 0 3 386.540 3.083 20 30 GGEDHN CCN1CCN(C[C@H](C)CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000101690485 1410491107 /nfs/dbraw/zinc/49/11/07/1410491107.db2.gz LJOKHARGLBFJOM-LJQANCHMSA-N 0 3 390.531 3.229 20 30 GGEDHN Cc1c(NC(=O)C(C#N)C(=O)C2CCCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000102121226 1410566588 /nfs/dbraw/zinc/56/65/88/1410566588.db2.gz FLGHONSVIIAQIT-GOSISDBHSA-N 0 3 394.475 3.102 20 30 GGEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n(-c2ccccc2)n1 ZINC000103329194 1410849272 /nfs/dbraw/zinc/84/92/72/1410849272.db2.gz DODFJXAWULAGMR-OAHLLOKOSA-N 0 3 399.410 3.036 20 30 GGEDHN Cc1c(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000103639551 1410870673 /nfs/dbraw/zinc/87/06/73/1410870673.db2.gz BGIATGVSHXUSEV-KRWDZBQOSA-N 0 3 396.491 3.348 20 30 GGEDHN N#Cc1cccc(OC2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000104714715 1410937586 /nfs/dbraw/zinc/93/75/86/1410937586.db2.gz UWGVRUPCEOAXMZ-UHFFFAOYSA-N 0 3 389.455 3.088 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COCc3ccccc3F)CC2)c1 ZINC000104963134 1411004033 /nfs/dbraw/zinc/00/40/33/1411004033.db2.gz WZLMFXIFJGDEHT-IBGZPJMESA-N 0 3 384.451 3.118 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/C[C@@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000105356305 1411058010 /nfs/dbraw/zinc/05/80/10/1411058010.db2.gz NYNLZTKJDNWPCK-BRUSPLQXSA-N 0 3 378.419 3.375 20 30 GGEDHN CN(C(=O)c1cccc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1)c1ccccc1 ZINC000105759846 1411122846 /nfs/dbraw/zinc/12/28/46/1411122846.db2.gz CAJWTRVQAAZLRH-LJQANCHMSA-N 0 3 398.422 3.319 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 ZINC000106034398 1411154634 /nfs/dbraw/zinc/15/46/34/1411154634.db2.gz ASYZEZCXAMBCOX-UHFFFAOYSA-N 0 3 385.489 3.309 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000106035513 1411154899 /nfs/dbraw/zinc/15/48/99/1411154899.db2.gz HAPKHLOMFQKHOL-UHFFFAOYSA-N 0 3 390.549 3.173 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nc(CC)n(-c3ccccc3Cl)n2)CC1 ZINC000106035541 1411155003 /nfs/dbraw/zinc/15/50/03/1411155003.db2.gz SELSFACRQCQYJY-UHFFFAOYSA-N 0 3 387.915 3.253 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3ccccc3C)c3c2CCC3)CC1 ZINC000106034049 1411155398 /nfs/dbraw/zinc/15/53/98/1411155398.db2.gz YDJVRQKUVXDPIU-UHFFFAOYSA-N 0 3 378.520 3.440 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000106256798 1411184657 /nfs/dbraw/zinc/18/46/57/1411184657.db2.gz KJWVXKHAJVPBKH-UHFFFAOYSA-N 0 3 385.430 3.467 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000106263672 1411186167 /nfs/dbraw/zinc/18/61/67/1411186167.db2.gz NYZUYQOBPMBPKK-INIZCTEOSA-N 0 3 375.513 3.413 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000106267036 1411187234 /nfs/dbraw/zinc/18/72/34/1411187234.db2.gz KVWBEMFKOMQHPT-KRWDZBQOSA-N 0 3 384.524 3.214 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 ZINC000106275440 1411188060 /nfs/dbraw/zinc/18/80/60/1411188060.db2.gz SSAMLXFGLDCTBS-UHFFFAOYSA-N 0 3 389.540 3.321 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000106275244 1411188983 /nfs/dbraw/zinc/18/89/83/1411188983.db2.gz KDJXTVISEKRUDF-UHFFFAOYSA-N 0 3 392.931 3.398 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)CC1 ZINC000106275872 1411189363 /nfs/dbraw/zinc/18/93/63/1411189363.db2.gz HFQQAODRIYOGIP-UHFFFAOYSA-N 0 3 399.535 3.340 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000106275857 1411189670 /nfs/dbraw/zinc/18/96/70/1411189670.db2.gz LJCZQGZOUGOMNZ-HXUWFJFHSA-N 0 3 387.524 3.409 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(OCCc3ccccc3)CC2)CC1 ZINC000106275715 1411189939 /nfs/dbraw/zinc/18/99/39/1411189939.db2.gz OAPXBTMWEFIZOA-UHFFFAOYSA-N 0 3 385.552 3.460 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000106275870 1411190195 /nfs/dbraw/zinc/19/01/95/1411190195.db2.gz ZNAFTRXFSCSKSI-UHFFFAOYSA-N 0 3 386.540 3.232 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 ZINC000106317408 1411194192 /nfs/dbraw/zinc/19/41/92/1411194192.db2.gz SLXUGSHAMOKHNH-UHFFFAOYSA-N 0 3 384.524 3.475 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 ZINC000106324359 1411195161 /nfs/dbraw/zinc/19/51/61/1411195161.db2.gz LPZRVJMFZKJDAB-UHFFFAOYSA-N 0 3 384.524 3.393 20 30 GGEDHN CCN1CCN([C@@H]2CCN(c3c(C#N)cnc4c(F)ccc(Cl)c43)C2)CC1 ZINC000106479608 1411224005 /nfs/dbraw/zinc/22/40/05/1411224005.db2.gz IEXXSVCLNAEXCF-OAHLLOKOSA-N 0 3 387.890 3.115 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000106575669 1411252096 /nfs/dbraw/zinc/25/20/96/1411252096.db2.gz PJDCJMHJJFRHQL-NRFANRHFSA-N 0 3 380.467 3.458 20 30 GGEDHN N#CC(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)NC1CC1 ZINC000107409233 1411375129 /nfs/dbraw/zinc/37/51/29/1411375129.db2.gz MPAIJYFEPQMPJP-NSHDSACASA-N 0 3 381.379 3.235 20 30 GGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000107409358 1411375149 /nfs/dbraw/zinc/37/51/49/1411375149.db2.gz FFZLXRSYPHMFIY-NSHDSACASA-N 0 3 383.395 3.481 20 30 GGEDHN N#CC(C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1)C(=O)NC1CC1 ZINC000107409231 1411375167 /nfs/dbraw/zinc/37/51/67/1411375167.db2.gz MPAIJYFEPQMPJP-LLVKDONJSA-N 0 3 381.379 3.235 20 30 GGEDHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)cn1 ZINC000107575030 1411388784 /nfs/dbraw/zinc/38/87/84/1411388784.db2.gz RPDGBVVDWIQDAE-UHFFFAOYSA-N 0 3 376.382 3.176 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000107747682 1411405276 /nfs/dbraw/zinc/40/52/76/1411405276.db2.gz GMNRYXCDPMZGLY-KRWDZBQOSA-N 0 3 385.430 3.079 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1csc(I)c1 ZINC000107876521 1411426083 /nfs/dbraw/zinc/42/60/83/1411426083.db2.gz HOXJFAOLLOTIKW-NSHDSACASA-N 0 3 396.209 3.314 20 30 GGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000108358252 1411480167 /nfs/dbraw/zinc/48/01/67/1411480167.db2.gz LINKLZVNRIMMEO-QGZVFWFLSA-N 0 3 386.565 3.437 20 30 GGEDHN C=CCN(CCC(=O)NC(=O)NCc1ccccc1)Cc1ccc(OC)cc1 ZINC000108406849 1411492388 /nfs/dbraw/zinc/49/23/88/1411492388.db2.gz MUWKNNPUJKSYRF-UHFFFAOYSA-N 0 3 381.476 3.099 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493012 1411519519 /nfs/dbraw/zinc/51/95/19/1411519519.db2.gz MXRMWHNXEIAHRT-FYYLOGMGSA-N 0 3 398.478 3.077 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1C1CC1 ZINC000177069922 1428576590 /nfs/dbraw/zinc/57/65/90/1428576590.db2.gz YZVWROGUSYPXJU-JXFKEZNVSA-N 0 3 375.472 3.492 20 30 GGEDHN N#Cc1ccc(CN2CCN(C(=O)c3cccc(CN4CCCC4)c3)CC2)cc1 ZINC000108703687 1411579763 /nfs/dbraw/zinc/57/97/63/1411579763.db2.gz OONOURDPRFEAFS-UHFFFAOYSA-N 0 3 388.515 3.112 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC000108711839 1411581487 /nfs/dbraw/zinc/58/14/87/1411581487.db2.gz XMUNYXNXURYDPW-UHFFFAOYSA-N 0 3 376.500 3.365 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1C1CC1 ZINC000177076244 1428579623 /nfs/dbraw/zinc/57/96/23/1428579623.db2.gz BSIHSUPWMLTYFQ-UZLBHIALSA-N 0 3 375.472 3.492 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccccc3F)cc2)CC1 ZINC000108799814 1411615782 /nfs/dbraw/zinc/61/57/82/1411615782.db2.gz NUDWGEQKEKQASP-OAQYLSRUSA-N 0 3 380.467 3.351 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cnccc21 ZINC000108937861 1411646497 /nfs/dbraw/zinc/64/64/97/1411646497.db2.gz QNVHQFBWSAKUBP-SFHVURJKSA-N 0 3 396.410 3.085 20 30 GGEDHN C=CCNC(=O)C(C#N)C(=O)CCCCOc1ccc(Br)cc1 ZINC000108937974 1411646932 /nfs/dbraw/zinc/64/69/32/1411646932.db2.gz OFAZNLUVPLQTCF-HNNXBMFYSA-N 0 3 379.254 3.009 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000109020805 1411662305 /nfs/dbraw/zinc/66/23/05/1411662305.db2.gz CNXYRCRISSZVSV-UHFFFAOYSA-N 0 3 378.476 3.317 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2ncccc21 ZINC000109038646 1411668221 /nfs/dbraw/zinc/66/82/21/1411668221.db2.gz FPMWLLCDMHZXIV-KRWDZBQOSA-N 0 3 396.410 3.085 20 30 GGEDHN COc1ccc([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)N2CCCC2)cc1 ZINC000110170806 1411835540 /nfs/dbraw/zinc/83/55/40/1411835540.db2.gz CPLPLEDPEYYIKC-QFIPXVFZSA-N 0 3 393.487 3.093 20 30 GGEDHN CC(C)(CNC(=O)Cc1ccc(OCC#N)cc1)N1CCc2ccccc2C1 ZINC000110204883 1411837757 /nfs/dbraw/zinc/83/77/57/1411837757.db2.gz UWWODTSKWZAAPZ-UHFFFAOYSA-N 0 3 377.488 3.085 20 30 GGEDHN N#Cc1ccc(OCCN2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000110423510 1411849907 /nfs/dbraw/zinc/84/99/07/1411849907.db2.gz SKFWULDODZBCFO-UHFFFAOYSA-N 0 3 375.432 3.262 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(CN(C)Cc3cscn3)c2)CC1 ZINC000110492774 1411852925 /nfs/dbraw/zinc/85/29/25/1411852925.db2.gz RGQVSWWYEUZSJW-UHFFFAOYSA-N 0 3 382.533 3.059 20 30 GGEDHN CN1CCN(CCCCNC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000111718016 1412016086 /nfs/dbraw/zinc/01/60/86/1412016086.db2.gz GEUYLTRAUBJKDE-UHFFFAOYSA-N 0 3 390.531 3.236 20 30 GGEDHN CC(C)CN(CCN(C)C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000111897353 1412046360 /nfs/dbraw/zinc/04/63/60/1412046360.db2.gz PWEZZZZGSBJOGO-UHFFFAOYSA-N 0 3 386.540 3.477 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(F)cc1F ZINC000112216901 1412094886 /nfs/dbraw/zinc/09/48/86/1412094886.db2.gz AMSGZFIAFASKJL-UHFFFAOYSA-N 0 3 386.446 3.152 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3nc4cc(C)ccc4o3)CC2)CC1 ZINC000112391332 1412138644 /nfs/dbraw/zinc/13/86/44/1412138644.db2.gz RMCAEPOAAAOAQM-UHFFFAOYSA-N 0 3 397.523 3.008 20 30 GGEDHN Cc1cc(N2CCCN(Cc3cnn(C)c3)CC2)n2c3ccccc3nc2c1C#N ZINC000112556891 1412168184 /nfs/dbraw/zinc/16/81/84/1412168184.db2.gz NMVWVMAFCVBJIR-UHFFFAOYSA-N 0 3 399.502 3.113 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cc(Cl)nc(N3CCCC3)c2)c1 ZINC000112758899 1412213383 /nfs/dbraw/zinc/21/33/83/1412213383.db2.gz MKEWOPXTOPDWBA-INIZCTEOSA-N 0 3 398.850 3.305 20 30 GGEDHN N#CCCn1cc(CNCc2cccnc2-n2cccn2)c(-c2ccccc2)n1 ZINC000113320451 1412292563 /nfs/dbraw/zinc/29/25/63/1412292563.db2.gz AOKZBFKFDDJNDA-UHFFFAOYSA-N 0 3 383.459 3.334 20 30 GGEDHN C#CCCOc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000113327060 1412293248 /nfs/dbraw/zinc/29/32/48/1412293248.db2.gz LVRNNINFINJLGE-UHFFFAOYSA-N 0 3 382.479 3.479 20 30 GGEDHN CCc1ccc([C@@H](CNC(=O)NCc2cccc(OCC#N)c2)N(C)C)cc1 ZINC000113580514 1412317975 /nfs/dbraw/zinc/31/79/75/1412317975.db2.gz GYVUDLZBGWDEOJ-OAQYLSRUSA-N 0 3 380.492 3.253 20 30 GGEDHN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000113654245 1412331555 /nfs/dbraw/zinc/33/15/55/1412331555.db2.gz ZJGCWGVPJDGRLP-DGCLKSJQSA-N 0 3 376.819 3.441 20 30 GGEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000113971926 1412360512 /nfs/dbraw/zinc/36/05/12/1412360512.db2.gz POSHBDFWOOJBIW-HXUWFJFHSA-N 0 3 380.492 3.299 20 30 GGEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000114257574 1412398457 /nfs/dbraw/zinc/39/84/57/1412398457.db2.gz KESMRMRRQXPERI-UHFFFAOYSA-N 0 3 388.471 3.328 20 30 GGEDHN C#CCN1CCC(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCCC2)CC1 ZINC000114294193 1412405056 /nfs/dbraw/zinc/40/50/56/1412405056.db2.gz CZMAVONYGNUYMU-UHFFFAOYSA-N 0 3 398.547 3.367 20 30 GGEDHN C#CCOc1ccc(Br)cc1CNCc1cc(OC)ccc1O ZINC000114506266 1412448007 /nfs/dbraw/zinc/44/80/07/1412448007.db2.gz BOXONIXINOPLFC-UHFFFAOYSA-N 0 3 376.250 3.465 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)cc1OC ZINC000114618089 1412478957 /nfs/dbraw/zinc/47/89/57/1412478957.db2.gz AJKTWRVSDLZFAQ-CRAIPNDOSA-N 0 3 386.492 3.288 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1 ZINC000114810912 1412531610 /nfs/dbraw/zinc/53/16/10/1412531610.db2.gz ABZCLJQIALUQBX-OAQYLSRUSA-N 0 3 392.503 3.389 20 30 GGEDHN COCCn1cnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000115381568 1412662701 /nfs/dbraw/zinc/66/27/01/1412662701.db2.gz YBOITWITYSKMGW-CQSZACIVSA-N 0 3 399.501 3.017 20 30 GGEDHN C[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000177304447 1428680250 /nfs/dbraw/zinc/68/02/50/1428680250.db2.gz DSMADXQGQPOTIY-HOTGVXAUSA-N 0 3 387.505 3.251 20 30 GGEDHN COc1cc(CN[C@H](C(N)=O)C(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000116879001 1412947232 /nfs/dbraw/zinc/94/72/32/1412947232.db2.gz YSXJXKDSNKJFRJ-HXUWFJFHSA-N 0 3 381.476 3.135 20 30 GGEDHN Cc1ccc(CN(C)C)cc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000177319729 1428686112 /nfs/dbraw/zinc/68/61/12/1428686112.db2.gz PZWBUIPEFDYMSO-UHFFFAOYSA-N 0 3 390.491 3.159 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 ZINC000117021040 1412982746 /nfs/dbraw/zinc/98/27/46/1412982746.db2.gz UPUUNZSWLKORCY-UHFFFAOYSA-N 0 3 388.512 3.483 20 30 GGEDHN CCOC(=O)CCCCCN1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000117876053 1413085666 /nfs/dbraw/zinc/08/56/66/1413085666.db2.gz OFHXPKNRTYKIAK-UHFFFAOYSA-N 0 3 380.492 3.352 20 30 GGEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118125162 1413114271 /nfs/dbraw/zinc/11/42/71/1413114271.db2.gz QELLNJGUICPNHU-JKSUJKDBSA-N 0 3 388.537 3.010 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000118481730 1413165371 /nfs/dbraw/zinc/16/53/71/1413165371.db2.gz QKZNZKWQWGMTDL-KRWDZBQOSA-N 0 3 386.323 3.367 20 30 GGEDHN CCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)CC1 ZINC000118826827 1413235138 /nfs/dbraw/zinc/23/51/38/1413235138.db2.gz LZFSSEAWLYSPAJ-UHFFFAOYSA-N 0 3 397.498 3.071 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000118878323 1413256823 /nfs/dbraw/zinc/25/68/23/1413256823.db2.gz QMOQFWNAJSJCFT-UHFFFAOYSA-N 0 3 388.471 3.346 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000118970308 1413281309 /nfs/dbraw/zinc/28/13/09/1413281309.db2.gz GTKOPQHREQCWIJ-UHFFFAOYSA-N 0 3 388.475 3.340 20 30 GGEDHN C#CCOc1ccc(F)cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119178683 1413367145 /nfs/dbraw/zinc/36/71/45/1413367145.db2.gz NBRHUNHVEFHZOW-UHFFFAOYSA-N 0 3 396.462 3.294 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000119345555 1413418456 /nfs/dbraw/zinc/41/84/56/1413418456.db2.gz DVNKIADPPCOIJV-QGZVFWFLSA-N 0 3 386.835 3.061 20 30 GGEDHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000119458742 1413453821 /nfs/dbraw/zinc/45/38/21/1413453821.db2.gz PYFYFZYEYVTERM-INIZCTEOSA-N 0 3 387.505 3.210 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2F)cc1 ZINC000119645030 1413514301 /nfs/dbraw/zinc/51/43/01/1413514301.db2.gz JTLGZAWQOLALDN-MRXNPFEDSA-N 0 3 388.370 3.480 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000119699769 1413537172 /nfs/dbraw/zinc/53/71/72/1413537172.db2.gz AJSKWHUXDWNRPF-UTKZUKDTSA-N 0 3 379.529 3.428 20 30 GGEDHN N#CC(C(=O)Cn1c2ccccc2nc1SC(F)F)C(=O)NC1CCCC1 ZINC000119785553 1413568309 /nfs/dbraw/zinc/56/83/09/1413568309.db2.gz IIXAMEDXIGUEMR-GFCCVEGCSA-N 0 3 392.431 3.119 20 30 GGEDHN N#CC(C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)NC1CCCC1 ZINC000119893147 1413607390 /nfs/dbraw/zinc/60/73/90/1413607390.db2.gz JLKZPGOXLHYQDA-KRWDZBQOSA-N 0 3 383.473 3.342 20 30 GGEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1nc2cc(Cl)ccc2s1 ZINC000119993711 1413645536 /nfs/dbraw/zinc/64/55/36/1413645536.db2.gz NEMPCZXYIRITIU-CYBMUJFWSA-N 0 3 385.832 3.304 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000120455024 1413821526 /nfs/dbraw/zinc/82/15/26/1413821526.db2.gz RCNLOLPAHOJUMH-INIZCTEOSA-N 0 3 394.818 3.495 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000120455236 1413821650 /nfs/dbraw/zinc/82/16/50/1413821650.db2.gz KSCXFESLAHBWEM-QGZVFWFLSA-N 0 3 384.505 3.070 20 30 GGEDHN CN1CCN(CCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000177479145 1428760217 /nfs/dbraw/zinc/76/02/17/1428760217.db2.gz YHWDMBJHIVKFRU-UHFFFAOYSA-N 0 3 394.544 3.077 20 30 GGEDHN CCC(CC)(CNCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(=O)OC ZINC000120822213 1413915479 /nfs/dbraw/zinc/91/54/79/1413915479.db2.gz GCHOTYAFPKWABU-UHFFFAOYSA-N 0 3 391.537 3.396 20 30 GGEDHN COc1ccccc1SCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000120834133 1413919921 /nfs/dbraw/zinc/91/99/21/1413919921.db2.gz OVYJUZNNICRHRC-UHFFFAOYSA-N 0 3 383.517 3.249 20 30 GGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1CCC(C)C ZINC000120900415 1413942410 /nfs/dbraw/zinc/94/24/10/1413942410.db2.gz WJLMLOVQMCKRHD-UHFFFAOYSA-N 0 3 381.524 3.313 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000120947280 1413956885 /nfs/dbraw/zinc/95/68/85/1413956885.db2.gz PMHOECJEKBWEAR-MRXNPFEDSA-N 0 3 378.407 3.099 20 30 GGEDHN N#Cc1cc(F)c(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c(F)c1 ZINC000121045714 1413988254 /nfs/dbraw/zinc/98/82/54/1413988254.db2.gz TZRQZHDNEPLJAD-UHFFFAOYSA-N 0 3 385.414 3.293 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000177501653 1428772030 /nfs/dbraw/zinc/77/20/30/1428772030.db2.gz XFGQEQTWNDGTQP-INIZCTEOSA-N 0 3 383.496 3.061 20 30 GGEDHN N#CC(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)N1CCCC1 ZINC000121167585 1414030619 /nfs/dbraw/zinc/03/06/19/1414030619.db2.gz ACKJMKKLIXZKSG-NSHDSACASA-N 0 3 379.894 3.399 20 30 GGEDHN Cn1c(CNC2CCN(c3ccc(C#N)cn3)CC2)nc2cc(Cl)ccc21 ZINC000121625176 1414204704 /nfs/dbraw/zinc/20/47/04/1414204704.db2.gz CISDHLNMQYFTBL-UHFFFAOYSA-N 0 3 380.883 3.252 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000121859814 1414281578 /nfs/dbraw/zinc/28/15/78/1414281578.db2.gz ZEJXGEBKUBIOID-AWEZNQCLSA-N 0 3 399.332 3.247 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000122140831 1414371584 /nfs/dbraw/zinc/37/15/84/1414371584.db2.gz MPITVGHXWAQNMJ-CYBMUJFWSA-N 0 3 377.429 3.494 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000122156645 1414375540 /nfs/dbraw/zinc/37/55/40/1414375540.db2.gz UUOMMTMMNPHBLX-MRXNPFEDSA-N 0 3 381.480 3.162 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000122164799 1414377678 /nfs/dbraw/zinc/37/76/78/1414377678.db2.gz SAGFWQMAPHLAAA-OAHLLOKOSA-N 0 3 396.397 3.238 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000122264735 1414405500 /nfs/dbraw/zinc/40/55/00/1414405500.db2.gz YVXQJOXJSGVGCT-HNNXBMFYSA-N 0 3 385.427 3.009 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000177601047 1428807418 /nfs/dbraw/zinc/80/74/18/1428807418.db2.gz VXRFXPRNSUABNW-XJKSGUPXSA-N 0 3 382.391 3.391 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)CC1 ZINC000122449338 1414463438 /nfs/dbraw/zinc/46/34/38/1414463438.db2.gz STROFELQVMRABC-UHFFFAOYSA-N 0 3 375.444 3.456 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)nc1Cl ZINC000122479818 1414476254 /nfs/dbraw/zinc/47/62/54/1414476254.db2.gz RMUBFVVFPFEJLH-UHFFFAOYSA-N 0 3 377.275 3.464 20 30 GGEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122600875 1414513220 /nfs/dbraw/zinc/51/32/20/1414513220.db2.gz ZETLWMBGXKTPHH-OAHLLOKOSA-N 0 3 389.443 3.072 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccnc1 ZINC000122758294 1414557677 /nfs/dbraw/zinc/55/76/77/1414557677.db2.gz WUWVLBGBTDTPND-ZDUSSCGKSA-N 0 3 384.490 3.094 20 30 GGEDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177651009 1428822749 /nfs/dbraw/zinc/82/27/49/1428822749.db2.gz KABZLWNGKYLQFI-UHFFFAOYSA-N 0 3 389.443 3.120 20 30 GGEDHN N#Cc1cccc(NC(=O)CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 ZINC000123104693 1414642925 /nfs/dbraw/zinc/64/29/25/1414642925.db2.gz NLSCUEMFOHLIID-UHFFFAOYSA-N 0 3 377.444 3.327 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccccn1 ZINC000123476156 1414745648 /nfs/dbraw/zinc/74/56/48/1414745648.db2.gz RDCCXRUBSUKDKU-GFCCVEGCSA-N 0 3 384.490 3.094 20 30 GGEDHN C=CCc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc(OC)c1OC ZINC000123682926 1414809362 /nfs/dbraw/zinc/80/93/62/1414809362.db2.gz CAWKGNPUMMFGFW-IAGOWNOFSA-N 0 3 390.524 3.052 20 30 GGEDHN C=CCc1cc(C(=O)NCCCCN2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000123682435 1414809471 /nfs/dbraw/zinc/80/94/71/1414809471.db2.gz CAWKGNPUMMFGFW-CALCHBBNSA-N 0 3 390.524 3.052 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000123686166 1414809707 /nfs/dbraw/zinc/80/97/07/1414809707.db2.gz FLCMOHBJXFLFOD-GJZGRUSLSA-N 0 3 382.464 3.397 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000123685698 1414809926 /nfs/dbraw/zinc/80/99/26/1414809926.db2.gz FLCMOHBJXFLFOD-LSDHHAIUSA-N 0 3 382.464 3.397 20 30 GGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123751082 1414819655 /nfs/dbraw/zinc/81/96/55/1414819655.db2.gz YFHWUKGEWFCNMJ-HUUCEWRRSA-N 0 3 385.899 3.227 20 30 GGEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123940913 1414853755 /nfs/dbraw/zinc/85/37/55/1414853755.db2.gz WDHUXRHSAJRMKF-IBGZPJMESA-N 0 3 389.499 3.016 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000123949976 1414856059 /nfs/dbraw/zinc/85/60/59/1414856059.db2.gz KYTDWJLJYLJVBQ-SFHVURJKSA-N 0 3 384.505 3.070 20 30 GGEDHN COc1ccc(CNC[C@H](O)c2c(F)cccc2F)cc1OCCCC#N ZINC000124008092 1414867765 /nfs/dbraw/zinc/86/77/65/1414867765.db2.gz DBKQSNFXWHWKML-KRWDZBQOSA-N 0 3 376.403 3.479 20 30 GGEDHN Cc1ccccc1CCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000124102727 1414886112 /nfs/dbraw/zinc/88/61/12/1414886112.db2.gz YSRAYTLCZIWEMX-UHFFFAOYSA-N 0 3 381.520 3.221 20 30 GGEDHN C=CCn1c(-c2ccccc2OC)nn(CN2CCN(CC3CC3)CC2)c1=S ZINC000124203765 1414907883 /nfs/dbraw/zinc/90/78/83/1414907883.db2.gz SNGVDWNPKTUOJK-UHFFFAOYSA-N 0 3 399.564 3.261 20 30 GGEDHN C=CCn1c(Cc2ccccc2)nn(CN2CCN(CC3CC3)CC2)c1=S ZINC000124218825 1414912245 /nfs/dbraw/zinc/91/22/45/1414912245.db2.gz DVKNOJCJCPLCNN-UHFFFAOYSA-N 0 3 383.565 3.176 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000124345073 1414944853 /nfs/dbraw/zinc/94/48/53/1414944853.db2.gz ORRUUBGUPIYKJY-AAEUAGOBSA-N 0 3 387.263 3.012 20 30 GGEDHN Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)C(=O)N3CCCC3)cc12 ZINC000124433106 1414966538 /nfs/dbraw/zinc/96/65/38/1414966538.db2.gz YFZFGQBCQRXTCV-MRXNPFEDSA-N 0 3 378.457 3.340 20 30 GGEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1N1CCNC1=O ZINC000177761563 1428852095 /nfs/dbraw/zinc/85/20/95/1428852095.db2.gz YNZMLOGWFIJLPV-ZDUSSCGKSA-N 0 3 384.461 3.295 20 30 GGEDHN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1)C2=O ZINC000177767441 1428853890 /nfs/dbraw/zinc/85/38/90/1428853890.db2.gz QCPQQZNUVJFDJN-WFASDCNBSA-N 0 3 381.457 3.436 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccn1 ZINC000125089363 1415107075 /nfs/dbraw/zinc/10/70/75/1415107075.db2.gz BOJZSSQWYRBVTI-AWEZNQCLSA-N 0 3 395.806 3.065 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c([O-])c1 ZINC000125159228 1415121344 /nfs/dbraw/zinc/12/13/44/1415121344.db2.gz PXJRDECPOCQOJJ-GXDFBKAQSA-N 0 3 395.503 3.337 20 30 GGEDHN CC(C)Oc1ncccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000125233434 1415135600 /nfs/dbraw/zinc/13/56/00/1415135600.db2.gz FSIFWKNIXFGSQY-UHFFFAOYSA-N 0 3 381.480 3.336 20 30 GGEDHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000125444140 1415200553 /nfs/dbraw/zinc/20/05/53/1415200553.db2.gz BBKXPCQIPRNRRE-GDBMZVCRSA-N 0 3 380.872 3.056 20 30 GGEDHN Cc1ccc(-c2nc(CC(=O)C(C#N)C(=O)NCCCOC(C)C)cs2)cc1 ZINC000125515146 1415218455 /nfs/dbraw/zinc/21/84/55/1415218455.db2.gz NWXZVMRXIMJSMF-GOSISDBHSA-N 0 3 399.516 3.301 20 30 GGEDHN Cc1cc(-c2noc(CCC(=O)C(C#N)C(=O)Nc3ccccc3)n2)ccc1F ZINC000125528366 1415220452 /nfs/dbraw/zinc/22/04/52/1415220452.db2.gz PJNNAYKOTPGJHI-INIZCTEOSA-N 0 3 392.390 3.464 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000125534065 1415221537 /nfs/dbraw/zinc/22/15/37/1415221537.db2.gz OAKXGQNHVKMIFG-MRXNPFEDSA-N 0 3 379.807 3.190 20 30 GGEDHN Cc1cc(O[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)ccc1Cl ZINC000125537224 1415222131 /nfs/dbraw/zinc/22/21/31/1415222131.db2.gz WUDUAZJIOFGAHJ-ZBFHGGJFSA-N 0 3 380.872 3.056 20 30 GGEDHN Cc1cc(O[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)ccc1Cl ZINC000125537003 1415222381 /nfs/dbraw/zinc/22/23/81/1415222381.db2.gz WUDUAZJIOFGAHJ-HOCLYGCPSA-N 0 3 380.872 3.056 20 30 GGEDHN C=C(C)Cn1c(-c2ccncc2)nn(CN2CCN(CC(C)C)CC2)c1=S ZINC000177886164 1428883081 /nfs/dbraw/zinc/88/30/81/1428883081.db2.gz NWMGKBWNFFFUDH-UHFFFAOYSA-N 0 3 386.569 3.283 20 30 GGEDHN C[C@@H](Sc1nnnn1C1CC1)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000125700020 1415257478 /nfs/dbraw/zinc/25/74/78/1415257478.db2.gz NMPGFQFJXMHJSY-RISCZKNCSA-N 0 3 396.501 3.489 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccccc2F)cc1 ZINC000125717395 1415260806 /nfs/dbraw/zinc/26/08/06/1415260806.db2.gz YOCJLAQEHGXHAN-QGZVFWFLSA-N 0 3 384.407 3.019 20 30 GGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000177895775 1428885955 /nfs/dbraw/zinc/88/59/55/1428885955.db2.gz KGPJALWVWVSKTB-GOSISDBHSA-N 0 3 398.528 3.334 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177902739 1428887622 /nfs/dbraw/zinc/88/76/22/1428887622.db2.gz FTMYBBOHKSBJFN-IYBDPMFKSA-N 0 3 388.487 3.441 20 30 GGEDHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000125993405 1415332120 /nfs/dbraw/zinc/33/21/20/1415332120.db2.gz YPUWCLJRDBOYLI-KNQAVFIVSA-N 0 3 392.503 3.434 20 30 GGEDHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)cc1 ZINC000126051071 1415345317 /nfs/dbraw/zinc/34/53/17/1415345317.db2.gz HFZZPFCJLXJIGN-UWJYYQICSA-N 0 3 396.466 3.264 20 30 GGEDHN CC(C)N(C)S(=O)(=O)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126168592 1415375539 /nfs/dbraw/zinc/37/55/39/1415375539.db2.gz BRLHQEBDVGXPQZ-UHFFFAOYSA-N 0 3 397.544 3.429 20 30 GGEDHN N#CCCN(CCC#N)C(=O)CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000177996891 1428922649 /nfs/dbraw/zinc/92/26/49/1428922649.db2.gz OEMPQJUIASYSHE-NHCUHLMSSA-N 0 3 382.508 3.011 20 30 GGEDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126722850 1415539542 /nfs/dbraw/zinc/53/95/42/1415539542.db2.gz XRKPJPYAPHYESD-DYVFJYSZSA-N 0 3 383.429 3.101 20 30 GGEDHN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126722334 1415539605 /nfs/dbraw/zinc/53/96/05/1415539605.db2.gz XRKPJPYAPHYESD-CXAGYDPISA-N 0 3 383.429 3.101 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000126779634 1415556272 /nfs/dbraw/zinc/55/62/72/1415556272.db2.gz AEBHAVCSTXFTFF-INIZCTEOSA-N 0 3 386.323 3.367 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178041311 1428952501 /nfs/dbraw/zinc/95/25/01/1428952501.db2.gz NZAWQJCFLAVSNM-IBGZPJMESA-N 0 3 393.487 3.088 20 30 GGEDHN Cc1ccc(-c2nc(CC(=O)C(C#N)C(=O)NCc3ccccc3)cs2)o1 ZINC000126959486 1415618282 /nfs/dbraw/zinc/61/82/82/1415618282.db2.gz HEUJGACEDLMKAS-INIZCTEOSA-N 0 3 379.441 3.279 20 30 GGEDHN N#CC(C(=O)Cc1csc(Cc2ccccc2)n1)C(=O)NCc1ccccc1 ZINC000126966294 1415620473 /nfs/dbraw/zinc/62/04/73/1415620473.db2.gz VXYBSCNPKCQIJG-LJQANCHMSA-N 0 3 389.480 3.302 20 30 GGEDHN N#Cc1ccc(SCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000127050744 1415648697 /nfs/dbraw/zinc/64/86/97/1415648697.db2.gz BCSQUDTWVNTGHC-UHFFFAOYSA-N 0 3 395.528 3.493 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000127085330 1415657600 /nfs/dbraw/zinc/65/76/00/1415657600.db2.gz YROQCQLQVHFMPP-OAHLLOKOSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccc(F)c(F)c2)c1 ZINC000127131738 1415666907 /nfs/dbraw/zinc/66/69/07/1415666907.db2.gz OHOHNUIZVGOXQQ-CQSZACIVSA-N 0 3 376.384 3.413 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(F)c(Cl)c2)c1 ZINC000127167445 1415677069 /nfs/dbraw/zinc/67/70/69/1415677069.db2.gz AUPXZFBQXWQVPE-AWEZNQCLSA-N 0 3 376.771 3.214 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@@H](C)O1 ZINC000127237558 1415698743 /nfs/dbraw/zinc/69/87/43/1415698743.db2.gz QQOVWHJESMKSGN-HUUCEWRRSA-N 0 3 391.462 3.188 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000127725335 1415839573 /nfs/dbraw/zinc/83/95/73/1415839573.db2.gz JINMLAXGGDBOEJ-SJLPKXTDSA-N 0 3 375.428 3.234 20 30 GGEDHN CN(Cc1cccc(OC(F)(F)F)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000127837914 1415860259 /nfs/dbraw/zinc/86/02/59/1415860259.db2.gz BNEZZDCWSGRFJV-INIZCTEOSA-N 0 3 380.366 3.329 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(NC(=O)OC)cc(C(F)(F)F)c2)CC1 ZINC000178232846 1429025510 /nfs/dbraw/zinc/02/55/10/1429025510.db2.gz QSNGXFYYRUBKBT-UHFFFAOYSA-N 0 3 385.386 3.264 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233110 1429025724 /nfs/dbraw/zinc/02/57/24/1429025724.db2.gz YHSIZMVVMAJLBJ-MSOLQXFVSA-N 0 3 393.572 3.426 20 30 GGEDHN Cc1cc(=O)n(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000128461367 1415992791 /nfs/dbraw/zinc/99/27/91/1415992791.db2.gz CBSDVCODTWWCOW-CQSZACIVSA-N 0 3 394.412 3.065 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COc2ccc3ccc(=O)oc3c2)cc1 ZINC000128480226 1415996811 /nfs/dbraw/zinc/99/68/11/1415996811.db2.gz VZWPBAXTIWETPF-GOSISDBHSA-N 0 3 390.395 3.082 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000128509692 1416002736 /nfs/dbraw/zinc/00/27/36/1416002736.db2.gz GRAPREWUGXPOKU-PKOBYXMFSA-N 0 3 389.455 3.488 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000128509249 1416002863 /nfs/dbraw/zinc/00/28/63/1416002863.db2.gz GRAPREWUGXPOKU-IEBWSBKVSA-N 0 3 389.455 3.488 20 30 GGEDHN C=CCC(CC=C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000128686085 1416043045 /nfs/dbraw/zinc/04/30/45/1416043045.db2.gz KTPFKFJUBSYWHE-HXUWFJFHSA-N 0 3 382.552 3.211 20 30 GGEDHN Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000128753212 1416059005 /nfs/dbraw/zinc/05/90/05/1416059005.db2.gz OKMBKYVGKUFIAI-UHFFFAOYSA-N 0 3 392.503 3.339 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cn(Cc2ccccc2)nn1 ZINC000128757272 1416060412 /nfs/dbraw/zinc/06/04/12/1416060412.db2.gz IULMZSNUUJACJU-IBGZPJMESA-N 0 3 395.422 3.441 20 30 GGEDHN C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128822529 1416077814 /nfs/dbraw/zinc/07/78/14/1416077814.db2.gz YWVWSKBUXVBAFR-WCQYABFASA-N 0 3 382.470 3.261 20 30 GGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(=O)c1cccs1 ZINC000128874169 1416090186 /nfs/dbraw/zinc/09/01/86/1416090186.db2.gz PVRQNHDMUPCFCB-ZDUSSCGKSA-N 0 3 382.470 3.215 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000178303453 1429046833 /nfs/dbraw/zinc/04/68/33/1429046833.db2.gz BKIQORNNSKDKHU-GBESFXJTSA-N 0 3 377.271 3.489 20 30 GGEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000178413614 1429072354 /nfs/dbraw/zinc/07/23/54/1429072354.db2.gz YBUMAIITWDRSQJ-HNNXBMFYSA-N 0 3 393.281 3.158 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178409541 1429072578 /nfs/dbraw/zinc/07/25/78/1429072578.db2.gz UMCCCOULUQZDPY-HXUWFJFHSA-N 0 3 378.476 3.005 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000129036722 1416131182 /nfs/dbraw/zinc/13/11/82/1416131182.db2.gz QPXQNHUHEKRMHA-AWEZNQCLSA-N 0 3 398.463 3.436 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000178383806 1429066238 /nfs/dbraw/zinc/06/62/38/1429066238.db2.gz MBTNCBZQUIJEAW-SFTDATJTSA-N 0 3 379.508 3.061 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCCc2sccc2C)cc1 ZINC000129474003 1416215702 /nfs/dbraw/zinc/21/57/02/1416215702.db2.gz QKORBHQATFFBRP-SFHVURJKSA-N 0 3 384.501 3.456 20 30 GGEDHN N#CC(C(=O)CCOC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129782283 1416263155 /nfs/dbraw/zinc/26/31/55/1416263155.db2.gz RFKTURJTNNFLEX-STQMWFEESA-N 0 3 385.247 3.226 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000129866680 1416276365 /nfs/dbraw/zinc/27/63/65/1416276365.db2.gz XRLNXWGGYYGXLN-OCCSQVGLSA-N 0 3 388.370 3.478 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000129867231 1416277032 /nfs/dbraw/zinc/27/70/32/1416277032.db2.gz XRLNXWGGYYGXLN-GXTWGEPZSA-N 0 3 388.370 3.478 20 30 GGEDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000129883950 1416279637 /nfs/dbraw/zinc/27/96/37/1416279637.db2.gz SRNNNEDZUPFBJW-UHFFFAOYSA-N 0 3 398.488 3.392 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000129955235 1416290372 /nfs/dbraw/zinc/29/03/72/1416290372.db2.gz ODABVBUTIVJTHT-CYBMUJFWSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1cc(CN2CCN(CCCC(C)(C)C#N)CC2)cc(OC)c1OC ZINC000178468469 1429084172 /nfs/dbraw/zinc/08/41/72/1429084172.db2.gz SYOHOOXDLXIWHV-UHFFFAOYSA-N 0 3 375.513 3.160 20 30 GGEDHN Cc1cc(N(CCC#N)C(=O)CN2CCN(C3CCCC3)CC2)ccc1Cl ZINC000130128009 1416323384 /nfs/dbraw/zinc/32/33/84/1416323384.db2.gz XEWGYMTWDWFXQM-UHFFFAOYSA-N 0 3 388.943 3.455 20 30 GGEDHN CC(=O)c1cccc(OCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000130139916 1416325548 /nfs/dbraw/zinc/32/55/48/1416325548.db2.gz YUEQOYKIKGRDRW-HNNXBMFYSA-N 0 3 388.782 3.408 20 30 GGEDHN CC(C)(C)C(=O)NCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130188879 1416335692 /nfs/dbraw/zinc/33/56/92/1416335692.db2.gz IOLQGRFTULOWCP-GFCCVEGCSA-N 0 3 381.835 3.069 20 30 GGEDHN COc1ccc(OC)c(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000130215051 1416340542 /nfs/dbraw/zinc/34/05/42/1416340542.db2.gz WFIVYULLDPPWKC-CQSZACIVSA-N 0 3 390.798 3.386 20 30 GGEDHN CC(C)c1noc(CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000130228807 1416343083 /nfs/dbraw/zinc/34/30/83/1416343083.db2.gz KJLUMAGPUWTWRE-NSHDSACASA-N 0 3 378.791 3.266 20 30 GGEDHN COc1cccc(OCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000130262097 1416348470 /nfs/dbraw/zinc/34/84/70/1416348470.db2.gz XKTBVVZTHSNEJN-CQSZACIVSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1cccc(OCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000130262294 1416348552 /nfs/dbraw/zinc/34/85/52/1416348552.db2.gz XKTBVVZTHSNEJN-AWEZNQCLSA-N 0 3 376.771 3.214 20 30 GGEDHN Cc1nccn1CCCN(C)CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000130361228 1416364528 /nfs/dbraw/zinc/36/45/28/1416364528.db2.gz JOVTVFGLYNKLAI-UHFFFAOYSA-N 0 3 387.915 3.422 20 30 GGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000130477620 1416384859 /nfs/dbraw/zinc/38/48/59/1416384859.db2.gz CXVFTANMAQXSFE-LBPRGKRZSA-N 0 3 393.186 3.445 20 30 GGEDHN N#CC(C(=O)CCOC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130500149 1416389685 /nfs/dbraw/zinc/38/96/85/1416389685.db2.gz XHZLCBNMFHMZEW-LSDHHAIUSA-N 0 3 385.247 3.226 20 30 GGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2CCCC[C@H]2C(N)=O)c1C#N ZINC000130661337 1416420076 /nfs/dbraw/zinc/42/00/76/1416420076.db2.gz DSTYWAOCOOCFSE-MJGOQNOKSA-N 0 3 399.539 3.054 20 30 GGEDHN COc1ccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)N2CCCC2)cc1 ZINC000130699662 1416428351 /nfs/dbraw/zinc/42/83/51/1416428351.db2.gz XAQSQJPKWVQXRG-JOCHJYFZSA-N 0 3 393.487 3.093 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000178525819 1429097373 /nfs/dbraw/zinc/09/73/73/1429097373.db2.gz YSJFSZRBKBDKFK-LJQANCHMSA-N 0 3 387.524 3.409 20 30 GGEDHN Cc1nccn1CCCN(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000130926688 1416482347 /nfs/dbraw/zinc/48/23/47/1416482347.db2.gz MHPKLFNUCVMTMY-UHFFFAOYSA-N 0 3 385.537 3.354 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000178537823 1429101066 /nfs/dbraw/zinc/10/10/66/1429101066.db2.gz XOCPVXUBFXFGLW-HXUWFJFHSA-N 0 3 399.535 3.288 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000131229672 1416526992 /nfs/dbraw/zinc/52/69/92/1416526992.db2.gz NDXPBDUOUYOIQE-RBUKOAKNSA-N 0 3 379.508 3.010 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000131229893 1416527038 /nfs/dbraw/zinc/52/70/38/1416527038.db2.gz NDXPBDUOUYOIQE-RTBURBONSA-N 0 3 379.508 3.010 20 30 GGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](Cc3nccn3C)C2)c1C ZINC000131287242 1416535327 /nfs/dbraw/zinc/53/53/27/1416535327.db2.gz IUPKHKIMGWXUHE-FQEVSTJZSA-N 0 3 393.535 3.238 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSc2ccc(F)c(F)c2)cc1 ZINC000131764534 1416615293 /nfs/dbraw/zinc/61/52/93/1416615293.db2.gz AMPNNNQDOKGFJK-CQSZACIVSA-N 0 3 376.384 3.413 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC000131780494 1416618663 /nfs/dbraw/zinc/61/86/63/1416618663.db2.gz XHFXPFIHFNVHEC-HNNXBMFYSA-N 0 3 396.428 3.087 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000131985333 1416666811 /nfs/dbraw/zinc/66/68/11/1416666811.db2.gz GXTSMJBJEWOHFX-IBGZPJMESA-N 0 3 376.391 3.210 20 30 GGEDHN C[C@H](C1CC1)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178613181 1429122427 /nfs/dbraw/zinc/12/24/27/1429122427.db2.gz XNTSHAGKRSNTKH-WBVHZDCISA-N 0 3 384.524 3.086 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CC(C)C)C[C@H](O)c2ccc(F)cc2)CC1 ZINC000178669247 1429134389 /nfs/dbraw/zinc/13/43/89/1429134389.db2.gz DWHAHPRSAHSLRM-FQEVSTJZSA-N 0 3 377.504 3.177 20 30 GGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000133937840 1416998341 /nfs/dbraw/zinc/99/83/41/1416998341.db2.gz YVCFECHAYCWALE-HXUWFJFHSA-N 0 3 397.544 3.399 20 30 GGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(C)c1C#N ZINC000133938009 1416998515 /nfs/dbraw/zinc/99/85/15/1416998515.db2.gz YVCFECHAYCWALE-FQEVSTJZSA-N 0 3 397.544 3.399 20 30 GGEDHN CC[C@@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000134138664 1417027851 /nfs/dbraw/zinc/02/78/51/1417027851.db2.gz IXZZNTAONWAMEY-QFIPXVFZSA-N 0 3 396.491 3.226 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1nc(C2CCCC2)no1 ZINC000134351947 1417059031 /nfs/dbraw/zinc/05/90/31/1417059031.db2.gz HHXXWSKNTQYAMY-UHFFFAOYSA-N 0 3 395.507 3.122 20 30 GGEDHN CC[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)N1CCc2ccccc2C1 ZINC000134520208 1417080842 /nfs/dbraw/zinc/08/08/42/1417080842.db2.gz ZYUYQSFHSBILLO-NRFANRHFSA-N 0 3 377.488 3.085 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1CCC(=O)Nc1sccc1C#N ZINC000134639700 1417102733 /nfs/dbraw/zinc/10/27/33/1417102733.db2.gz MMKRTUMMXHZFJN-DZGCQCFKSA-N 0 3 392.525 3.326 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCC(=O)Nc1sccc1C#N ZINC000134639723 1417103034 /nfs/dbraw/zinc/10/30/34/1417103034.db2.gz MMKRTUMMXHZFJN-HIFRSBDPSA-N 0 3 392.525 3.326 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134929907 1417147351 /nfs/dbraw/zinc/14/73/51/1417147351.db2.gz BAEIUCJEVWWBAG-UTKZUKDTSA-N 0 3 393.535 3.125 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(C3CCCC3)no2)c1 ZINC000134974977 1417155371 /nfs/dbraw/zinc/15/53/71/1417155371.db2.gz GVMGPALNOUDQAH-MRXNPFEDSA-N 0 3 382.420 3.016 20 30 GGEDHN COc1ccc(CN(C)C[C@@H](O)COc2ccccc2C(F)(F)F)cc1C#N ZINC000135083411 1417170956 /nfs/dbraw/zinc/17/09/56/1417170956.db2.gz SFBDLBGVUFCOCF-MRXNPFEDSA-N 0 3 394.393 3.457 20 30 GGEDHN COc1ccc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)cc1C#N ZINC000135083391 1417171134 /nfs/dbraw/zinc/17/11/34/1417171134.db2.gz SFBDLBGVUFCOCF-INIZCTEOSA-N 0 3 394.393 3.457 20 30 GGEDHN CO[C@@H](C)c1noc(CN2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135276093 1417201306 /nfs/dbraw/zinc/20/13/06/1417201306.db2.gz OIEYETXRMBYUOM-KRWDZBQOSA-N 0 3 397.523 3.286 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000135353911 1417210641 /nfs/dbraw/zinc/21/06/41/1417210641.db2.gz MADNGBYUFFVSGD-KRWDZBQOSA-N 0 3 389.540 3.222 20 30 GGEDHN C=CCNc1ncc(C(=O)Nc2ccc(CN3CCN(CC)CC3)cc2)s1 ZINC000136161231 1417296701 /nfs/dbraw/zinc/29/67/01/1417296701.db2.gz HMZGZTBKCMFJPS-UHFFFAOYSA-N 0 3 385.537 3.131 20 30 GGEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)NC1(C#N)CCCCC1 ZINC000136239337 1417303942 /nfs/dbraw/zinc/30/39/42/1417303942.db2.gz VYSRDTXWBWVTRF-GOSISDBHSA-N 0 3 378.904 3.215 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)CCn1ccc2cc(Cl)ccc21 ZINC000136405098 1417314400 /nfs/dbraw/zinc/31/44/00/1417314400.db2.gz YDNPFGIMYAPQHY-QGZVFWFLSA-N 0 3 389.883 3.325 20 30 GGEDHN Cc1c(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C ZINC000136645735 1417334909 /nfs/dbraw/zinc/33/49/09/1417334909.db2.gz RNKZHQBUMASARN-ZDUSSCGKSA-N 0 3 379.247 3.316 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(C(C)=O)c2)cc1 ZINC000138755030 1417437471 /nfs/dbraw/zinc/43/74/71/1417437471.db2.gz DURKRLMVBDCHDY-HXUWFJFHSA-N 0 3 394.427 3.404 20 30 GGEDHN N#CC(C(=O)CCCOCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000140391853 1417500488 /nfs/dbraw/zinc/50/04/88/1417500488.db2.gz AZSYVCNEAIJOIL-GOSISDBHSA-N 0 3 394.427 3.102 20 30 GGEDHN N#CC(C(=O)CCCOCc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000140392011 1417500567 /nfs/dbraw/zinc/50/05/67/1417500567.db2.gz AZSYVCNEAIJOIL-SFHVURJKSA-N 0 3 394.427 3.102 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000143031754 1417608061 /nfs/dbraw/zinc/60/80/61/1417608061.db2.gz DXMFZBCGFWBXIT-QGZVFWFLSA-N 0 3 387.480 3.431 20 30 GGEDHN COc1ccc(CNCCNC(=O)c2ccc(C)cc2)cc1OCCCC#N ZINC000147181176 1417740710 /nfs/dbraw/zinc/74/07/10/1417740710.db2.gz GFPMOYDWGLPYSH-UHFFFAOYSA-N 0 3 381.476 3.206 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151061435 1417864791 /nfs/dbraw/zinc/86/47/91/1417864791.db2.gz RKUSDEIDITVZLD-VQTJNVASSA-N 0 3 392.503 3.077 20 30 GGEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@H]2CCCN(C)C2)cc1C ZINC000151189206 1417890753 /nfs/dbraw/zinc/89/07/53/1417890753.db2.gz FFBCXMCORDJZHU-IBGZPJMESA-N 0 3 379.508 3.247 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000178904072 1429216404 /nfs/dbraw/zinc/21/64/04/1429216404.db2.gz XUIVSPQGBJEOJN-QGZVFWFLSA-N 0 3 381.524 3.061 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000178904085 1429216495 /nfs/dbraw/zinc/21/64/95/1429216495.db2.gz XUIVSPQGBJEOJN-KRWDZBQOSA-N 0 3 381.524 3.061 20 30 GGEDHN CC(C)[C@@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151308862 1417922023 /nfs/dbraw/zinc/92/20/23/1417922023.db2.gz DPJWZKGJBGVDLC-OAQYLSRUSA-N 0 3 385.508 3.429 20 30 GGEDHN Cc1noc(C)c1[C@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000151559333 1418024787 /nfs/dbraw/zinc/02/47/87/1418024787.db2.gz POPWVNPUOCQIOM-OAHLLOKOSA-N 0 3 383.496 3.040 20 30 GGEDHN CN(C(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1)[C@H]1CCCN(C)C1 ZINC000151807983 1418092030 /nfs/dbraw/zinc/09/20/30/1418092030.db2.gz FAEJMTAHMFHGBK-IBGZPJMESA-N 0 3 382.508 3.265 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000179019579 1429243998 /nfs/dbraw/zinc/24/39/98/1429243998.db2.gz APINHFXEPUCMHV-KRWDZBQOSA-N 0 3 384.505 3.070 20 30 GGEDHN CCOC(=O)c1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000179198256 1429292193 /nfs/dbraw/zinc/29/21/93/1429292193.db2.gz TZJQWFAYPWAMHZ-UHFFFAOYSA-N 0 3 394.475 3.331 20 30 GGEDHN CN(CCC#N)C(=O)CCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000179197736 1429292240 /nfs/dbraw/zinc/29/22/40/1429292240.db2.gz DQMQWASPNCSQFQ-UHFFFAOYSA-N 0 3 378.451 3.462 20 30 GGEDHN COC(=O)c1c(F)cccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000179221450 1429298913 /nfs/dbraw/zinc/29/89/13/1429298913.db2.gz GCWPEMWYQHDYMY-UHFFFAOYSA-N 0 3 398.438 3.080 20 30 GGEDHN CCOc1cc(/C=C/C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000179435779 1429375163 /nfs/dbraw/zinc/37/51/63/1429375163.db2.gz DRYNSXIOMAJIOU-ZRDIBKRKSA-N 0 3 393.487 3.266 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456201 1429383268 /nfs/dbraw/zinc/38/32/68/1429383268.db2.gz BEUQVVVDBAEKKB-OAHLLOKOSA-N 0 3 395.297 3.406 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179519188 1429407060 /nfs/dbraw/zinc/40/70/60/1429407060.db2.gz UAXFFGJEXXUUCB-WMZOPIPTSA-N 0 3 392.507 3.197 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179519188 1429407064 /nfs/dbraw/zinc/40/70/64/1429407064.db2.gz UAXFFGJEXXUUCB-WMZOPIPTSA-N 0 3 392.507 3.197 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179519198 1429407145 /nfs/dbraw/zinc/40/71/45/1429407145.db2.gz UAXFFGJEXXUUCB-AEFFLSMTSA-N 0 3 392.507 3.197 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179519198 1429407150 /nfs/dbraw/zinc/40/71/50/1429407150.db2.gz UAXFFGJEXXUUCB-AEFFLSMTSA-N 0 3 392.507 3.197 20 30 GGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1C1CCCC1 ZINC000179651378 1429489819 /nfs/dbraw/zinc/48/98/19/1429489819.db2.gz RIJQJVDBVIKDDG-UHFFFAOYSA-N 0 3 379.508 3.382 20 30 GGEDHN Cc1ccccc1[C@@H](C)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000179665385 1429497801 /nfs/dbraw/zinc/49/78/01/1429497801.db2.gz UBQBIGLXGCQYBL-XMSQKQJNSA-N 0 3 394.494 3.194 20 30 GGEDHN CCc1ccc([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000179665304 1429497989 /nfs/dbraw/zinc/49/79/89/1429497989.db2.gz YUMONCZUMILGAU-FXAWDEMLSA-N 0 3 396.560 3.370 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179702979 1429514378 /nfs/dbraw/zinc/51/43/78/1429514378.db2.gz JVBOTLDTTNXKRD-FQEVSTJZSA-N 0 3 385.895 3.226 20 30 GGEDHN C=CCc1cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000179738236 1429530786 /nfs/dbraw/zinc/53/07/86/1429530786.db2.gz QJMPPTINIVGDCK-HNNXBMFYSA-N 0 3 376.497 3.476 20 30 GGEDHN C=CCN1CCC(NC(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179753555 1429539842 /nfs/dbraw/zinc/53/98/42/1429539842.db2.gz QTNMLZLNMHWUPU-UHFFFAOYSA-N 0 3 379.545 3.180 20 30 GGEDHN C#CCOc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1 ZINC000179754575 1429540255 /nfs/dbraw/zinc/54/02/55/1429540255.db2.gz QFSSAOFLURUEOL-UHFFFAOYSA-N 0 3 392.455 3.278 20 30 GGEDHN COC(=O)c1sccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000153386131 1422508541 /nfs/dbraw/zinc/50/85/41/1422508541.db2.gz VLSYJUUDQKBHGD-UHFFFAOYSA-N 0 3 386.477 3.002 20 30 GGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1c(F)cccc1F ZINC000153414896 1422523359 /nfs/dbraw/zinc/52/33/59/1422523359.db2.gz VNBPPKYOBPZWEZ-SWLSCSKDSA-N 0 3 399.397 3.118 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153422936 1422527520 /nfs/dbraw/zinc/52/75/20/1422527520.db2.gz VOIIWHACELHHBN-QZTJIDSGSA-N 0 3 394.560 3.162 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153422804 1422527600 /nfs/dbraw/zinc/52/76/00/1422527600.db2.gz VOIIWHACELHHBN-ROUUACIJSA-N 0 3 394.560 3.162 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)c2c(F)cccc2F)cc1 ZINC000153438315 1422536506 /nfs/dbraw/zinc/53/65/06/1422536506.db2.gz ULXHPHPCYDNHDB-CZUORRHYSA-N 0 3 386.398 3.145 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)c2c(F)cccc2F)cc1 ZINC000153438197 1422536968 /nfs/dbraw/zinc/53/69/68/1422536968.db2.gz ULXHPHPCYDNHDB-XJKSGUPXSA-N 0 3 386.398 3.145 20 30 GGEDHN C=C(C)Cn1c(-c2ccncc2)nn(CN2CCN(CC3CC3)CC2)c1=S ZINC000153598314 1422639251 /nfs/dbraw/zinc/63/92/51/1422639251.db2.gz MRTLLGGJKJCYQI-UHFFFAOYSA-N 0 3 384.553 3.037 20 30 GGEDHN COC(=O)c1ccc(F)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000153681636 1422699308 /nfs/dbraw/zinc/69/93/08/1422699308.db2.gz GXAPOZKTOZRANC-UHFFFAOYSA-N 0 3 398.438 3.080 20 30 GGEDHN CN(C)CCN(Cc1ccco1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000153902654 1422807990 /nfs/dbraw/zinc/80/79/90/1422807990.db2.gz UJPAWJLYJSOOMD-UHFFFAOYSA-N 0 3 393.409 3.423 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2cccc(C(C)C)c2)cc1 ZINC000155019210 1423118823 /nfs/dbraw/zinc/11/88/23/1423118823.db2.gz OYOWIPRMFAVOOW-OAQYLSRUSA-N 0 3 394.471 3.265 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000155055367 1423137952 /nfs/dbraw/zinc/13/79/52/1423137952.db2.gz PQAWTTHXJSUSSN-FZKQIMNGSA-N 0 3 386.835 3.141 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000155062321 1423141565 /nfs/dbraw/zinc/14/15/65/1423141565.db2.gz WHUOOBOCCDHDHH-FQEVSTJZSA-N 0 3 380.444 3.223 20 30 GGEDHN COc1cc(N[C@@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155123087 1423181674 /nfs/dbraw/zinc/18/16/74/1423181674.db2.gz QJHHABNSQFQRDS-GCJKJVERSA-N 0 3 381.476 3.185 20 30 GGEDHN CS(=O)(=O)c1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000155443278 1423365763 /nfs/dbraw/zinc/36/57/63/1423365763.db2.gz XVPKEDKQMMKABA-MRXNPFEDSA-N 0 3 397.481 3.459 20 30 GGEDHN Cc1cn(-c2ccccc2Cl)nc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000155609838 1423444058 /nfs/dbraw/zinc/44/40/58/1423444058.db2.gz QTCUIOOTLHEANB-CYBMUJFWSA-N 0 3 379.807 3.190 20 30 GGEDHN CCCCCNC(=O)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179932202 1429648717 /nfs/dbraw/zinc/64/87/17/1429648717.db2.gz ZXLLSDXQFFJTMY-UHFFFAOYSA-N 0 3 393.535 3.477 20 30 GGEDHN N#Cc1cccc(NCC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000155823193 1423549300 /nfs/dbraw/zinc/54/93/00/1423549300.db2.gz VOPUPSZTNBAKET-UHFFFAOYSA-N 0 3 380.517 3.200 20 30 GGEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN(C)CC2CCOCC2)c1C#N ZINC000155907811 1423590356 /nfs/dbraw/zinc/59/03/56/1423590356.db2.gz ULXNKTQWQKWRTB-UHFFFAOYSA-N 0 3 398.482 3.402 20 30 GGEDHN CN(C)Cc1cccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c1 ZINC000156062874 1423657305 /nfs/dbraw/zinc/65/73/05/1423657305.db2.gz WKIBWQOFSNYYFI-UHFFFAOYSA-N 0 3 399.498 3.130 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(OCC(F)F)nc1 ZINC000156091087 1423667609 /nfs/dbraw/zinc/66/76/09/1423667609.db2.gz JUSOUTYSJZHRLG-LLVKDONJSA-N 0 3 397.740 3.479 20 30 GGEDHN C[C@@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973728 1429670148 /nfs/dbraw/zinc/67/01/48/1429670148.db2.gz FZDFCLSVONXQNO-QVKFZJNVSA-N 0 3 388.471 3.289 20 30 GGEDHN N#Cc1cccc(OCCCN2CCCN(C(=O)Cc3cccc(F)c3)CC2)c1 ZINC000156640044 1423839420 /nfs/dbraw/zinc/83/94/20/1423839420.db2.gz OHBPPAYIRITJRN-UHFFFAOYSA-N 0 3 395.478 3.243 20 30 GGEDHN N#CC(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000156653991 1423841711 /nfs/dbraw/zinc/84/17/11/1423841711.db2.gz SIBYWMIPTVYZMR-ZDUSSCGKSA-N 0 3 393.325 3.422 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000156657208 1423842629 /nfs/dbraw/zinc/84/26/29/1423842629.db2.gz JOYFFPLRVBFUEP-GFCCVEGCSA-N 0 3 378.613 3.459 20 30 GGEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC1CCN(c2ccccn2)CC1 ZINC000157074974 1423918026 /nfs/dbraw/zinc/91/80/26/1423918026.db2.gz DBYOPLGBNCOKQL-UHFFFAOYSA-N 0 3 395.507 3.340 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000157390229 1424000131 /nfs/dbraw/zinc/00/01/31/1424000131.db2.gz JBYHJJDPJQCMEF-UHFFFAOYSA-N 0 3 390.487 3.025 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000157605254 1424047518 /nfs/dbraw/zinc/04/75/18/1424047518.db2.gz VLGLJSUISSEDTI-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CC(C)Oc1ccc(NC(=O)N(CCN(C)C)Cc2ccccn2)cc1C#N ZINC000157785403 1424087897 /nfs/dbraw/zinc/08/78/97/1424087897.db2.gz BJHYURRFVKQRRB-UHFFFAOYSA-N 0 3 381.480 3.336 20 30 GGEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000180041722 1429710103 /nfs/dbraw/zinc/71/01/03/1429710103.db2.gz GXDSKFVPOBRRHJ-NRFANRHFSA-N 0 3 383.536 3.145 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(NC(=O)C4CC4)nc3)CC2)cc1 ZINC000180044818 1429711511 /nfs/dbraw/zinc/71/15/11/1429711511.db2.gz HBBRVHUWGLIEKS-UHFFFAOYSA-N 0 3 375.476 3.378 20 30 GGEDHN Cn1cc(CNCc2cccc(Cn3ccnc3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180048624 1429712998 /nfs/dbraw/zinc/71/29/98/1429712998.db2.gz KDFVPFIUVQVCLB-UHFFFAOYSA-N 0 3 382.471 3.493 20 30 GGEDHN CC(C)CCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000158744439 1424332330 /nfs/dbraw/zinc/33/23/30/1424332330.db2.gz MHTGKZXPBSYOSG-GFCCVEGCSA-N 0 3 377.807 3.078 20 30 GGEDHN N#Cc1ccc(F)cc1CN1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000159063114 1424408078 /nfs/dbraw/zinc/40/80/78/1424408078.db2.gz JBCDYAVLRGDNQD-IBGZPJMESA-N 0 3 393.510 3.127 20 30 GGEDHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159687924 1424524314 /nfs/dbraw/zinc/52/43/14/1424524314.db2.gz ZCGNPJBDVBBKQB-UHFFFAOYSA-N 0 3 391.519 3.011 20 30 GGEDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000160076670 1424570712 /nfs/dbraw/zinc/57/07/12/1424570712.db2.gz APHXUTIWZSQAFH-SFHVURJKSA-N 0 3 391.519 3.058 20 30 GGEDHN Cn1cc(CNCc2ccc(CN3CCCC3=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180096097 1429736051 /nfs/dbraw/zinc/73/60/51/1429736051.db2.gz RKHFKPALRXFGDN-UHFFFAOYSA-N 0 3 399.498 3.371 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000160913186 1424644073 /nfs/dbraw/zinc/64/40/73/1424644073.db2.gz ALVJCZXMHGRRSV-HDICACEKSA-N 0 3 399.535 3.063 20 30 GGEDHN C=CCOc1ccc(-c2nn(CN3CC[C@@H](N4CC=CC4)C3)c(=S)o2)cc1 ZINC000161338161 1424678165 /nfs/dbraw/zinc/67/81/65/1424678165.db2.gz KUMFDKSTGQUXMX-QGZVFWFLSA-N 0 3 384.505 3.341 20 30 GGEDHN N#CC(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1nc2cc(Cl)ccc2s1 ZINC000161407477 1424685724 /nfs/dbraw/zinc/68/57/24/1424685724.db2.gz GYHRFXOGLKAIKV-GFCCVEGCSA-N 0 3 396.815 3.079 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000162459099 1424855207 /nfs/dbraw/zinc/85/52/07/1424855207.db2.gz SZDKWEVEKMVPAV-AWEZNQCLSA-N 0 3 382.420 3.016 20 30 GGEDHN CC(C)CN(CCN(C)C)C(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000162782356 1424890229 /nfs/dbraw/zinc/89/02/29/1424890229.db2.gz XTTBNAFMAZJDAU-MRXNPFEDSA-N 0 3 390.553 3.066 20 30 GGEDHN C#CCOc1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000163853955 1425051153 /nfs/dbraw/zinc/05/11/53/1425051153.db2.gz CBHLSSSKLPLGIB-UHFFFAOYSA-N 0 3 378.472 3.155 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000164073810 1425074307 /nfs/dbraw/zinc/07/43/07/1425074307.db2.gz KISOQSTZKHIABL-BEFAXECRSA-N 0 3 382.439 3.370 20 30 GGEDHN C=CCc1cc(CN2CCCN(c3nc(CC)ns3)CC2)c(O)c(OC)c1 ZINC000164432721 1425111678 /nfs/dbraw/zinc/11/16/78/1425111678.db2.gz DUPWSGROQHZMNN-UHFFFAOYSA-N 0 3 388.537 3.256 20 30 GGEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000170652715 1425278457 /nfs/dbraw/zinc/27/84/57/1425278457.db2.gz RHANHOFZDYNNSM-SFHVURJKSA-N 0 3 386.496 3.218 20 30 GGEDHN N#CC(C(=O)COc1ccccc1OCC(F)(F)F)C(=O)Nc1ccccc1 ZINC000171036051 1425449422 /nfs/dbraw/zinc/44/94/22/1425449422.db2.gz RIIGAJDBEJTMOM-AWEZNQCLSA-N 0 3 392.333 3.354 20 30 GGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)C1CCCC1 ZINC000171105701 1425485852 /nfs/dbraw/zinc/48/58/52/1425485852.db2.gz GBVKLQRJZYPNDK-BXUZGUMPSA-N 0 3 393.846 3.211 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnc2onc(CC)c2c1 ZINC000171266279 1425583319 /nfs/dbraw/zinc/58/33/19/1425583319.db2.gz ICGJTPYQUMTOKR-CQSZACIVSA-N 0 3 378.388 3.145 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2scnc2c1)C(C)C ZINC000171270131 1425586231 /nfs/dbraw/zinc/58/62/31/1425586231.db2.gz DOTIPGBINJAJQW-KRWDZBQOSA-N 0 3 386.521 3.050 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000171317161 1425613989 /nfs/dbraw/zinc/61/39/89/1425613989.db2.gz GDZZISULLIXCDJ-UHFFFAOYSA-N 0 3 380.496 3.241 20 30 GGEDHN N#CC(C(=O)CSC[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000171366178 1425643691 /nfs/dbraw/zinc/64/36/91/1425643691.db2.gz OXTTXHVBWGJATL-OLZOCXBDSA-N 0 3 384.860 3.429 20 30 GGEDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)c1 ZINC000171394877 1425659804 /nfs/dbraw/zinc/65/98/04/1425659804.db2.gz YHWTXLFRQAHNTH-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)n1cnc2ccccc21 ZINC000171445600 1425682240 /nfs/dbraw/zinc/68/22/40/1425682240.db2.gz MKZAAGOZAGGWJO-QGZVFWFLSA-N 0 3 375.476 3.059 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccco2)s1 ZINC000171450883 1425684993 /nfs/dbraw/zinc/68/49/93/1425684993.db2.gz ICTMYXVXJWWZMB-UHFFFAOYSA-N 0 3 380.473 3.479 20 30 GGEDHN C=CCN1CCC(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 ZINC000171566261 1425738955 /nfs/dbraw/zinc/73/89/55/1425738955.db2.gz BPPQMXISEPSAQA-UHFFFAOYSA-N 0 3 391.924 3.051 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000171696969 1425792330 /nfs/dbraw/zinc/79/23/30/1425792330.db2.gz HQBNKOGZUYXGGQ-INIZCTEOSA-N 0 3 375.513 3.495 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)CC1 ZINC000171714959 1425801068 /nfs/dbraw/zinc/80/10/68/1425801068.db2.gz HNMAPWRDBZGTCF-HXUWFJFHSA-N 0 3 399.535 3.115 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nc(C)n(-c3c(Cl)cccc3Cl)n2)CC1 ZINC000171715010 1425801106 /nfs/dbraw/zinc/80/11/06/1425801106.db2.gz DQWFGPSTADYXLO-UHFFFAOYSA-N 0 3 394.306 3.263 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)CC1 ZINC000171715019 1425801198 /nfs/dbraw/zinc/80/11/98/1425801198.db2.gz TWZSTLKSOCVTHR-UHFFFAOYSA-N 0 3 395.425 3.212 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)CC1 ZINC000171716304 1425801212 /nfs/dbraw/zinc/80/12/12/1425801212.db2.gz CJQWHIILEHRQMS-UHFFFAOYSA-N 0 3 385.899 3.178 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3cccnc3)c(OCC)c2)CC1 ZINC000171719419 1425802328 /nfs/dbraw/zinc/80/23/28/1425802328.db2.gz FRUNFWSIRNAOKR-UHFFFAOYSA-N 0 3 395.503 3.440 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)CC1 ZINC000171720460 1425802787 /nfs/dbraw/zinc/80/27/87/1425802787.db2.gz QTNHIYPAEBKKCY-UHFFFAOYSA-N 0 3 384.524 3.265 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3C)CC1 ZINC000171719969 1425802854 /nfs/dbraw/zinc/80/28/54/1425802854.db2.gz FTOMOURCTSMVOT-UHFFFAOYSA-N 0 3 395.532 3.385 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000171722701 1425803381 /nfs/dbraw/zinc/80/33/81/1425803381.db2.gz SOAOYSNZGQUKFY-UHFFFAOYSA-N 0 3 393.487 3.328 20 30 GGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000171724306 1425804041 /nfs/dbraw/zinc/80/40/41/1425804041.db2.gz QXUBSTQYEUDHIS-UHFFFAOYSA-N 0 3 391.943 3.338 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)CC1 ZINC000171727668 1425804418 /nfs/dbraw/zinc/80/44/18/1425804418.db2.gz GOBQJZAXWBMYPQ-KXBFYZLASA-N 0 3 391.943 3.251 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)CC1 ZINC000171727673 1425804705 /nfs/dbraw/zinc/80/47/05/1425804705.db2.gz GOBQJZAXWBMYPQ-DNVCBOLYSA-N 0 3 391.943 3.251 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)CCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000171738422 1425807645 /nfs/dbraw/zinc/80/76/45/1425807645.db2.gz IZJQQRSDBKXXCQ-UHFFFAOYSA-N 0 3 381.524 3.301 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(OC(F)F)c(OCC)c2)CC1 ZINC000171738951 1425808027 /nfs/dbraw/zinc/80/80/27/1425808027.db2.gz DVIMYMGSMYUIOV-UHFFFAOYSA-N 0 3 397.466 3.479 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)CC1 ZINC000171741703 1425808545 /nfs/dbraw/zinc/80/85/45/1425808545.db2.gz MTMXHLZZTYEJCR-QGZVFWFLSA-N 0 3 384.524 3.473 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CC1 ZINC000171741067 1425808731 /nfs/dbraw/zinc/80/87/31/1425808731.db2.gz LTNBKZVKKVUHOX-UHFFFAOYSA-N 0 3 384.524 3.014 20 30 GGEDHN N#CCOc1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000171769304 1425816078 /nfs/dbraw/zinc/81/60/78/1425816078.db2.gz LFKLPNFWXCYQJJ-UHFFFAOYSA-N 0 3 376.416 3.040 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000172074891 1425890000 /nfs/dbraw/zinc/89/00/00/1425890000.db2.gz HXTJQBSBHWYQLI-QFIPXVFZSA-N 0 3 377.488 3.153 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC000172384066 1426021574 /nfs/dbraw/zinc/02/15/74/1426021574.db2.gz RPQHDJWJYQPPEV-QFIPXVFZSA-N 0 3 390.487 3.091 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(NS(=O)(=O)CCCC)cc2)CC1 ZINC000172581667 1426097041 /nfs/dbraw/zinc/09/70/41/1426097041.db2.gz RCCDZLBYXDRFID-UHFFFAOYSA-N 0 3 394.541 3.000 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000172647521 1426125623 /nfs/dbraw/zinc/12/56/23/1426125623.db2.gz UHAARGWKQXZJJB-UHFFFAOYSA-N 0 3 385.508 3.057 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1SCCc2ccccc21 ZINC000172899525 1426245710 /nfs/dbraw/zinc/24/57/10/1426245710.db2.gz YWCJLGPXFSWKSN-NRFANRHFSA-N 0 3 379.529 3.479 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccccc2CN(C)Cc2ccco2)CC1 ZINC000173197327 1426387148 /nfs/dbraw/zinc/38/71/48/1426387148.db2.gz UDVCIZJNDCUTQT-UHFFFAOYSA-N 0 3 396.535 3.361 20 30 GGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000173223340 1426406561 /nfs/dbraw/zinc/40/65/61/1426406561.db2.gz KMWXPVBEMCJQRT-FQEVSTJZSA-N 0 3 383.517 3.091 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000173276100 1426453891 /nfs/dbraw/zinc/45/38/91/1426453891.db2.gz WBJGLCKCIIYECX-UHFFFAOYSA-N 0 3 389.805 3.064 20 30 GGEDHN CO[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000173681180 1426819623 /nfs/dbraw/zinc/81/96/23/1426819623.db2.gz WVXGZDIQWVFEPG-NRFANRHFSA-N 0 3 398.482 3.158 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000173738373 1426835546 /nfs/dbraw/zinc/83/55/46/1426835546.db2.gz WLSSLHCGFSCGHQ-UHFFFAOYSA-N 0 3 391.475 3.039 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173940489 1426900771 /nfs/dbraw/zinc/90/07/71/1426900771.db2.gz VINGRFMNRVRMRU-CQSZACIVSA-N 0 3 390.509 3.012 20 30 GGEDHN CC(C)c1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1F ZINC000173965339 1426913700 /nfs/dbraw/zinc/91/37/00/1426913700.db2.gz HQIWRMALCKZQDM-HNNXBMFYSA-N 0 3 391.406 3.491 20 30 GGEDHN CCCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173980990 1426924500 /nfs/dbraw/zinc/92/45/00/1426924500.db2.gz JNHWIQUKKBQOGD-AWEZNQCLSA-N 0 3 384.263 3.337 20 30 GGEDHN CCCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173980978 1426924860 /nfs/dbraw/zinc/92/48/60/1426924860.db2.gz JNHWIQUKKBQOGD-CQSZACIVSA-N 0 3 384.263 3.337 20 30 GGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000173981751 1426925322 /nfs/dbraw/zinc/92/53/22/1426925322.db2.gz DCAYHTQNQFSVCI-LLVKDONJSA-N 0 3 394.294 3.225 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)CCc2cccc(F)c2)cc1 ZINC000173995032 1426932436 /nfs/dbraw/zinc/93/24/36/1426932436.db2.gz YMNUBOYECXQFPL-KKSFZXQISA-N 0 3 396.462 3.471 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)CCc2cccc(F)c2)cc1 ZINC000173995016 1426932964 /nfs/dbraw/zinc/93/29/64/1426932964.db2.gz YMNUBOYECXQFPL-IIBYNOLFSA-N 0 3 396.462 3.471 20 30 GGEDHN CC(C)CC(=O)Nc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1F ZINC000174011391 1426942076 /nfs/dbraw/zinc/94/20/76/1426942076.db2.gz OPZVNGZWSMUFBB-CQSZACIVSA-N 0 3 382.395 3.166 20 30 GGEDHN Cc1ccc(C#N)cc1S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174039621 1426963460 /nfs/dbraw/zinc/96/34/60/1426963460.db2.gz LGGADZRNEQMJBT-FQEVSTJZSA-N 0 3 383.517 3.009 20 30 GGEDHN COc1ccc(CNCc2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N ZINC000174257287 1427072942 /nfs/dbraw/zinc/07/29/42/1427072942.db2.gz HDIQXKABLDBRKS-QZTJIDSGSA-N 0 3 379.504 3.466 20 30 GGEDHN N#Cc1ccc(CNCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000174264452 1427075108 /nfs/dbraw/zinc/07/51/08/1427075108.db2.gz KVLAIHUPSOMGDZ-UHFFFAOYSA-N 0 3 392.425 3.472 20 30 GGEDHN COc1ccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N ZINC000174277701 1427080760 /nfs/dbraw/zinc/08/07/60/1427080760.db2.gz GYJDLFRKHAJNPE-HNNXBMFYSA-N 0 3 379.460 3.075 20 30 GGEDHN COc1ccc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N ZINC000174277714 1427080929 /nfs/dbraw/zinc/08/09/29/1427080929.db2.gz GYJDLFRKHAJNPE-OAHLLOKOSA-N 0 3 379.460 3.075 20 30 GGEDHN COc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1C#N ZINC000174306359 1427094264 /nfs/dbraw/zinc/09/42/64/1427094264.db2.gz YETJDVFEZYYKPT-IAGOWNOFSA-N 0 3 393.487 3.106 20 30 GGEDHN N#Cc1ccc(CNC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)o1 ZINC000174327543 1427103748 /nfs/dbraw/zinc/10/37/48/1427103748.db2.gz RZTBETZHGWXXRR-GOSISDBHSA-N 0 3 379.382 3.333 20 30 GGEDHN Cc1nnc(-c2cccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2)o1 ZINC000174350506 1427115221 /nfs/dbraw/zinc/11/52/21/1427115221.db2.gz VREABWJWKDSVMY-UHFFFAOYSA-N 0 3 389.459 3.121 20 30 GGEDHN Cc1nnc(-c2cccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2)o1 ZINC000174645503 1427284948 /nfs/dbraw/zinc/28/49/48/1427284948.db2.gz RKXUIZOSBHIANZ-UHFFFAOYSA-N 0 3 389.459 3.121 20 30 GGEDHN CC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1C[C@@H](C)O ZINC000174733566 1427338225 /nfs/dbraw/zinc/33/82/25/1427338225.db2.gz YFZTXUYGIRPKEJ-OCCSQVGLSA-N 0 3 376.863 3.180 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000174777168 1427361564 /nfs/dbraw/zinc/36/15/64/1427361564.db2.gz BSBHFPSXAKUUQQ-KRWDZBQOSA-N 0 3 390.959 3.379 20 30 GGEDHN CC(C)(CNC(=O)NCc1cc(C#N)ccc1F)N1CCc2ccccc2C1 ZINC000174798143 1427374877 /nfs/dbraw/zinc/37/48/77/1427374877.db2.gz LCYTXMHGDZSQIE-UHFFFAOYSA-N 0 3 380.467 3.333 20 30 GGEDHN Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)c1C#N ZINC000174802151 1427377048 /nfs/dbraw/zinc/37/70/48/1427377048.db2.gz NFUZTBFGOADMSG-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN CN(CC(=O)N(C)C1(C#N)CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174827972 1427390323 /nfs/dbraw/zinc/39/03/23/1427390323.db2.gz FMQSHSSUKHQCJK-UHFFFAOYSA-N 0 3 392.544 3.003 20 30 GGEDHN COCCN1CCC(NC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000175044572 1427516936 /nfs/dbraw/zinc/51/69/36/1427516936.db2.gz SLCGASXQFWEQMV-UHFFFAOYSA-N 0 3 377.488 3.319 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000175511312 1427797563 /nfs/dbraw/zinc/79/75/63/1427797563.db2.gz ICGZJPVFNVMNQN-JOCHJYFZSA-N 0 3 385.552 3.460 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000175511116 1427797581 /nfs/dbraw/zinc/79/75/81/1427797581.db2.gz UWNIFOOZLPZOJG-MSOLQXFVSA-N 0 3 377.554 3.386 20 30 GGEDHN CC(C)[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccnc1 ZINC000175908394 1427965308 /nfs/dbraw/zinc/96/53/08/1427965308.db2.gz YFDCSCKMXZNECW-JOCHJYFZSA-N 0 3 393.535 3.466 20 30 GGEDHN N#CC(C(=O)CCOC1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000175945308 1427988011 /nfs/dbraw/zinc/98/80/11/1427988011.db2.gz WJDJZEYNVXYICN-HNNXBMFYSA-N 0 3 385.247 3.226 20 30 GGEDHN N#CC(C(=O)CCOC1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175944751 1427988086 /nfs/dbraw/zinc/98/80/86/1427988086.db2.gz NVZHOWSMDIRXNL-CYBMUJFWSA-N 0 3 385.247 3.226 20 30 GGEDHN N#CC(C(=O)CCOC1CCOCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000175945322 1427988311 /nfs/dbraw/zinc/98/83/11/1427988311.db2.gz WJDJZEYNVXYICN-OAHLLOKOSA-N 0 3 385.247 3.226 20 30 GGEDHN C#CCOc1ccc(F)cc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC000176017649 1428029778 /nfs/dbraw/zinc/02/97/78/1428029778.db2.gz SCNHCGUQGLSZBQ-UHFFFAOYSA-N 0 3 375.469 3.495 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)cc1 ZINC000176021878 1428031912 /nfs/dbraw/zinc/03/19/12/1428031912.db2.gz NOJUEZLJDVRFFR-IBGZPJMESA-N 0 3 384.501 3.456 20 30 GGEDHN CC(C)C1CCC(N2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000176027026 1428033793 /nfs/dbraw/zinc/03/37/93/1428033793.db2.gz NJJCSVRFNGDXPY-BBHUYCHWSA-N 0 3 394.563 3.496 20 30 GGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176063326 1428061895 /nfs/dbraw/zinc/06/18/95/1428061895.db2.gz XDQYJXQBHAGQIS-UHFFFAOYSA-N 0 3 395.503 3.219 20 30 GGEDHN Cn1cc(CN2CCC(CN3CCCCC3=O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180177422 1429783257 /nfs/dbraw/zinc/78/32/57/1429783257.db2.gz SARKPIUILQGDPO-UHFFFAOYSA-N 0 3 391.519 3.183 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@H](C)O1 ZINC000180229571 1429808628 /nfs/dbraw/zinc/80/86/28/1429808628.db2.gz JQMKQGMITIJGJO-HDICACEKSA-N 0 3 381.520 3.203 20 30 GGEDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)C[C@H](C)O1 ZINC000180229585 1429808686 /nfs/dbraw/zinc/80/86/86/1429808686.db2.gz JQMKQGMITIJGJO-ROUUACIJSA-N 0 3 381.520 3.203 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3CN3CCNC3=O)CC2)cc1 ZINC000180321433 1429835879 /nfs/dbraw/zinc/83/58/79/1429835879.db2.gz LGTZLXQGITWOMG-UHFFFAOYSA-N 0 3 389.503 3.160 20 30 GGEDHN CCC[C@H]1CN(Cc2cn(CCC#N)nc2-c2ccccc2)CCN1CCOC ZINC000180464934 1429875581 /nfs/dbraw/zinc/87/55/81/1429875581.db2.gz GDUYTTSTRIKDFI-QFIPXVFZSA-N 0 3 395.551 3.396 20 30 GGEDHN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN[C@H](CO)C(C)(C)C)c1C#N ZINC000180619402 1429936528 /nfs/dbraw/zinc/93/65/28/1429936528.db2.gz IWXSTTIOMXNIPR-GOSISDBHSA-N 0 3 386.471 3.040 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716566 1429997305 /nfs/dbraw/zinc/99/73/05/1429997305.db2.gz GRPOKMFFDWFEAZ-RTBURBONSA-N 0 3 379.451 3.135 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716584 1429997667 /nfs/dbraw/zinc/99/76/67/1429997667.db2.gz GRPOKMFFDWFEAZ-RBUKOAKNSA-N 0 3 379.451 3.135 20 30 GGEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1C ZINC000180735261 1430007711 /nfs/dbraw/zinc/00/77/11/1430007711.db2.gz XPSWKEQDAIPGRL-INIZCTEOSA-N 0 3 388.431 3.313 20 30 GGEDHN COc1c(C)cc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1C ZINC000180735243 1430007782 /nfs/dbraw/zinc/00/77/82/1430007782.db2.gz XPSWKEQDAIPGRL-MRXNPFEDSA-N 0 3 388.431 3.313 20 30 GGEDHN CC[C@@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180810992 1430054153 /nfs/dbraw/zinc/05/41/53/1430054153.db2.gz MCOXJXGSQLSVIH-BEFAXECRSA-N 0 3 392.463 3.203 20 30 GGEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000180873578 1430080509 /nfs/dbraw/zinc/08/05/09/1430080509.db2.gz JVCYVRQVHOEUOX-LBNMDVIHSA-N 0 3 391.471 3.443 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000180882999 1430087076 /nfs/dbraw/zinc/08/70/76/1430087076.db2.gz NUPNCTFJLJBUGO-OAHLLOKOSA-N 0 3 390.352 3.353 20 30 GGEDHN C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000180936377 1430124401 /nfs/dbraw/zinc/12/44/01/1430124401.db2.gz GZJHCSJXGYQKTA-QGZVFWFLSA-N 0 3 389.565 3.077 20 30 GGEDHN N#CCOc1ccc(CC(=O)O[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181292878 1430265137 /nfs/dbraw/zinc/26/51/37/1430265137.db2.gz AHYJAQDQVFQDEB-QHCPKHFHSA-N 0 3 390.483 3.438 20 30 GGEDHN C[C@H](NCCC(=O)Nc1sccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181407392 1430290168 /nfs/dbraw/zinc/29/01/68/1430290168.db2.gz UDNDNHVLOXSISJ-AWEZNQCLSA-N 0 3 382.489 3.426 20 30 GGEDHN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CC1 ZINC000181559891 1430320414 /nfs/dbraw/zinc/32/04/14/1430320414.db2.gz WTUYLKILFNDHRQ-LJQANCHMSA-N 0 3 384.455 3.058 20 30 GGEDHN C=C(C)CN(CC)C(=O)CN[C@@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181633346 1430331658 /nfs/dbraw/zinc/33/16/58/1430331658.db2.gz RMLDVDLIYXFFEN-SFHVURJKSA-N 0 3 390.547 3.043 20 30 GGEDHN CC(C)(COc1ncccc1C(F)(F)F)NCC(=O)NC1(C#N)CCCCC1 ZINC000181653329 1430335711 /nfs/dbraw/zinc/33/57/11/1430335711.db2.gz LGGLCCMVHAWSAV-UHFFFAOYSA-N 0 3 398.429 3.190 20 30 GGEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)Nc1cccc(C#N)c1 ZINC000181660881 1430336861 /nfs/dbraw/zinc/33/68/61/1430336861.db2.gz LIJNCYHNMCZSQY-UHFFFAOYSA-N 0 3 392.381 3.358 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1OCC#N ZINC000182073245 1430406303 /nfs/dbraw/zinc/40/63/03/1430406303.db2.gz RDWQGQFJKAICAY-NCUBBLFSSA-N 0 3 393.487 3.247 20 30 GGEDHN CC[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308325 1430446013 /nfs/dbraw/zinc/44/60/13/1430446013.db2.gz CSSZKMITPJXPKU-RTBURBONSA-N 0 3 376.932 3.073 20 30 GGEDHN CN(C)C(=O)COc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182318343 1430447672 /nfs/dbraw/zinc/44/76/72/1430447672.db2.gz ZWFKFYPSHSMCPZ-UHFFFAOYSA-N 0 3 392.503 3.102 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000182516905 1430481921 /nfs/dbraw/zinc/48/19/21/1430481921.db2.gz BQFBCLOTKUZWCG-INIZCTEOSA-N 0 3 399.461 3.289 20 30 GGEDHN C[C@H](NCCC(=O)N(C)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182566580 1430493551 /nfs/dbraw/zinc/49/35/51/1430493551.db2.gz QNJUREPGLHRBDZ-KRWDZBQOSA-N 0 3 378.476 3.352 20 30 GGEDHN CS(=O)(=O)Nc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182712910 1430524611 /nfs/dbraw/zinc/52/46/11/1430524611.db2.gz NUHJBOXYKYVQQM-UHFFFAOYSA-N 0 3 384.505 3.006 20 30 GGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182776143 1430537813 /nfs/dbraw/zinc/53/78/13/1430537813.db2.gz KOBJGSJMDHKZLD-OAHLLOKOSA-N 0 3 398.438 3.299 20 30 GGEDHN Cc1c([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005447 1430590465 /nfs/dbraw/zinc/59/04/65/1430590465.db2.gz AXPNVHWICCZTFB-MGPUTAFESA-N 0 3 394.450 3.282 20 30 GGEDHN CCCCCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC(N)=O ZINC000183044999 1430599350 /nfs/dbraw/zinc/59/93/50/1430599350.db2.gz BAGKXBLEWNCPTM-UHFFFAOYSA-N 0 3 390.553 3.195 20 30 GGEDHN CN(C)C(=O)COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000183047494 1430599745 /nfs/dbraw/zinc/59/97/45/1430599745.db2.gz ZIQHCLKXEFTFLP-UHFFFAOYSA-N 0 3 392.503 3.102 20 30 GGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000183102412 1430613913 /nfs/dbraw/zinc/61/39/13/1430613913.db2.gz XNGGNCZFDGAARS-QGZVFWFLSA-N 0 3 393.487 3.434 20 30 GGEDHN COC[C@@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1CC1 ZINC000183483254 1430723658 /nfs/dbraw/zinc/72/36/58/1430723658.db2.gz FHVXNJBGCBPPCO-HXUWFJFHSA-N 0 3 392.503 3.181 20 30 GGEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183762656 1430788306 /nfs/dbraw/zinc/78/83/06/1430788306.db2.gz YKLYVHHIPLXKST-LJQANCHMSA-N 0 3 380.492 3.303 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183850895 1430804950 /nfs/dbraw/zinc/80/49/50/1430804950.db2.gz KDKPHWLQBWUHBD-OALUTQOASA-N 0 3 385.508 3.105 20 30 GGEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184297199 1430870022 /nfs/dbraw/zinc/87/00/22/1430870022.db2.gz JQYXYJANNLPUSM-SFHVURJKSA-N 0 3 392.503 3.106 20 30 GGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184321580 1430872913 /nfs/dbraw/zinc/87/29/13/1430872913.db2.gz HNSUYOJEJFQHDW-SJORKVTESA-N 0 3 389.569 3.086 20 30 GGEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000184324073 1430873269 /nfs/dbraw/zinc/87/32/69/1430873269.db2.gz NOXDEKDITAALFN-IAGOWNOFSA-N 0 3 389.569 3.228 20 30 GGEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000184399621 1430883177 /nfs/dbraw/zinc/88/31/77/1430883177.db2.gz ZLPQSXMFXXYWMB-GOSISDBHSA-N 0 3 392.503 3.106 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000184599025 1430915013 /nfs/dbraw/zinc/91/50/13/1430915013.db2.gz OWWVBIGIMAHVAK-QGZVFWFLSA-N 0 3 396.491 3.225 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184614009 1430919659 /nfs/dbraw/zinc/91/96/59/1430919659.db2.gz AZJCVCGNRVJUTI-IBGZPJMESA-N 0 3 382.464 3.008 20 30 GGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000184844563 1431001019 /nfs/dbraw/zinc/00/10/19/1431001019.db2.gz DFYRDOXYDSNMMQ-QFIPXVFZSA-N 0 3 379.504 3.404 20 30 GGEDHN N#Cc1ccc(NC(=O)CNC2(c3ccc4c(c3)OCCO4)CCCC2)cc1 ZINC000184879012 1431010435 /nfs/dbraw/zinc/01/04/35/1431010435.db2.gz XXSMLIXTHUOYBA-UHFFFAOYSA-N 0 3 377.444 3.327 20 30 GGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185300654 1431105353 /nfs/dbraw/zinc/10/53/53/1431105353.db2.gz SOWBHFCZULIHIL-QGZVFWFLSA-N 0 3 384.501 3.089 20 30 GGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC(O)(c3ccccc3)CC1)CCC2 ZINC000185492272 1431156892 /nfs/dbraw/zinc/15/68/92/1431156892.db2.gz GSHZRZGVOVPUKR-UHFFFAOYSA-N 0 3 395.528 3.421 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000185592347 1431178589 /nfs/dbraw/zinc/17/85/89/1431178589.db2.gz RVURYXAEVHNTII-OAQYLSRUSA-N 0 3 392.503 3.078 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000185592328 1431178719 /nfs/dbraw/zinc/17/87/19/1431178719.db2.gz RVURYXAEVHNTII-NRFANRHFSA-N 0 3 392.503 3.078 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@H](OC(C)C)c2ccccc2OC)CC1 ZINC000185734764 1431219188 /nfs/dbraw/zinc/21/91/88/1431219188.db2.gz FFUKVNBNKQCNDI-FQEVSTJZSA-N 0 3 375.513 3.111 20 30 GGEDHN C=C(C)[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829265 1431245504 /nfs/dbraw/zinc/24/55/04/1431245504.db2.gz DQMUFRASZWPDAO-QFBILLFUSA-N 0 3 381.467 3.334 20 30 GGEDHN C=C(C)[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829304 1431245851 /nfs/dbraw/zinc/24/58/51/1431245851.db2.gz DQMUFRASZWPDAO-VQIMIIECSA-N 0 3 381.467 3.334 20 30 GGEDHN C=C(C)[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185844931 1431249522 /nfs/dbraw/zinc/24/95/22/1431249522.db2.gz NZRXVMCVTDDVTJ-IBGZPJMESA-N 0 3 394.510 3.297 20 30 GGEDHN CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000186219325 1431355346 /nfs/dbraw/zinc/35/53/46/1431355346.db2.gz LDFNUVXBQRPTSL-LEWJYISDSA-N 0 3 386.540 3.225 20 30 GGEDHN CCN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186319887 1431381199 /nfs/dbraw/zinc/38/11/99/1431381199.db2.gz PGHLEXQYXRJTCX-OAQYLSRUSA-N 0 3 377.488 3.254 20 30 GGEDHN CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186322692 1431382305 /nfs/dbraw/zinc/38/23/05/1431382305.db2.gz MUDBKZULJUGXGF-OAQYLSRUSA-N 0 3 377.488 3.254 20 30 GGEDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ncccc1OCCCC#N ZINC000186449392 1431422525 /nfs/dbraw/zinc/42/25/25/1431422525.db2.gz QDCAEPXDOYFTHI-UHFFFAOYSA-N 0 3 381.480 3.360 20 30 GGEDHN N#CCCn1ccc(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)n1 ZINC000186585735 1431461142 /nfs/dbraw/zinc/46/11/42/1431461142.db2.gz WNTUNERNJVEQPW-UHFFFAOYSA-N 0 3 384.509 3.032 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000186688606 1431492433 /nfs/dbraw/zinc/49/24/33/1431492433.db2.gz XNJGCWHVWXNQHY-UHFFFAOYSA-N 0 3 377.485 3.075 20 30 GGEDHN N#Cc1ccc(C2(C(=O)NCC3(N4CCSCC4)CCCCC3)CC2)cc1 ZINC000186849027 1431539041 /nfs/dbraw/zinc/53/90/41/1431539041.db2.gz QDMKNHFHWBXDRQ-UHFFFAOYSA-N 0 3 383.561 3.458 20 30 GGEDHN C#CCOc1ccccc1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000188066164 1431841685 /nfs/dbraw/zinc/84/16/85/1431841685.db2.gz LPOKKNMRMRXDQC-ROUUACIJSA-N 0 3 385.508 3.052 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@@H](C)O1 ZINC000188176577 1431857106 /nfs/dbraw/zinc/85/71/06/1431857106.db2.gz UNUVTOPZDXXLGY-RTBURBONSA-N 0 3 395.547 3.328 20 30 GGEDHN N#Cc1ccc(CN2CCCN(CCOCC(F)(F)C(F)(F)F)CC2)cc1 ZINC000188563095 1431895484 /nfs/dbraw/zinc/89/54/84/1431895484.db2.gz LLGHGYRZRFVIHI-UHFFFAOYSA-N 0 3 391.384 3.280 20 30 GGEDHN C[C@@H]1CN(CCCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)O1 ZINC000189063351 1432037873 /nfs/dbraw/zinc/03/78/73/1432037873.db2.gz VXPFIHXUSXEKIS-HZPDHXFCSA-N 0 3 382.426 3.063 20 30 GGEDHN Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C)cc3CN(C)C)CC2)o1 ZINC000189383962 1432096841 /nfs/dbraw/zinc/09/68/41/1432096841.db2.gz RSXWQPVQWUAHGO-UHFFFAOYSA-N 0 3 381.480 3.080 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000189394824 1432098447 /nfs/dbraw/zinc/09/84/47/1432098447.db2.gz BKJPZWAARLNUKZ-LJQANCHMSA-N 0 3 385.508 3.057 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000189404893 1432099749 /nfs/dbraw/zinc/09/97/49/1432099749.db2.gz XZAUXCCUYANHJJ-UHFFFAOYSA-N 0 3 385.430 3.376 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)CC1 ZINC000189603073 1432172613 /nfs/dbraw/zinc/17/26/13/1432172613.db2.gz FFXSNZUGHBCRDU-UHFFFAOYSA-N 0 3 391.878 3.496 20 30 GGEDHN C[C@H](C1CC1)n1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000189811519 1432242264 /nfs/dbraw/zinc/24/22/64/1432242264.db2.gz ZCRIFAHLSDIPRE-MRXNPFEDSA-N 0 3 380.496 3.321 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190144491 1432327723 /nfs/dbraw/zinc/32/77/23/1432327723.db2.gz BJFQHCDYDYEVTC-NRFANRHFSA-N 0 3 377.488 3.274 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190222761 1432343820 /nfs/dbraw/zinc/34/38/20/1432343820.db2.gz KDYLRKUBZNUIKH-NRFANRHFSA-N 0 3 377.488 3.274 20 30 GGEDHN CC[NH+](CC)Cc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000190535964 1432399602 /nfs/dbraw/zinc/39/96/02/1432399602.db2.gz MNJBFCAMSULAAO-UHFFFAOYSA-N 0 3 380.492 3.277 20 30 GGEDHN COc1ccc2c(c1)CCC[C@H]2N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603612 1432417471 /nfs/dbraw/zinc/41/74/71/1432417471.db2.gz HGXRUOFXPIBFHX-YADHBBJMSA-N 0 3 375.472 3.335 20 30 GGEDHN C=CCOc1ccccc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000190967756 1432540012 /nfs/dbraw/zinc/54/00/12/1432540012.db2.gz USXBFPFKKABWQQ-HXUWFJFHSA-N 0 3 380.488 3.272 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000191394831 1432651729 /nfs/dbraw/zinc/65/17/29/1432651729.db2.gz HDLZXGQAVCEWGW-NRFANRHFSA-N 0 3 392.503 3.415 20 30 GGEDHN N#Cc1cc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)ccc1F ZINC000191887987 1432747186 /nfs/dbraw/zinc/74/71/86/1432747186.db2.gz IESVGKRHLGGQFS-LJQANCHMSA-N 0 3 382.439 3.110 20 30 GGEDHN C#CCOc1ccccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191939221 1432761319 /nfs/dbraw/zinc/76/13/19/1432761319.db2.gz ZHTAZXSPSCWVSV-HXUWFJFHSA-N 0 3 393.487 3.111 20 30 GGEDHN N#Cc1ccc(SCC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192215552 1432817940 /nfs/dbraw/zinc/81/79/40/1432817940.db2.gz WQKZZGUNNRFVBQ-FQEVSTJZSA-N 0 3 395.528 3.058 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)CCCC)cc2)CC1 ZINC000192390261 1432840433 /nfs/dbraw/zinc/84/04/33/1432840433.db2.gz MAQCHPTZADBZAZ-UHFFFAOYSA-N 0 3 378.538 3.031 20 30 GGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000192554868 1432859301 /nfs/dbraw/zinc/85/93/01/1432859301.db2.gz USBLUWLMUOYSHL-FBBABVLZSA-N 0 3 396.535 3.070 20 30 GGEDHN C[C@@H](O)CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000192813701 1432893899 /nfs/dbraw/zinc/89/38/99/1432893899.db2.gz FRHAKYGQNYPOFH-LEWJYISDSA-N 0 3 377.532 3.273 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000192988286 1432917853 /nfs/dbraw/zinc/91/78/53/1432917853.db2.gz BAOXPCLTVLVRIN-MRXNPFEDSA-N 0 3 389.908 3.012 20 30 GGEDHN C=CCOc1cccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 ZINC000193009273 1432921934 /nfs/dbraw/zinc/92/19/34/1432921934.db2.gz CXBXLGVZISERGF-UHFFFAOYSA-N 0 3 386.517 3.326 20 30 GGEDHN C=CCc1cc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)cc(OC)c1O ZINC000193333129 1432981084 /nfs/dbraw/zinc/98/10/84/1432981084.db2.gz RCUDJHNGYBWNRO-HDICACEKSA-N 0 3 388.508 3.428 20 30 GGEDHN Cc1nc(-c2ncccn2)sc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000193376636 1432987702 /nfs/dbraw/zinc/98/77/02/1432987702.db2.gz SZPWHGPYEDKWNC-CQSZACIVSA-N 0 3 377.429 3.178 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000193395094 1432990388 /nfs/dbraw/zinc/99/03/88/1432990388.db2.gz AZHJRVRQNAJPFI-QGZVFWFLSA-N 0 3 383.835 3.198 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(F)cc2Cl)c1 ZINC000193429246 1432997147 /nfs/dbraw/zinc/99/71/47/1432997147.db2.gz PCUMPMQHLFTOBV-CQSZACIVSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccccc3)o2)cc1 ZINC000193494839 1433008725 /nfs/dbraw/zinc/00/87/25/1433008725.db2.gz CFVRULCHJNRPGU-KRWDZBQOSA-N 0 3 390.399 3.025 20 30 GGEDHN CC(C)c1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000193573589 1433021973 /nfs/dbraw/zinc/02/19/73/1433021973.db2.gz QWGIGPAPYIRVAW-UHFFFAOYSA-N 0 3 392.503 3.211 20 30 GGEDHN CC(C)c1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193573571 1433021996 /nfs/dbraw/zinc/02/19/96/1433021996.db2.gz QLJJUMLXIHUQED-UHFFFAOYSA-N 0 3 392.503 3.211 20 30 GGEDHN CCCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 ZINC000193707392 1433044377 /nfs/dbraw/zinc/04/43/77/1433044377.db2.gz RLKQESWDRCZWLW-HNNXBMFYSA-N 0 3 398.488 3.067 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000193748502 1433051458 /nfs/dbraw/zinc/05/14/58/1433051458.db2.gz AAYJVMVNBINUMS-INIZCTEOSA-N 0 3 388.826 3.098 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000194169464 1433130907 /nfs/dbraw/zinc/13/09/07/1433130907.db2.gz BHOPICPMSVHCIQ-HNNXBMFYSA-N 0 3 386.427 3.132 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc(C)cc1 ZINC000194173297 1433131785 /nfs/dbraw/zinc/13/17/85/1433131785.db2.gz KUZKXQCJYRSNLL-QGZVFWFLSA-N 0 3 393.834 3.499 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc2ncccc2c1 ZINC000194570571 1433199328 /nfs/dbraw/zinc/19/93/28/1433199328.db2.gz VBDNZXGDPUTDIL-UHFFFAOYSA-N 0 3 387.487 3.380 20 30 GGEDHN C=C(C)COc1cc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)ccc1OC ZINC000194936233 1433268142 /nfs/dbraw/zinc/26/81/42/1433268142.db2.gz UQWYADAHBUOXML-QGZVFWFLSA-N 0 3 386.496 3.479 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000194955835 1433271965 /nfs/dbraw/zinc/27/19/65/1433271965.db2.gz IFVLFJLXLMVRHC-UHFFFAOYSA-N 0 3 387.499 3.471 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000195358156 1433322415 /nfs/dbraw/zinc/32/24/15/1433322415.db2.gz JPCIGHQYFJXYEI-ZWKOTPCHSA-N 0 3 388.533 3.500 20 30 GGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@H]1COc2ccccc2O1 ZINC000198384164 1433349624 /nfs/dbraw/zinc/34/96/24/1433349624.db2.gz AEVLGHRLRHCUQJ-AWEZNQCLSA-N 0 3 397.500 3.209 20 30 GGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)C[C@@H]1COc2ccccc2O1 ZINC000198384149 1433349737 /nfs/dbraw/zinc/34/97/37/1433349737.db2.gz AEVLGHRLRHCUQJ-CQSZACIVSA-N 0 3 397.500 3.209 20 30 GGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000237494265 1433406296 /nfs/dbraw/zinc/40/62/96/1433406296.db2.gz BDNKYMXCRDBATH-INIZCTEOSA-N 0 3 383.467 3.367 20 30 GGEDHN C[C@@H](C#N)Oc1ccc(CNCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000237638611 1433413975 /nfs/dbraw/zinc/41/39/75/1433413975.db2.gz DUXQSULJSSYNBT-OALUTQOASA-N 0 3 379.504 3.488 20 30 GGEDHN C[C@H]1CN(c2ccc(CNCc3cccc(OCCCC#N)c3)cn2)CCO1 ZINC000237667148 1433415823 /nfs/dbraw/zinc/41/58/23/1433415823.db2.gz NLWPHHHDGREQHN-SFHVURJKSA-N 0 3 380.492 3.279 20 30 GGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000245448593 1433469539 /nfs/dbraw/zinc/46/95/39/1433469539.db2.gz MZPPXYARLVFXKH-RTBURBONSA-N 0 3 376.504 3.482 20 30 GGEDHN CCOC(=O)CC[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245536737 1433482234 /nfs/dbraw/zinc/48/22/34/1433482234.db2.gz XUVPUDUSESFJDL-QUCCMNQESA-N 0 3 383.492 3.109 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245880021 1433532517 /nfs/dbraw/zinc/53/25/17/1433532517.db2.gz NDXPBDUOUYOIQE-MOPGFXCFSA-N 0 3 379.508 3.010 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245917216 1433541820 /nfs/dbraw/zinc/54/18/20/1433541820.db2.gz LHLJCXWCYJODHG-SOUVJXGZSA-N 0 3 383.275 3.349 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245952753 1433550289 /nfs/dbraw/zinc/55/02/89/1433550289.db2.gz BKIQORNNSKDKHU-QYZOEREBSA-N 0 3 377.271 3.489 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000246069358 1433564360 /nfs/dbraw/zinc/56/43/60/1433564360.db2.gz XPWFLLOWMZWLCN-OEWRPIJISA-N 0 3 397.544 3.134 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246100290 1433568536 /nfs/dbraw/zinc/56/85/36/1433568536.db2.gz JJTPWIXYUYGVPV-BFHYXJOUSA-N 0 3 383.275 3.349 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000246332019 1433595892 /nfs/dbraw/zinc/59/58/92/1433595892.db2.gz LDBXZDKGJAFSEV-YTFSRNRJSA-N 0 3 388.515 3.360 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000246445778 1433614123 /nfs/dbraw/zinc/61/41/23/1433614123.db2.gz IHIUGRBXDMPGDG-JZXOWHBKSA-N 0 3 378.428 3.467 20 30 GGEDHN COc1cc(N[C@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000246768413 1433662545 /nfs/dbraw/zinc/66/25/45/1433662545.db2.gz QJHHABNSQFQRDS-PGRDOPGGSA-N 0 3 381.476 3.185 20 30 GGEDHN C[C@@H](C1CC1)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247206043 1433690983 /nfs/dbraw/zinc/69/09/83/1433690983.db2.gz XNTSHAGKRSNTKH-DOTOQJQBSA-N 0 3 384.524 3.086 20 30 GGEDHN N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000247204658 1433691115 /nfs/dbraw/zinc/69/11/15/1433691115.db2.gz WNAHDAPDZRJFFC-NHCUHLMSSA-N 0 3 395.528 3.233 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000248843924 1433825315 /nfs/dbraw/zinc/82/53/15/1433825315.db2.gz OBIRJKODPOXHSM-LAUBAEHRSA-N 0 3 392.503 3.244 20 30 GGEDHN C#CCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCc2ccccc21 ZINC000249731713 1433850289 /nfs/dbraw/zinc/85/02/89/1433850289.db2.gz UBISQEVQAPNOAK-REWPJTCUSA-N 0 3 378.472 3.007 20 30 GGEDHN Cc1cc(N)nc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000253476682 1433867805 /nfs/dbraw/zinc/86/78/05/1433867805.db2.gz AUORDEWVBGXZCV-CYBMUJFWSA-N 0 3 381.486 3.459 20 30 GGEDHN CC(C)[C@@H](NC(=O)CON=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254941178 1433872551 /nfs/dbraw/zinc/87/25/51/1433872551.db2.gz OBDOLFBUPLRKPO-HSZRJFAPSA-N 0 3 395.503 3.387 20 30 GGEDHN [O-]c1ccc(Br)cc1/C=N\C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000255069651 1433875600 /nfs/dbraw/zinc/87/56/00/1433875600.db2.gz FGTAVAMEHNZQIK-BJSXHXNNSA-N 0 3 381.314 3.342 20 30 GGEDHN Cc1c([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000255337838 1433880785 /nfs/dbraw/zinc/88/07/85/1433880785.db2.gz OGOUNFBROFFSPR-ZIPFOMIPSA-N 0 3 399.882 3.011 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]\CCN(C)S(=O)(=O)c2cccs2)c([O-])c1 ZINC000255464296 1433883010 /nfs/dbraw/zinc/88/30/10/1433883010.db2.gz SWQUMIFTHPOKGV-RGEXLXHISA-N 0 3 395.550 3.040 20 30 GGEDHN Cc1ccccc1[C@H](C)NC(=O)[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000255710746 1433888193 /nfs/dbraw/zinc/88/81/93/1433888193.db2.gz LMPDILUTVULDCQ-OALUTQOASA-N 0 3 395.503 3.448 20 30 GGEDHN CCN(CC)c1ccc(/C=N\CC(=O)Nc2ccc(-n3cccn3)cc2)c(O)c1 ZINC000255864632 1433890355 /nfs/dbraw/zinc/89/03/55/1433890355.db2.gz CXQJRUYJFOZNSX-HAHDFKILSA-N 0 3 391.475 3.482 20 30 GGEDHN Cc1ccc(CNC(=NC[C@@H]2CCCS(=O)(=O)C2)Nc2ccccc2)cc1 ZINC000262246985 1433932136 /nfs/dbraw/zinc/93/21/36/1433932136.db2.gz BKDGFJPRSNXILG-IBGZPJMESA-N 0 3 385.533 3.187 20 30 GGEDHN C[C@@H](NC(=[NH2+])NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1Cl ZINC000262545703 1433943068 /nfs/dbraw/zinc/94/30/68/1433943068.db2.gz RXLGMGPKFNCFRQ-ZCFIWIBFSA-N 0 3 381.189 3.296 20 30 GGEDHN C[C@@H](NC(=[NH2+])NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1Cl ZINC000262545703 1433943071 /nfs/dbraw/zinc/94/30/71/1433943071.db2.gz RXLGMGPKFNCFRQ-ZCFIWIBFSA-N 0 3 381.189 3.296 20 30 GGEDHN C=CC[NH+](CC=C)[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000263679639 1434019681 /nfs/dbraw/zinc/01/96/81/1434019681.db2.gz KPJHXRGQFMQPHS-FQEVSTJZSA-N 0 3 384.524 3.023 20 30 GGEDHN C[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797781 1434035229 /nfs/dbraw/zinc/03/52/29/1434035229.db2.gz ZUDPUZJMYAHLOC-KSZLIROESA-N 0 3 384.524 3.150 20 30 GGEDHN CN(C(=O)CSc1ccc(C#N)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000264081645 1434070144 /nfs/dbraw/zinc/07/01/44/1434070144.db2.gz FWYUMAFTLNPEJQ-UHFFFAOYSA-N 0 3 394.544 3.211 20 30 GGEDHN COc1ccc(C#N)cc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000264284605 1434092289 /nfs/dbraw/zinc/09/22/89/1434092289.db2.gz RVSIUXNLDZKMGM-UHFFFAOYSA-N 0 3 393.491 3.133 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000264360330 1434102188 /nfs/dbraw/zinc/10/21/88/1434102188.db2.gz HJXUXXQHXPFLHM-HDICACEKSA-N 0 3 386.540 3.462 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000264412298 1434109252 /nfs/dbraw/zinc/10/92/52/1434109252.db2.gz OWVULVDSUIFTID-GOSISDBHSA-N 0 3 387.915 3.113 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 ZINC000264414032 1434109511 /nfs/dbraw/zinc/10/95/11/1434109511.db2.gz RRCYJSPBJSJPBL-UHFFFAOYSA-N 0 3 384.524 3.361 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(CSCCC(=O)OC)c2)CC1 ZINC000264500066 1434120810 /nfs/dbraw/zinc/12/08/10/1434120810.db2.gz XEGNABWLRQJZMD-UHFFFAOYSA-N 0 3 391.537 3.255 20 30 GGEDHN CC(C)CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CCN(C)CC1 ZINC000264559747 1434128041 /nfs/dbraw/zinc/12/80/41/1434128041.db2.gz NDYWQRYRLLIYGY-UHFFFAOYSA-N 0 3 398.551 3.292 20 30 GGEDHN COc1cccc([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)N2CCCC2)c1 ZINC000264790797 1434155187 /nfs/dbraw/zinc/15/51/87/1434155187.db2.gz SKKYHPGKUVJXRL-JOCHJYFZSA-N 0 3 393.487 3.093 20 30 GGEDHN C[C@H](Nc1ccc(NC(=O)CN2CCCCCCC2)cc1)C(=O)N(C)CCC#N ZINC000264864762 1434160530 /nfs/dbraw/zinc/16/05/30/1434160530.db2.gz MUUJLFOYCKSZIW-SFHVURJKSA-N 0 3 399.539 3.064 20 30 GGEDHN C#CCOc1ccc(CN[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000264944892 1434166465 /nfs/dbraw/zinc/16/64/65/1434166465.db2.gz IDEJGGWCJMKUTC-KRWDZBQOSA-N 0 3 384.501 3.089 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C[S@](=O)Cc3ccccc3)c2)CC1 ZINC000265241719 1434205713 /nfs/dbraw/zinc/20/57/13/1434205713.db2.gz YHZSOBSTZMWDKS-MUUNZHRXSA-N 0 3 394.540 3.419 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643994 1434252793 /nfs/dbraw/zinc/25/27/93/1434252793.db2.gz SMWQMFWOIXJIER-ROUUACIJSA-N 0 3 389.496 3.017 20 30 GGEDHN CN(CCC#N)c1ccc(CNCc2cc(F)ccc2N2CCOCC2)cc1 ZINC000265867790 1434275130 /nfs/dbraw/zinc/27/51/30/1434275130.db2.gz LQIMYKPZWOZLKU-UHFFFAOYSA-N 0 3 382.483 3.302 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(OC)c(OC)cc2SC)CC1 ZINC000265900797 1434280305 /nfs/dbraw/zinc/28/03/05/1434280305.db2.gz ACEXQXATWMUIBX-UHFFFAOYSA-N 0 3 393.553 3.218 20 30 GGEDHN Cc1nnc(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)o1 ZINC000266797994 1434376400 /nfs/dbraw/zinc/37/64/00/1434376400.db2.gz YCWAVJSDDPHHJU-UHFFFAOYSA-N 0 3 389.459 3.121 20 30 GGEDHN CC(C)OCCN1CCC(NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000266961290 1434393360 /nfs/dbraw/zinc/39/33/60/1434393360.db2.gz CNUNVIAOXOXHNS-UHFFFAOYSA-N 0 3 387.524 3.113 20 30 GGEDHN N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCN(C2CCOCC2)CC1 ZINC000267099130 1434407458 /nfs/dbraw/zinc/40/74/58/1434407458.db2.gz WJNQRRIJYQOURG-UHFFFAOYSA-N 0 3 388.418 3.009 20 30 GGEDHN C[C@H]1CN(CCCCNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000268010547 1434486727 /nfs/dbraw/zinc/48/67/27/1434486727.db2.gz PFOMKCZSXWGLGQ-OALUTQOASA-N 0 3 387.524 3.113 20 30 GGEDHN COCCC1(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCCC1 ZINC000268581682 1434536473 /nfs/dbraw/zinc/53/64/73/1434536473.db2.gz YDJDVQZLSMPUEM-UHFFFAOYSA-N 0 3 386.540 3.228 20 30 GGEDHN CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268593536 1434537832 /nfs/dbraw/zinc/53/78/32/1434537832.db2.gz SNTWIAJBHULPRS-ZRFOIIEFSA-N 0 3 375.472 3.335 20 30 GGEDHN CN(C(=O)/C=C/c1ccc(OCC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268593534 1434537905 /nfs/dbraw/zinc/53/79/05/1434537905.db2.gz SNTWIAJBHULPRS-VZOQVYJPSA-N 0 3 375.472 3.335 20 30 GGEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000268850680 1434564469 /nfs/dbraw/zinc/56/44/69/1434564469.db2.gz QMLXKNQYKLNLJV-IBGZPJMESA-N 0 3 391.515 3.218 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 ZINC000269857454 1434681913 /nfs/dbraw/zinc/68/19/13/1434681913.db2.gz SRIFPOXUCZBOSW-UHFFFAOYSA-N 0 3 385.468 3.289 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(SCCC(=O)OC)c2)CC1 ZINC000270136480 1434706645 /nfs/dbraw/zinc/70/66/45/1434706645.db2.gz KNWCKOLQBJEDQI-UHFFFAOYSA-N 0 3 377.510 3.114 20 30 GGEDHN N#CCc1ccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000270277595 1434718893 /nfs/dbraw/zinc/71/88/93/1434718893.db2.gz TUXLWLLXLRYAKN-UHFFFAOYSA-N 0 3 376.504 3.085 20 30 GGEDHN C#CC[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000270510619 1434740190 /nfs/dbraw/zinc/74/01/90/1434740190.db2.gz RNRVFCSMFLLSFD-QHCPKHFHSA-N 0 3 391.515 3.207 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270951220 1434790522 /nfs/dbraw/zinc/79/05/22/1434790522.db2.gz XMNKKPTZJASPHZ-VQTJNVASSA-N 0 3 386.540 3.225 20 30 GGEDHN COc1ccc(CN(CCC(N)=O)Cc2ccccc2)cc1OCCCC#N ZINC000271025943 1434796867 /nfs/dbraw/zinc/79/68/67/1434796867.db2.gz DMFVYPDJVJPQRM-UHFFFAOYSA-N 0 3 381.476 3.255 20 30 GGEDHN COCCOc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000271190896 1434807210 /nfs/dbraw/zinc/80/72/10/1434807210.db2.gz RZDSEWBQTYEUGC-UHFFFAOYSA-N 0 3 393.487 3.434 20 30 GGEDHN C#CC[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457855 1434826399 /nfs/dbraw/zinc/82/63/99/1434826399.db2.gz HABPLSOUVBGWFK-PGRDOPGGSA-N 0 3 398.528 3.123 20 30 GGEDHN C#CC[C@H](NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000271718028 1434845874 /nfs/dbraw/zinc/84/58/74/1434845874.db2.gz POJBYHRWPBGYBV-NRFANRHFSA-N 0 3 384.501 3.163 20 30 GGEDHN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271955892 1434861583 /nfs/dbraw/zinc/86/15/83/1434861583.db2.gz PZNKYWCPBSWVDH-QGZVFWFLSA-N 0 3 383.467 3.259 20 30 GGEDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271958940 1434862032 /nfs/dbraw/zinc/86/20/32/1434862032.db2.gz QSDPOMAMPHBFQB-OAHLLOKOSA-N 0 3 389.496 3.376 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3cccc(N4CCNC4=O)c3)CC2)cc1 ZINC000272005592 1434865307 /nfs/dbraw/zinc/86/53/07/1434865307.db2.gz LHHZBPBZICLDHU-UHFFFAOYSA-N 0 3 375.476 3.164 20 30 GGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@H]2C1 ZINC000272273451 1434883198 /nfs/dbraw/zinc/88/31/98/1434883198.db2.gz CREMEFRKTKFXON-WMZOPIPTSA-N 0 3 381.505 3.163 20 30 GGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)cc1 ZINC000272363577 1434890609 /nfs/dbraw/zinc/89/06/09/1434890609.db2.gz FSVJRHNYSUTTAU-YLJYHZDGSA-N 0 3 382.508 3.059 20 30 GGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000272363575 1434890625 /nfs/dbraw/zinc/89/06/25/1434890625.db2.gz FSVJRHNYSUTTAU-PXNSSMCTSA-N 0 3 382.508 3.059 20 30 GGEDHN Cc1ccccc1NC(=O)C[C@@H](C)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272496609 1434900504 /nfs/dbraw/zinc/90/05/04/1434900504.db2.gz DAFCKOWILKMLPF-DYESRHJHSA-N 0 3 390.487 3.369 20 30 GGEDHN COCC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccco1 ZINC000272766817 1434929536 /nfs/dbraw/zinc/92/95/36/1434929536.db2.gz MDRRWBAGLWCFBC-IBGZPJMESA-N 0 3 384.480 3.002 20 30 GGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000272785885 1434930930 /nfs/dbraw/zinc/93/09/30/1434930930.db2.gz FQEJYHHZDOSXQR-UHFFFAOYSA-N 0 3 397.435 3.071 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000273017054 1434950616 /nfs/dbraw/zinc/95/06/16/1434950616.db2.gz CXTJTBBEMMJZKT-IRLDBZIGSA-N 0 3 396.491 3.104 20 30 GGEDHN N#Cc1c(NC(=O)CCN[C@H](CO)c2ccc(F)cc2)sc2c1CCCC2 ZINC000273092870 1434959949 /nfs/dbraw/zinc/95/99/49/1434959949.db2.gz JYLMIPMATFKYSO-QGZVFWFLSA-N 0 3 387.480 3.289 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000273097827 1434960471 /nfs/dbraw/zinc/96/04/71/1434960471.db2.gz VAABYDMRWGQXPW-WBVHZDCISA-N 0 3 376.522 3.355 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365783 1434983569 /nfs/dbraw/zinc/98/35/69/1434983569.db2.gz FYIZPSKDGPAOMF-UHFFFAOYSA-N 0 3 385.399 3.201 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273429884 1434988240 /nfs/dbraw/zinc/98/82/40/1434988240.db2.gz UIYJSGJKVBOODZ-VQTJNVASSA-N 0 3 375.488 3.386 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273429878 1434988321 /nfs/dbraw/zinc/98/83/21/1434988321.db2.gz UIYJSGJKVBOODZ-PMACEKPBSA-N 0 3 375.488 3.386 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273621696 1435000346 /nfs/dbraw/zinc/00/03/46/1435000346.db2.gz REVUFASAFFWUHU-UXHICEINSA-N 0 3 375.488 3.338 20 30 GGEDHN N#CCCCOc1cccnc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274885151 1435101050 /nfs/dbraw/zinc/10/10/50/1435101050.db2.gz GNUUUTVDEBGVRE-GOSISDBHSA-N 0 3 379.464 3.160 20 30 GGEDHN CO[C@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247939 1435125634 /nfs/dbraw/zinc/12/56/34/1435125634.db2.gz PUUZOLQZGCIOEB-MOPGFXCFSA-N 0 3 384.480 3.104 20 30 GGEDHN Cc1cc(NC(=O)Nc2ccc(CCN3CCSCC3)cc2)nn1CCC#N ZINC000275802732 1435170930 /nfs/dbraw/zinc/17/09/30/1435170930.db2.gz ILNUSKVEYKMPKM-UHFFFAOYSA-N 0 3 398.536 3.341 20 30 GGEDHN CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC000276796809 1435233195 /nfs/dbraw/zinc/23/31/95/1435233195.db2.gz UVFOTZUANFQYKP-FQEVSTJZSA-N 0 3 382.533 3.361 20 30 GGEDHN N#Cc1cccc(COc2cccc(CN3CC[C@@H](N4CCCC4=O)C3)c2)c1 ZINC000276852097 1435237649 /nfs/dbraw/zinc/23/76/49/1435237649.db2.gz UYYZCVZJJJCIHU-OAQYLSRUSA-N 0 3 375.472 3.334 20 30 GGEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063026 1435258099 /nfs/dbraw/zinc/25/80/99/1435258099.db2.gz DINOXHRFVHPTAS-UXHICEINSA-N 0 3 393.487 3.417 20 30 GGEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC)c(OC)c1 ZINC000277063038 1435258118 /nfs/dbraw/zinc/25/81/18/1435258118.db2.gz DINOXHRFVHPTAS-WOJBJXKFSA-N 0 3 393.487 3.417 20 30 GGEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204590 1435278107 /nfs/dbraw/zinc/27/81/07/1435278107.db2.gz JUNLGZIVWJORNC-VGSWGCGISA-N 0 3 385.471 3.196 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)CC1 ZINC000277422896 1435303780 /nfs/dbraw/zinc/30/37/80/1435303780.db2.gz GQOKMTBBWMPROM-LJQANCHMSA-N 0 3 383.496 3.002 20 30 GGEDHN CC(C)Oc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1C#N ZINC000278830450 1435428492 /nfs/dbraw/zinc/42/84/92/1435428492.db2.gz JREDZSMBAXRSKD-MRXNPFEDSA-N 0 3 386.496 3.062 20 30 GGEDHN CC[C@@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)cc1 ZINC000278884171 1435435209 /nfs/dbraw/zinc/43/52/09/1435435209.db2.gz YAYCYCMEMVCPLT-LJQANCHMSA-N 0 3 387.480 3.478 20 30 GGEDHN N#Cc1ccc(N2CC[C@H](N3CCC(c4ncc5n4CCCC5)CC3)C2=O)cc1 ZINC000278919102 1435439935 /nfs/dbraw/zinc/43/99/35/1435439935.db2.gz RGIUVPLEZRYURR-NRFANRHFSA-N 0 3 389.503 3.076 20 30 GGEDHN N#Cc1ccc(N2CC[C@@H](N3CCC(c4ncc5n4CCCC5)CC3)C2=O)cc1 ZINC000278919107 1435440150 /nfs/dbraw/zinc/44/01/50/1435440150.db2.gz RGIUVPLEZRYURR-OAQYLSRUSA-N 0 3 389.503 3.076 20 30 GGEDHN C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1n1ccnc1 ZINC000279490802 1435505354 /nfs/dbraw/zinc/50/53/54/1435505354.db2.gz XYSHYDDCBGBBKT-PXNSSMCTSA-N 0 3 375.480 3.138 20 30 GGEDHN C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1n1ccnc1 ZINC000279490805 1435505361 /nfs/dbraw/zinc/50/53/61/1435505361.db2.gz XYSHYDDCBGBBKT-XLIONFOSSA-N 0 3 375.480 3.138 20 30 GGEDHN CN(C)CCN(Cc1cccs1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000279517783 1435508798 /nfs/dbraw/zinc/50/87/98/1435508798.db2.gz RDIFBQACZFPVBZ-UHFFFAOYSA-N 0 3 380.473 3.479 20 30 GGEDHN CS(=O)(=O)C1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CCC1 ZINC000279631401 1435521432 /nfs/dbraw/zinc/52/14/32/1435521432.db2.gz BUUHXHPKVQNYAO-UHFFFAOYSA-N 0 3 384.501 3.194 20 30 GGEDHN CO[C@]1(C)CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000280337063 1435638756 /nfs/dbraw/zinc/63/87/56/1435638756.db2.gz ICELURAMGYUOAT-LJQANCHMSA-N 0 3 382.426 3.064 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355862 1435642961 /nfs/dbraw/zinc/64/29/61/1435642961.db2.gz IQGNLQFGSDQXFV-WMZHIEFXSA-N 0 3 386.499 3.364 20 30 GGEDHN C[C@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000280381545 1435649797 /nfs/dbraw/zinc/64/97/97/1435649797.db2.gz MRMZGZAVLVJACA-CVDCTZTESA-N 0 3 386.499 3.364 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(CC2CCC2)[C@@H](C)CO)c1C#N ZINC000280569723 1435681365 /nfs/dbraw/zinc/68/13/65/1435681365.db2.gz RUZHERSVJDYNIZ-HNNXBMFYSA-N 0 3 398.507 3.039 20 30 GGEDHN CN1CCC(N(Cc2ccco2)C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 ZINC000281104541 1435775107 /nfs/dbraw/zinc/77/51/07/1435775107.db2.gz YOBXEEIPHFSCDY-UHFFFAOYSA-N 0 3 389.459 3.074 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281131786 1435781105 /nfs/dbraw/zinc/78/11/05/1435781105.db2.gz XTFJORZUTKJECX-GOSISDBHSA-N 0 3 384.524 3.122 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000281131786 1435781106 /nfs/dbraw/zinc/78/11/06/1435781106.db2.gz XTFJORZUTKJECX-GOSISDBHSA-N 0 3 384.524 3.122 20 30 GGEDHN Cc1oc(C#N)cc1C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000281285195 1435802420 /nfs/dbraw/zinc/80/24/20/1435802420.db2.gz MJUIYTCYEMZQLB-QGZVFWFLSA-N 0 3 375.432 3.356 20 30 GGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000281511294 1435811746 /nfs/dbraw/zinc/81/17/46/1435811746.db2.gz KEGCNBOLZRGDFJ-VQIMIIECSA-N 0 3 381.467 3.019 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000281511278 1435811784 /nfs/dbraw/zinc/81/17/84/1435811784.db2.gz KEGCNBOLZRGDFJ-APWZRJJASA-N 0 3 381.467 3.019 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(CCc2ccccn2)Cc2ccncc2)CC1 ZINC000281586675 1435814711 /nfs/dbraw/zinc/81/47/11/1435814711.db2.gz QACONRSEQDZANG-UHFFFAOYSA-N 0 3 393.535 3.271 20 30 GGEDHN COc1cc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)ccc1C#N ZINC000281657291 1435817393 /nfs/dbraw/zinc/81/73/93/1435817393.db2.gz KLLNQOZYTNBRPS-IRXDYDNUSA-N 0 3 393.487 3.106 20 30 GGEDHN COc1cc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)ccc1C#N ZINC000281717997 1435819384 /nfs/dbraw/zinc/81/93/84/1435819384.db2.gz PBFJOYMBBJHJQU-HNNXBMFYSA-N 0 3 379.460 3.075 20 30 GGEDHN CN(CCCC1(C#N)CCOCC1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000282099199 1435834540 /nfs/dbraw/zinc/83/45/40/1435834540.db2.gz VYHIETSVSPRZKQ-GOSISDBHSA-N 0 3 375.900 3.478 20 30 GGEDHN C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000282321041 1435842943 /nfs/dbraw/zinc/84/29/43/1435842943.db2.gz QGJTXNCYLWNQIW-OAQYLSRUSA-N 0 3 395.551 3.307 20 30 GGEDHN C=CCn1c(COCc2ccccc2)nnc1N1CCN(C2CCCC2)CC1 ZINC000282604742 1435853441 /nfs/dbraw/zinc/85/34/41/1435853441.db2.gz MZODURIUXKDGAZ-UHFFFAOYSA-N 0 3 381.524 3.246 20 30 GGEDHN CN(C)C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000283538886 1435894481 /nfs/dbraw/zinc/89/44/81/1435894481.db2.gz CSVURVIGKYXDJV-IBGZPJMESA-N 0 3 386.883 3.344 20 30 GGEDHN CC(C)Oc1ccc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1Cl ZINC000284281699 1436009517 /nfs/dbraw/zinc/00/95/17/1436009517.db2.gz JVSNQGUIOBGPIM-LTFJSZEESA-N 0 3 377.872 3.304 20 30 GGEDHN C[C@H](NCCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824590279 1450496218 /nfs/dbraw/zinc/49/62/18/1450496218.db2.gz AYRANGDILKTCTI-HOTGVXAUSA-N 0 3 375.480 3.130 20 30 GGEDHN C[C@H](NCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824590279 1450496225 /nfs/dbraw/zinc/49/62/25/1450496225.db2.gz AYRANGDILKTCTI-HOTGVXAUSA-N 0 3 375.480 3.130 20 30 GGEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164766482 721236419 /nfs/dbraw/zinc/23/64/19/721236419.db2.gz UJSVTHILTHLZCN-LEWJYISDSA-N 0 3 393.611 3.002 20 30 GGEDHN Cn1cc(CN2CC[C@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164766495 721236569 /nfs/dbraw/zinc/23/65/69/721236569.db2.gz UJSVTHILTHLZCN-SFTDATJTSA-N 0 3 393.611 3.002 20 30 GGEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@H]3C2)cn1 ZINC001164766486 721236667 /nfs/dbraw/zinc/23/66/67/721236667.db2.gz UJSVTHILTHLZCN-NHCUHLMSSA-N 0 3 393.611 3.002 20 30 GGEDHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C#C[Si](C)(C)C)ccn4)C[C@@H]3C2)cn1 ZINC001164766490 721236847 /nfs/dbraw/zinc/23/68/47/721236847.db2.gz UJSVTHILTHLZCN-RTWAWAEBSA-N 0 3 393.611 3.002 20 30 GGEDHN Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900310 721513325 /nfs/dbraw/zinc/51/33/25/721513325.db2.gz QALVKJVFLNHBIY-RDJZCZTQSA-N 0 3 386.858 3.396 20 30 GGEDHN N#Cc1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973858 722111019 /nfs/dbraw/zinc/11/10/19/722111019.db2.gz HNLFECKAVAJTMM-GGAORHGYSA-N 0 3 399.498 3.229 20 30 GGEDHN N#Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc12 ZINC001164984993 722139598 /nfs/dbraw/zinc/13/95/98/722139598.db2.gz YRYKVFBCNKSDLT-WMZHIEFXSA-N 0 3 399.498 3.229 20 30 GGEDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1C#N ZINC001164971108 722155304 /nfs/dbraw/zinc/15/53/04/722155304.db2.gz AQTVUQRVBQOHEE-PXNSSMCTSA-N 0 3 397.910 3.037 20 30 GGEDHN C=CC[C@H]1[N@H+]([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329693 947425134 /nfs/dbraw/zinc/42/51/34/947425134.db2.gz NMBYTUAYLVEXCY-RTBURBONSA-N 0 3 394.523 3.429 20 30 GGEDHN C=CC[C@H]1[N@@H+]([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329693 947425139 /nfs/dbraw/zinc/42/51/39/947425139.db2.gz NMBYTUAYLVEXCY-RTBURBONSA-N 0 3 394.523 3.429 20 30 GGEDHN C=CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001573330602 947437469 /nfs/dbraw/zinc/43/74/69/947437469.db2.gz ZNWSGXVTLYTLCJ-CHWSQXEVSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001573330602 947437476 /nfs/dbraw/zinc/43/74/76/947437476.db2.gz ZNWSGXVTLYTLCJ-CHWSQXEVSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001573330602 947437484 /nfs/dbraw/zinc/43/74/84/947437484.db2.gz ZNWSGXVTLYTLCJ-CHWSQXEVSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001573330602 947437488 /nfs/dbraw/zinc/43/74/88/947437488.db2.gz ZNWSGXVTLYTLCJ-CHWSQXEVSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001573330606 947438644 /nfs/dbraw/zinc/43/86/44/947438644.db2.gz ZNWSGXVTLYTLCJ-QWHCGFSZSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@H](C)C2 ZINC001573330606 947438648 /nfs/dbraw/zinc/43/86/48/947438648.db2.gz ZNWSGXVTLYTLCJ-QWHCGFSZSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001573330606 947438650 /nfs/dbraw/zinc/43/86/50/947438650.db2.gz ZNWSGXVTLYTLCJ-QWHCGFSZSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@H](C)C2 ZINC001573330606 947438654 /nfs/dbraw/zinc/43/86/54/947438654.db2.gz ZNWSGXVTLYTLCJ-QWHCGFSZSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[N@@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341040 947523967 /nfs/dbraw/zinc/52/39/67/947523967.db2.gz GCMHKWGDZHBQGH-UHFFFAOYSA-N 0 3 394.454 3.331 20 30 GGEDHN C=CC[N@H+](CCC(=O)Nc1ccc(C)c(F)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC001573341040 947523978 /nfs/dbraw/zinc/52/39/78/947523978.db2.gz GCMHKWGDZHBQGH-UHFFFAOYSA-N 0 3 394.454 3.331 20 30 GGEDHN CC[C@](C)(C(=O)[O-])[N@@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778481 981777689 /nfs/dbraw/zinc/77/76/89/981777689.db2.gz SSEZJERNWVXSFW-VBKZILBWSA-N 0 3 385.489 3.438 20 30 GGEDHN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778481 981777697 /nfs/dbraw/zinc/77/76/97/981777697.db2.gz SSEZJERNWVXSFW-VBKZILBWSA-N 0 3 385.489 3.438 20 30 GGEDHN C#CCOc1ccc(Br)cc1CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000791003142 1126110392 /nfs/dbraw/zinc/11/03/92/1126110392.db2.gz UFBDQPQTAJACJV-GOSISDBHSA-N 0 3 392.268 3.293 20 30 GGEDHN COc1ccccc1C[C@@](C)(CO)NCc1ccc(C#N)cc1OC(F)F ZINC001648162335 1126250298 /nfs/dbraw/zinc/25/02/98/1126250298.db2.gz VXDZPOBRHBRWDC-FQEVSTJZSA-N 0 3 376.403 3.252 20 30 GGEDHN CCN1CCN([C@@H](C)CNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000071954184 212057860 /nfs/dbraw/zinc/05/78/60/212057860.db2.gz GVCZRWKRGDTXTA-KRWDZBQOSA-N 0 3 376.508 3.106 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccco1 ZINC000022748091 519228522 /nfs/dbraw/zinc/22/85/22/519228522.db2.gz AHHAVVNOZPJHHP-GFCCVEGCSA-N 0 3 385.474 3.458 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccco1 ZINC000022748087 519228622 /nfs/dbraw/zinc/22/86/22/519228622.db2.gz AHHAVVNOZPJHHP-LBPRGKRZSA-N 0 3 385.474 3.458 20 30 GGEDHN C[C@@H](CCc1ccc(Br)cc1)N[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597964 564196842 /nfs/dbraw/zinc/19/68/42/564196842.db2.gz KMMGXPHWAHCJBB-UGSOOPFHSA-N 0 3 386.293 3.458 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)cccc2I)CC1 ZINC000119840265 564290914 /nfs/dbraw/zinc/29/09/14/564290914.db2.gz ZVFSKZLJMJYLNY-UHFFFAOYSA-N 0 3 398.288 3.370 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410343 564324424 /nfs/dbraw/zinc/32/44/24/564324424.db2.gz XUKRKNINYBKRPS-SUMWQHHRSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532659 564382550 /nfs/dbraw/zinc/38/25/50/564382550.db2.gz UTGROLRBXIWTAO-DYVFJYSZSA-N 0 3 375.266 3.411 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@H]2COc3ccc(Br)cc32)CC1 ZINC000130890657 564695433 /nfs/dbraw/zinc/69/54/33/564695433.db2.gz PLQOMVITJOLEKJ-INIZCTEOSA-N 0 3 379.298 3.082 20 30 GGEDHN CCN(CC)CCN(C(=O)CSCC#N)c1cccc(Br)c1 ZINC000063307110 564716073 /nfs/dbraw/zinc/71/60/73/564716073.db2.gz AYEFMVIKVMARMR-UHFFFAOYSA-N 0 3 384.343 3.381 20 30 GGEDHN CN(Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000068845898 564827588 /nfs/dbraw/zinc/82/75/88/564827588.db2.gz AANUJZYZRWWLHR-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN C=CCNc1ncc(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)s1 ZINC000136231851 564847395 /nfs/dbraw/zinc/84/73/95/564847395.db2.gz GTNNUHDWKLFABS-AWEZNQCLSA-N 0 3 376.551 3.445 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCN(C(C)=O)C2)cc1OCC ZINC000152913829 564977068 /nfs/dbraw/zinc/97/70/68/564977068.db2.gz PQCZICZPMTZAOR-OAHLLOKOSA-N 0 3 397.313 3.123 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000106275219 564981047 /nfs/dbraw/zinc/98/10/47/564981047.db2.gz MSDACZPLJAXEOY-UHFFFAOYSA-N 0 3 386.327 3.140 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000183545374 565078757 /nfs/dbraw/zinc/07/87/57/565078757.db2.gz TZMUQJNQAXUUKA-UHFFFAOYSA-N 0 3 396.304 3.306 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 ZINC000292953422 565143166 /nfs/dbraw/zinc/14/31/66/565143166.db2.gz ASVJDVWDWLBEFM-UHFFFAOYSA-N 0 3 389.297 3.015 20 30 GGEDHN CC(C)N1CCN(C2CCN(c3ccc(C#N)cc3Br)CC2)CC1 ZINC000270466501 565219544 /nfs/dbraw/zinc/21/95/44/565219544.db2.gz FKHHQIDNAASZPH-UHFFFAOYSA-N 0 3 391.357 3.316 20 30 GGEDHN N#C[C@H]1CCC[C@@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185860962 565224690 /nfs/dbraw/zinc/22/46/90/565224690.db2.gz WMPWHBDNNXEXDQ-WMLDXEAASA-N 0 3 378.314 3.458 20 30 GGEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185860998 565225476 /nfs/dbraw/zinc/22/54/76/565225476.db2.gz WMPWHBDNNXEXDQ-RHSMWYFYSA-N 0 3 378.314 3.458 20 30 GGEDHN N#Cc1cc(Br)ccc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000294986898 565238300 /nfs/dbraw/zinc/23/83/00/565238300.db2.gz OFJXMMYIUKWZIS-UHFFFAOYSA-N 0 3 376.298 3.411 20 30 GGEDHN C[C@@H]1CN(CC2CCN(c3ncc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000295431208 565265635 /nfs/dbraw/zinc/26/56/35/565265635.db2.gz FSAMINHXRXQKAA-OKILXGFUSA-N 0 3 393.329 3.041 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3c(Br)cc(C)cc3C2)CC1 ZINC000186769539 565283966 /nfs/dbraw/zinc/28/39/66/565283966.db2.gz UYLXYZZVLYCXCK-UHFFFAOYSA-N 0 3 392.341 3.476 20 30 GGEDHN CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1N(C)C ZINC000273755894 565334238 /nfs/dbraw/zinc/33/42/38/565334238.db2.gz UKQOWHOKBWITDU-FRFSOERESA-N 0 3 378.567 3.448 20 30 GGEDHN CN1CCC[C@]2(CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)C1 ZINC000297140256 565357808 /nfs/dbraw/zinc/35/78/08/565357808.db2.gz SVQQIMFWEHRWDC-KRWDZBQOSA-N 0 3 377.286 3.270 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(Br)c(F)c2)CC1 ZINC000171557877 565437573 /nfs/dbraw/zinc/43/75/73/565437573.db2.gz IKLVJGORFIIFFG-UHFFFAOYSA-N 0 3 384.293 3.428 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000171725499 565446523 /nfs/dbraw/zinc/44/65/23/565446523.db2.gz HNLHGZWLNKZIGU-AWEZNQCLSA-N 0 3 380.330 3.330 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2cccc(Br)c2)CC1 ZINC000171725503 565446565 /nfs/dbraw/zinc/44/65/65/565446565.db2.gz HNLHGZWLNKZIGU-CQSZACIVSA-N 0 3 380.330 3.330 20 30 GGEDHN C=CCN1CCC(NC(=O)COc2ccc(Br)cc2Cl)CC1 ZINC000171727860 565447288 /nfs/dbraw/zinc/44/72/88/565447288.db2.gz WNPZYGMBCJQETL-UHFFFAOYSA-N 0 3 387.705 3.248 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(I)c2)CC1 ZINC000171737947 565448023 /nfs/dbraw/zinc/44/80/23/565448023.db2.gz LIZYJRAGDMVUNY-UHFFFAOYSA-N 0 3 385.249 3.063 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2[nH]nc3ccc(Br)cc32)CC1 ZINC000171811696 565451699 /nfs/dbraw/zinc/45/16/99/565451699.db2.gz HHDVLOYCGMHZSW-UHFFFAOYSA-N 0 3 377.286 3.096 20 30 GGEDHN C=CCN1CCC(NC(=O)NCC2(c3cccc(Br)c3)CC2)CC1 ZINC000172150901 565468154 /nfs/dbraw/zinc/46/81/54/565468154.db2.gz LWAVVOTUGSFXEZ-UHFFFAOYSA-N 0 3 392.341 3.430 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(Br)cc2)CC1 ZINC000172289711 565476079 /nfs/dbraw/zinc/47/60/79/565476079.db2.gz SZEKLMRHABXBET-UHFFFAOYSA-N 0 3 380.330 3.331 20 30 GGEDHN C=CCN1CCC(Nc2ncnc3ccc(I)cc32)CC1 ZINC000172757688 565502358 /nfs/dbraw/zinc/50/23/58/565502358.db2.gz UOUDNKXTZYKUIE-UHFFFAOYSA-N 0 3 394.260 3.297 20 30 GGEDHN O=C(NCCN[C@H](c1ccc(Br)s1)C1CC1)C1N=CC=CC1=O ZINC000190629537 565547258 /nfs/dbraw/zinc/54/72/58/565547258.db2.gz UGVWXBXSYIJELE-DQHOPXMZSA-N 0 3 396.310 3.078 20 30 GGEDHN CC[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000303436439 565570115 /nfs/dbraw/zinc/57/01/15/565570115.db2.gz DPXYGPOFBQSWTP-AWEZNQCLSA-N 0 3 383.945 3.391 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981446 565604560 /nfs/dbraw/zinc/60/45/60/565604560.db2.gz BINSPPWPYOBGAF-DYVFJYSZSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430384 565609827 /nfs/dbraw/zinc/60/98/27/565609827.db2.gz STTQIIPJMQRIDF-QLFBSQMISA-N 0 3 381.929 3.238 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2ccc(Cl)cc2Cl)cc1 ZINC000325841095 565622822 /nfs/dbraw/zinc/62/28/22/565622822.db2.gz XSGZPKLSHWXNHH-UHFFFAOYSA-N 0 3 383.300 3.471 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)CC1 ZINC000174244465 565623951 /nfs/dbraw/zinc/62/39/51/565623951.db2.gz SATZJZPMTZZYCX-UHFFFAOYSA-N 0 3 376.448 3.344 20 30 GGEDHN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000328835155 565642992 /nfs/dbraw/zinc/64/29/92/565642992.db2.gz SGGGONUFGNVZCX-ZFVVBOAOSA-N 0 3 397.313 3.287 20 30 GGEDHN CC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)CC[NH+]2CCCCCC2)s1 ZINC000329235796 565661060 /nfs/dbraw/zinc/66/10/60/565661060.db2.gz NUKLMNFWWWPYDV-UHFFFAOYSA-N 0 3 388.559 3.074 20 30 GGEDHN [O-]C(N[C@@H]1CCc2c1cccc2Br)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329956784 565687431 /nfs/dbraw/zinc/68/74/31/565687431.db2.gz PDXSFTUFCKNUHL-BLLLJJGKSA-N 0 3 389.297 3.399 20 30 GGEDHN O=C(NC[C@@H]1CCc2nccn2C1)N[C@@H]1CCc2c1cccc2Br ZINC000329956784 565687434 /nfs/dbraw/zinc/68/74/34/565687434.db2.gz PDXSFTUFCKNUHL-BLLLJJGKSA-N 0 3 389.297 3.399 20 30 GGEDHN CC(C(=O)N[C@@H]1CCSc2ccc(F)cc21)S(=O)(=O)C1CCOCC1 ZINC000330049311 565690178 /nfs/dbraw/zinc/69/01/78/565690178.db2.gz KQWKGPLYOWDONV-IAQYHMDHSA-N 0 3 387.498 3.301 20 30 GGEDHN CC(C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1Cl)S(=O)(=O)C1CCOCC1 ZINC000330155230 565694384 /nfs/dbraw/zinc/69/43/84/565694384.db2.gz NXVLVCJMLTVICJ-IXPVHAAZSA-N 0 3 389.876 3.274 20 30 GGEDHN CC(C(=O)N[C@H]1CCOc2c(Cl)cccc21)S(=O)(=O)C1CCOCC1 ZINC000330145369 565695077 /nfs/dbraw/zinc/69/50/77/565695077.db2.gz LCXVWQBGHABFIZ-ABAIWWIYSA-N 0 3 387.885 3.102 20 30 GGEDHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CCC(=O)Nc1sccc1C#N ZINC000175406440 565698384 /nfs/dbraw/zinc/69/83/84/565698384.db2.gz AHNKLZCKMHFMGT-YMXBGEKHSA-N 0 3 375.519 3.379 20 30 GGEDHN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000330647946 565716548 /nfs/dbraw/zinc/71/65/48/565716548.db2.gz KAJNVXCNAFRXRC-WBMJQRKESA-N 0 3 384.318 3.123 20 30 GGEDHN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000330647944 565717273 /nfs/dbraw/zinc/71/72/73/565717273.db2.gz KAJNVXCNAFRXRC-LRDDRELGSA-N 0 3 384.318 3.123 20 30 GGEDHN COc1cc(NC(=O)NC[C@]2(N(C)C)CCSC2)ccc1Br ZINC000331280672 565751446 /nfs/dbraw/zinc/75/14/46/565751446.db2.gz IBACEIYUINGTKS-OAHLLOKOSA-N 0 3 388.331 3.221 20 30 GGEDHN COc1cc(NC(=O)NC[C@@]2(N(C)C)CCSC2)ccc1Br ZINC000331280671 565751572 /nfs/dbraw/zinc/75/15/72/565751572.db2.gz IBACEIYUINGTKS-HNNXBMFYSA-N 0 3 388.331 3.221 20 30 GGEDHN O=C(N[C@H](CO)CN1CCCCC1)c1ccc(Cl)c(Br)c1 ZINC000331358967 565756193 /nfs/dbraw/zinc/75/61/93/565756193.db2.gz VWJBOHCPCVPBRS-LBPRGKRZSA-N 0 3 375.694 3.254 20 30 GGEDHN N#Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c(Br)c1 ZINC000411969911 565762973 /nfs/dbraw/zinc/76/29/73/565762973.db2.gz CONMPRAOKMIHED-DLBZAZTESA-N 0 3 384.277 3.022 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000176498059 565777620 /nfs/dbraw/zinc/77/76/20/565777620.db2.gz HGEOYNQNTBVUCX-UHFFFAOYSA-N 0 3 376.448 3.044 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1occc1Br ZINC000176730565 565798479 /nfs/dbraw/zinc/79/84/79/565798479.db2.gz KXDMVXODCLXGKY-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccccc2Br)CC1 ZINC000177239793 565837294 /nfs/dbraw/zinc/83/72/94/565837294.db2.gz DICJWUQGKHUDBQ-CQSZACIVSA-N 0 3 380.330 3.330 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1occc1Br ZINC000177360305 565845428 /nfs/dbraw/zinc/84/54/28/565845428.db2.gz MJZJQWXMQSQHET-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN CC1([N-]C(=S)C(C(=O)c2ccc(Cl)cc2)[n+]2cccc(CO)c2)CC1 ZINC000284549737 565858962 /nfs/dbraw/zinc/85/89/62/565858962.db2.gz VWTCGBNKSDIPFR-UHFFFAOYSA-O 0 3 375.901 3.201 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(I)cc(C)c2C)CC1 ZINC000178115063 565897740 /nfs/dbraw/zinc/89/77/40/565897740.db2.gz LEBSLGHFCPAALK-UHFFFAOYSA-N 0 3 398.288 3.288 20 30 GGEDHN COc1ccc(CNCCn2cc(Br)cn2)cc1OCCCC#N ZINC000285425349 565907312 /nfs/dbraw/zinc/90/73/12/565907312.db2.gz GZLCBZJGNGAEHI-UHFFFAOYSA-N 0 3 393.285 3.127 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 ZINC000178887820 565944129 /nfs/dbraw/zinc/94/41/29/565944129.db2.gz KWZGBDFDRNPRGR-UHFFFAOYSA-N 0 3 389.297 3.015 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cc2cccs2)cc1 ZINC000287109333 565997839 /nfs/dbraw/zinc/99/78/39/565997839.db2.gz JWHUXBNRZVWJFG-OLZOCXBDSA-N 0 3 377.491 3.187 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2ccc(Cl)s2)cc1 ZINC000287157704 566001051 /nfs/dbraw/zinc/00/10/51/566001051.db2.gz MOQUXVVXCJKUFQ-LLVKDONJSA-N 0 3 397.909 3.451 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000179905475 566017422 /nfs/dbraw/zinc/01/74/22/566017422.db2.gz PAFLNUGEQCXYNR-UHFFFAOYSA-N 0 3 398.301 3.238 20 30 GGEDHN [NH3+]CC[C@H](NC(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986444 566023601 /nfs/dbraw/zinc/02/36/01/566023601.db2.gz ANYINABTCCZJKI-WPRPVWTQSA-N 0 3 379.251 3.147 20 30 GGEDHN C[C@@H](C#N)S(=O)(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000416482795 566073964 /nfs/dbraw/zinc/07/39/64/566073964.db2.gz ZVXWEMQIBLGNGL-NYXIWFNCSA-N 0 3 381.929 3.085 20 30 GGEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(Br)c1 ZINC000180881902 566096898 /nfs/dbraw/zinc/09/68/98/566096898.db2.gz OMFDROGVWYOKDO-UPTRSRDDSA-N 0 3 378.270 3.016 20 30 GGEDHN C#CCN(C(=O)C1CCN(C)CC1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000365694997 566114764 /nfs/dbraw/zinc/11/47/64/566114764.db2.gz HBPYTOPMXATUDV-QGZVFWFLSA-N 0 3 391.309 3.076 20 30 GGEDHN COC(=O)c1sc(N(CCN(C)C)Cc2ccc(C#N)cc2)nc1Cl ZINC000181215032 566124814 /nfs/dbraw/zinc/12/48/14/566124814.db2.gz WWYZCYCYBJHQBZ-UHFFFAOYSA-N 0 3 378.885 3.023 20 30 GGEDHN CC(C)c1ccc([C@@H](N)CNS(=O)(=O)c2ccc(C#N)cc2Cl)cc1 ZINC000261748583 566132046 /nfs/dbraw/zinc/13/20/46/566132046.db2.gz VZCQJWZAGWDXHB-KRWDZBQOSA-N 0 3 377.897 3.313 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000181436826 566140852 /nfs/dbraw/zinc/14/08/52/566140852.db2.gz ACLFYCYZRGWFQI-GOSISDBHSA-N 0 3 378.314 3.058 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022910 566178359 /nfs/dbraw/zinc/17/83/59/566178359.db2.gz NQWIIQOKQWCCCF-XJKSGUPXSA-N 0 3 375.266 3.411 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000291234002 566211127 /nfs/dbraw/zinc/21/11/27/566211127.db2.gz MJEBXWOZTCLSLS-SAABIXHNSA-N 0 3 375.310 3.157 20 30 GGEDHN C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000183016613 566235274 /nfs/dbraw/zinc/23/52/74/566235274.db2.gz GYLSXKGYDIHXNJ-KBPBESRZSA-N 0 3 381.929 3.143 20 30 GGEDHN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCC[C@@H]2C1 ZINC000508938115 566251973 /nfs/dbraw/zinc/25/19/73/566251973.db2.gz GVXJSIKKPDRFFV-MRXNPFEDSA-N 0 3 388.313 3.178 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1CCCCN(C)C1 ZINC000599416141 566264509 /nfs/dbraw/zinc/26/45/09/566264509.db2.gz SZBFBGUNFXFRGD-OAHLLOKOSA-N 0 3 377.535 3.092 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3ccc(Br)cc3C2)CC1 ZINC000556453709 566303675 /nfs/dbraw/zinc/30/36/75/566303675.db2.gz ZUTXAQJLIBEFBH-UHFFFAOYSA-N 0 3 378.314 3.167 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c3ccc(Br)cc3nn2C)CC1 ZINC000648773383 566310784 /nfs/dbraw/zinc/31/07/84/566310784.db2.gz GCLVPIBDXHDZEF-UHFFFAOYSA-N 0 3 391.313 3.106 20 30 GGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Cl)c(Br)c1 ZINC000556808351 566334019 /nfs/dbraw/zinc/33/40/19/566334019.db2.gz FNEFHVAHYGWYCG-UHFFFAOYSA-N 0 3 382.693 3.174 20 30 GGEDHN N#Cc1ccccc1OC[C@H](O)CNCCOc1cccc(Cl)c1Cl ZINC000600717958 566359614 /nfs/dbraw/zinc/35/96/14/566359614.db2.gz DKVZCERYCJMHLO-CQSZACIVSA-N 0 3 381.259 3.273 20 30 GGEDHN C=CCC[C@H](O)CN[C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248237 566367376 /nfs/dbraw/zinc/36/73/76/566367376.db2.gz DSVFFHKBSFHNSP-SMDDNHRTSA-N 0 3 382.220 3.418 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2Br)cc1F ZINC000421385596 566370639 /nfs/dbraw/zinc/37/06/39/566370639.db2.gz LPOMICZNLUPKJY-CQSZACIVSA-N 0 3 377.257 3.401 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(Br)cc2)cc1F ZINC000421398706 566371650 /nfs/dbraw/zinc/37/16/50/566371650.db2.gz STFDRXSQJAAFGB-HNNXBMFYSA-N 0 3 377.257 3.401 20 30 GGEDHN Cc1cc(C)c(C(=O)C(C#N)c2ccncn2)cc1I ZINC000483806141 566402806 /nfs/dbraw/zinc/40/28/06/566402806.db2.gz KFBDNZQBTFEVEK-GFCCVEGCSA-N 0 3 377.185 3.188 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000537288828 566435590 /nfs/dbraw/zinc/43/55/90/566435590.db2.gz ARDAMNCHVGGJEU-UHFFFAOYSA-N 0 3 383.323 3.268 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccccc2Br)cc1 ZINC000577503922 566440460 /nfs/dbraw/zinc/44/04/60/566440460.db2.gz WZYDAVKTSKNTMY-UCLAIMLFSA-N 0 3 387.277 3.206 20 30 GGEDHN N#Cc1cc(Br)ccc1CN[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000558116335 566450484 /nfs/dbraw/zinc/45/04/84/566450484.db2.gz FPYJZWGXKDQZPN-MSOLQXFVSA-N 0 3 378.314 3.054 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)c1ccn(CCN(C)C)n1 ZINC000577745219 566461733 /nfs/dbraw/zinc/46/17/33/566461733.db2.gz DCCVFPGAWKVUDO-UHFFFAOYSA-N 0 3 393.285 3.024 20 30 GGEDHN CC(C)N(Cc1ccc(C#N)cc1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000602438158 566472218 /nfs/dbraw/zinc/47/22/18/566472218.db2.gz BJSAVIXDHMUYRA-UHFFFAOYSA-N 0 3 377.897 3.270 20 30 GGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000602528852 566475828 /nfs/dbraw/zinc/47/58/28/566475828.db2.gz LUBJOKRRIKVDKU-CYBMUJFWSA-N 0 3 395.297 3.409 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544255 566478519 /nfs/dbraw/zinc/47/85/19/566478519.db2.gz GREJYLZZAQMSPN-GDBMZVCRSA-N 0 3 389.297 3.445 20 30 GGEDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc(C#N)c2Br)o1 ZINC000448815721 566499477 /nfs/dbraw/zinc/49/94/77/566499477.db2.gz HUOPKMNKZUCTPP-UHFFFAOYSA-N 0 3 390.281 3.426 20 30 GGEDHN N#CCCC[C@H](N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000424065986 566507539 /nfs/dbraw/zinc/50/75/39/566507539.db2.gz MOFKYKUFHSMYQA-AWEZNQCLSA-N 0 3 393.310 3.456 20 30 GGEDHN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@H](N)CCCC#N ZINC000424078831 566509084 /nfs/dbraw/zinc/50/90/84/566509084.db2.gz QIALDDRVWOIPQU-CQSZACIVSA-N 0 3 385.295 3.192 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)NCCCCSc1ccccc1Br ZINC000424135148 566514518 /nfs/dbraw/zinc/51/45/18/566514518.db2.gz IYATUAQLEZXYBD-CQSZACIVSA-N 0 3 384.343 3.459 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424135367 566514703 /nfs/dbraw/zinc/51/47/03/566514703.db2.gz JIDKLFPDMITXQX-WDBKCZKBSA-N 0 3 382.327 3.369 20 30 GGEDHN CCc1c(NC(=O)[C@H](N)CCCC#N)n[nH]c1-c1ccc(Br)cc1 ZINC000424143679 566514913 /nfs/dbraw/zinc/51/49/13/566514913.db2.gz RCVSCVOZONQYQJ-CQSZACIVSA-N 0 3 390.285 3.361 20 30 GGEDHN C=CCn1c(SC[C@@H](O)CN(C)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000578476041 566525825 /nfs/dbraw/zinc/52/58/25/566525825.db2.gz UUFGLZDIOCYTJC-INIZCTEOSA-N 0 3 378.929 3.332 20 30 GGEDHN C=CCn1cc(CN[C@H](C)CCc2ccc(I)cc2)nn1 ZINC000424298029 566526903 /nfs/dbraw/zinc/52/69/03/566526903.db2.gz RULPIMACZVAHAZ-CYBMUJFWSA-N 0 3 396.276 3.180 20 30 GGEDHN Cc1oc(Br)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000424594178 566543575 /nfs/dbraw/zinc/54/35/75/566543575.db2.gz CVWPYJRCTNGQHO-UHFFFAOYSA-N 0 3 390.281 3.426 20 30 GGEDHN CC(C)(NCC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000604124246 566554263 /nfs/dbraw/zinc/55/42/63/566554263.db2.gz ADUHXCFJOPJUBQ-UHFFFAOYSA-N 0 3 386.293 3.462 20 30 GGEDHN C=CCOc1ccc(CNC[C@@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512976884 566570784 /nfs/dbraw/zinc/57/07/84/566570784.db2.gz BWLWDIXJBHFNAG-MRXNPFEDSA-N 0 3 378.822 3.258 20 30 GGEDHN C=CCOc1ccc(CNC[C@H](N2CCOCC2)C(F)(F)F)cc1Cl ZINC000512976883 566571410 /nfs/dbraw/zinc/57/14/10/566571410.db2.gz BWLWDIXJBHFNAG-INIZCTEOSA-N 0 3 378.822 3.258 20 30 GGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449517351 566571477 /nfs/dbraw/zinc/57/14/77/566571477.db2.gz FNJJAYDZMOXGTK-NEPJUHHUSA-N 0 3 378.213 3.492 20 30 GGEDHN COc1ccc(C[C@@H](CO)CNCc2cc(C#N)cs2)cc1Br ZINC000449601360 566581554 /nfs/dbraw/zinc/58/15/54/566581554.db2.gz RGEGIGSHELGYRJ-CQSZACIVSA-N 0 3 395.322 3.332 20 30 GGEDHN COc1ccc(C[C@@H](CO)CNCc2ccc(C#N)s2)cc1Br ZINC000449605114 566583569 /nfs/dbraw/zinc/58/35/69/566583569.db2.gz YWMJVDCZFBDBIR-CYBMUJFWSA-N 0 3 395.322 3.332 20 30 GGEDHN N#Cc1csc(CNC[C@H](CO)Cc2ccc(F)c(Br)c2)c1 ZINC000449678035 566589588 /nfs/dbraw/zinc/58/95/88/566589588.db2.gz DMWREWPCJWBXFA-CYBMUJFWSA-N 0 3 383.286 3.462 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccc(F)c(Br)c2)s1 ZINC000449686489 566593152 /nfs/dbraw/zinc/59/31/52/566593152.db2.gz YSCFWWNSZIQSCQ-GFCCVEGCSA-N 0 3 383.286 3.462 20 30 GGEDHN CN(C)CCN(C)c1ccc(Br)cc1NC(=O)CC(C)(C)C#N ZINC000425097456 566602893 /nfs/dbraw/zinc/60/28/93/566602893.db2.gz HRYGCMNAIDRDAW-UHFFFAOYSA-N 0 3 381.318 3.325 20 30 GGEDHN C=CCCO[C@@H](C)C(=O)Nc1cc(Br)ccc1N(C)CCN(C)C ZINC000425101144 566605523 /nfs/dbraw/zinc/60/55/23/566605523.db2.gz YCWDTVAPMOTGHA-AWEZNQCLSA-N 0 3 398.345 3.367 20 30 GGEDHN C=CC[C@@H](CO)CN[C@H]1CCCOc2ccc(I)cc21 ZINC000540397461 566648494 /nfs/dbraw/zinc/64/84/94/566648494.db2.gz IZXGGRSEHDTVLI-DOMZBBRYSA-N 0 3 387.261 3.279 20 30 GGEDHN C=CC[C@H](CO)CN[C@H]1CCCOc2ccc(I)cc21 ZINC000540397466 566648953 /nfs/dbraw/zinc/64/89/53/566648953.db2.gz IZXGGRSEHDTVLI-WFASDCNBSA-N 0 3 387.261 3.279 20 30 GGEDHN CN(C)CCN(Cc1ccccc1F)c1ncc(Br)cc1C#N ZINC000450376360 566663775 /nfs/dbraw/zinc/66/37/75/566663775.db2.gz GMBVRTZUKMHTRB-UHFFFAOYSA-N 0 3 377.261 3.423 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1)c1ncc(Br)cc1C#N ZINC000450379618 566665063 /nfs/dbraw/zinc/66/50/63/566665063.db2.gz PDBYDUNYALYADE-UHFFFAOYSA-N 0 3 377.261 3.423 20 30 GGEDHN CN(CC1CCN(c2ccncc2)CC1)c1ncc(Br)cc1C#N ZINC000450422662 566670500 /nfs/dbraw/zinc/67/05/00/566670500.db2.gz VUKYWOVMILSNKV-UHFFFAOYSA-N 0 3 386.297 3.464 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3sc(Br)cc3C2)CC1 ZINC000676422391 566693704 /nfs/dbraw/zinc/69/37/04/566693704.db2.gz WWBZSZBHMPBBMR-UHFFFAOYSA-N 0 3 384.343 3.229 20 30 GGEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000580510197 566699356 /nfs/dbraw/zinc/69/93/56/566699356.db2.gz CBPCVWZMOCHTKS-HOCLYGCPSA-N 0 3 390.325 3.264 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487966162 566700002 /nfs/dbraw/zinc/70/00/02/566700002.db2.gz IBGOAPVCTDQKER-UHFFFAOYSA-N 0 3 377.286 3.483 20 30 GGEDHN N#Cc1ccc([C@H](NCCc2c[nH]c3ccc(Br)cc23)C(N)=O)cc1 ZINC000541282628 566710754 /nfs/dbraw/zinc/71/07/54/566710754.db2.gz OYXHMMRKEQKDET-SFHVURJKSA-N 0 3 397.276 3.161 20 30 GGEDHN N#Cc1cccc(OCCN(CCO)Cc2cccc(Br)c2)c1 ZINC000488199146 566714334 /nfs/dbraw/zinc/71/43/34/566714334.db2.gz MUGJZSJFKFTFRM-UHFFFAOYSA-N 0 3 375.266 3.194 20 30 GGEDHN N#Cc1cc(Br)ccc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000580724162 566718553 /nfs/dbraw/zinc/71/85/53/566718553.db2.gz ACRAHMOFBMAIQV-UHFFFAOYSA-N 0 3 376.298 3.269 20 30 GGEDHN CN(C)[C@@H](CNS(=O)(=O)c1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000451052459 566743796 /nfs/dbraw/zinc/74/37/96/566743796.db2.gz WOBPETOTCOZJIC-KRWDZBQOSA-N 0 3 383.945 3.195 20 30 GGEDHN C=CCN1CCC(NC(=O)NC2(Cc3ccccc3Br)CC2)CC1 ZINC000488795998 566747607 /nfs/dbraw/zinc/74/76/07/566747607.db2.gz GNXWIZDTLLYCGK-UHFFFAOYSA-N 0 3 392.341 3.474 20 30 GGEDHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(CC#N)cc2Cl)C1 ZINC000451104146 566758781 /nfs/dbraw/zinc/75/87/81/566758781.db2.gz PNESVXRPUCXHHS-CQSZACIVSA-N 0 3 383.945 3.195 20 30 GGEDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(C#N)c1 ZINC000562055280 566760739 /nfs/dbraw/zinc/76/07/39/566760739.db2.gz SRVQPYPJOWLLQL-RHSMWYFYSA-N 0 3 375.519 3.124 20 30 GGEDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306959 566793467 /nfs/dbraw/zinc/79/34/67/566793467.db2.gz TWPYWGJPUOAZGX-QLFBSQMISA-N 0 3 383.945 3.051 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000609921852 566796096 /nfs/dbraw/zinc/79/60/96/566796096.db2.gz LOLBPHDEFPIPAP-FZMZJTMJSA-N 0 3 389.253 3.246 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000609921853 566796574 /nfs/dbraw/zinc/79/65/74/566796574.db2.gz LOLBPHDEFPIPAP-RISCZKNCSA-N 0 3 389.253 3.246 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CNCc2csc(Br)c2)cc1 ZINC000581843733 566808455 /nfs/dbraw/zinc/80/84/55/566808455.db2.gz DNYZKRLKARMAHE-CQSZACIVSA-N 0 3 381.295 3.106 20 30 GGEDHN COc1cc(C#N)ccc1OCCN[C@@H](CO)c1ccc(Br)cc1 ZINC000542909625 566835699 /nfs/dbraw/zinc/83/56/99/566835699.db2.gz LZYCVPCTCILSPL-INIZCTEOSA-N 0 3 391.265 3.031 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC[C@H](O)CN(C)CCC#N ZINC000562985412 566842041 /nfs/dbraw/zinc/84/20/41/566842041.db2.gz RBMBWHONGJXMLL-IFIJOSMWSA-N 0 3 398.370 3.028 20 30 GGEDHN Cc1cc(CNC[C@@H](O)COc2ccc(CC#N)cc2)ccc1Br ZINC000517733190 566843741 /nfs/dbraw/zinc/84/37/41/566843741.db2.gz XAEMVWWPPLYKRF-QGZVFWFLSA-N 0 3 389.293 3.353 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)CCOc2ccc(Br)cc2)CC1 ZINC000518022795 566861069 /nfs/dbraw/zinc/86/10/69/566861069.db2.gz GVJTZIJVUISWGM-UHFFFAOYSA-N 0 3 396.329 3.120 20 30 GGEDHN N#Cc1ccc(O[C@@H]2CCN(CCOc3cccc(Br)c3)C2)nc1 ZINC000428776844 566876150 /nfs/dbraw/zinc/87/61/50/566876150.db2.gz GECPKPVQDNYYLR-QGZVFWFLSA-N 0 3 388.265 3.248 20 30 GGEDHN N#Cc1ccc(O[C@H]2CCN(CCOc3ccc(Br)cc3)C2)nc1 ZINC000428797572 566879345 /nfs/dbraw/zinc/87/93/45/566879345.db2.gz DNXBHADWOMFNOR-KRWDZBQOSA-N 0 3 388.265 3.248 20 30 GGEDHN C=CCSCCN[C@@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000543430053 566880966 /nfs/dbraw/zinc/88/09/66/566880966.db2.gz ZBOWBHHBWTZUBJ-SFHVURJKSA-N 0 3 381.973 3.087 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(F)cc2Br)cc1 ZINC000470850211 566908971 /nfs/dbraw/zinc/90/89/71/566908971.db2.gz YVEKZNAXQDCLOB-HNNXBMFYSA-N 0 3 386.224 3.459 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386232 566914815 /nfs/dbraw/zinc/91/48/15/566914815.db2.gz GKJHKDKFCLCPBU-CXAGYDPISA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389554 566915341 /nfs/dbraw/zinc/91/53/41/566915341.db2.gz ZKJMUJACIQXXMB-DYVFJYSZSA-N 0 3 375.266 3.411 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429280061 566918483 /nfs/dbraw/zinc/91/84/83/566918483.db2.gz WWZJSUJUEZTRDN-KRWDZBQOSA-N 0 3 378.314 3.424 20 30 GGEDHN CN(CCn1cc(Br)cn1)Cc1cccc(OCCCC#N)c1 ZINC000563839942 566921399 /nfs/dbraw/zinc/92/13/99/566921399.db2.gz CTTVHIOFGNVMLE-UHFFFAOYSA-N 0 3 377.286 3.460 20 30 GGEDHN N#CCN1CCC(N[C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000611519316 566923977 /nfs/dbraw/zinc/92/39/77/566923977.db2.gz SPEKWYWWNCXSPI-QZTJIDSGSA-N 0 3 378.314 3.247 20 30 GGEDHN C[C@@H](N[C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376210 566926958 /nfs/dbraw/zinc/92/69/58/566926958.db2.gz JICIYCHNMIITMW-MLGOLLRUSA-N 0 3 378.314 3.423 20 30 GGEDHN C[C@@](C#N)(NC(=O)CN[C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364205 566927190 /nfs/dbraw/zinc/92/71/90/566927190.db2.gz FUYZLWZBZNOVET-HKUYNNGSSA-N 0 3 390.325 3.471 20 30 GGEDHN C=CCN(C)CCN(CC)Cc1nnc(-c2ccccc2Br)o1 ZINC000429717755 566945710 /nfs/dbraw/zinc/94/57/10/566945710.db2.gz MDXXSIMVNYZUOK-UHFFFAOYSA-N 0 3 379.302 3.439 20 30 GGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1ccc(Br)cc1Cl ZINC000429727514 566946156 /nfs/dbraw/zinc/94/61/56/566946156.db2.gz VCMKFIKKKRPNHC-UHFFFAOYSA-N 0 3 388.737 3.481 20 30 GGEDHN N#Cc1c(Br)cccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000519677623 566958452 /nfs/dbraw/zinc/95/84/52/566958452.db2.gz UCKWPXXVLGXISG-MRXNPFEDSA-N 0 3 386.293 3.499 20 30 GGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338357 566965099 /nfs/dbraw/zinc/96/50/99/566965099.db2.gz AVTVWHIRIZAIIN-AHIWAGSCSA-N 0 3 376.298 3.123 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(Br)ccc2OC(F)F)CC1 ZINC000583935890 566996075 /nfs/dbraw/zinc/99/60/75/566996075.db2.gz JTNRCTWXWARLMN-UHFFFAOYSA-N 0 3 389.240 3.431 20 30 GGEDHN N#CC(C(=O)c1cc(Br)cc(Br)c1)c1ccncn1 ZINC000544817115 566997651 /nfs/dbraw/zinc/99/76/51/566997651.db2.gz KYAAZZWCGQVBLW-LLVKDONJSA-N 0 3 381.027 3.492 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000565392262 567064131 /nfs/dbraw/zinc/06/41/31/567064131.db2.gz DXZBBAROXSQPKT-GUYCJALGSA-N 0 3 377.286 3.101 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@]2(C)CCC(=O)N2)cc1OCC ZINC000453588743 567094026 /nfs/dbraw/zinc/09/40/26/567094026.db2.gz LUJLSBWQUGSANO-SFHVURJKSA-N 0 3 397.313 3.171 20 30 GGEDHN COc1cc(NC(=O)CCNCc2ccc(C#N)s2)c(OC)cc1Cl ZINC000565946513 567113092 /nfs/dbraw/zinc/11/30/92/567113092.db2.gz VPIUOZOFSYZZLF-UHFFFAOYSA-N 0 3 379.869 3.409 20 30 GGEDHN N#Cc1cc(Br)ccc1CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000588198363 567120969 /nfs/dbraw/zinc/12/09/69/567120969.db2.gz GELCHGGDHXVLRC-SFHVURJKSA-N 0 3 378.314 3.007 20 30 GGEDHN N#Cc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)cc1Br ZINC000588311642 567125599 /nfs/dbraw/zinc/12/55/99/567125599.db2.gz WBUSKKDVRMPDOH-UHFFFAOYSA-N 0 3 386.253 3.070 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000474326173 567158910 /nfs/dbraw/zinc/15/89/10/567158910.db2.gz AKQNGHYUTAQIGS-INIZCTEOSA-N 0 3 386.323 3.367 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)CC1 ZINC000636738413 567164586 /nfs/dbraw/zinc/16/45/86/567164586.db2.gz CCINPBPQADDLFA-QGZVFWFLSA-N 0 3 386.323 3.367 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000498362716 567173097 /nfs/dbraw/zinc/17/30/97/567173097.db2.gz HXBICDOUIRDZHM-DZGCQCFKSA-N 0 3 397.313 3.027 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCC[C@H]2C(=O)NC)cc1OC ZINC000498362718 567173376 /nfs/dbraw/zinc/17/33/76/567173376.db2.gz HXBICDOUIRDZHM-UKRRQHHQSA-N 0 3 397.313 3.027 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)cc3c2OCCO3)nc(C)n1 ZINC000659024771 567179408 /nfs/dbraw/zinc/17/94/08/567179408.db2.gz JODXRQSXCHWCOG-CYBMUJFWSA-N 0 3 388.221 3.117 20 30 GGEDHN C=CCN1CCC(NC(=O)NC/C=C/c2ccc(Br)cc2)CC1 ZINC000454535249 567181266 /nfs/dbraw/zinc/18/12/66/567181266.db2.gz FSIUNWOONCTFTF-ONEGZZNKSA-N 0 3 378.314 3.412 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCOc3c(Br)cccc3C2)CC1 ZINC000684261856 567193739 /nfs/dbraw/zinc/19/37/39/567193739.db2.gz GDOLVJIYTUIWLN-UHFFFAOYSA-N 0 3 394.313 3.004 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 ZINC000566851240 567195385 /nfs/dbraw/zinc/19/53/85/567195385.db2.gz QSXBDSCLDYOJER-YTQUADARSA-N 0 3 387.277 3.206 20 30 GGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000590416184 567225408 /nfs/dbraw/zinc/22/54/08/567225408.db2.gz ZKFDAQOTPNOYJQ-WMZOPIPTSA-N 0 3 387.277 3.371 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H]2CCC[C@H]2C(=O)OC)cc1OC ZINC000590657277 567236435 /nfs/dbraw/zinc/23/64/35/567236435.db2.gz ARTHFEORBYUKIC-HIFRSBDPSA-N 0 3 398.297 3.454 20 30 GGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306460 567241895 /nfs/dbraw/zinc/24/18/95/567241895.db2.gz SDGIGRKBPDNLNK-RDJZCZTQSA-N 0 3 392.341 3.322 20 30 GGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303733 567242181 /nfs/dbraw/zinc/24/21/81/567242181.db2.gz LZCLKHJPEXLBST-HOCLYGCPSA-N 0 3 378.314 3.074 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCN2CC=CCC2)cc1OC ZINC000475509705 567253196 /nfs/dbraw/zinc/25/31/96/567253196.db2.gz LJIWHXNRHDEJEC-UHFFFAOYSA-N 0 3 381.314 3.374 20 30 GGEDHN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562930 567257303 /nfs/dbraw/zinc/25/73/03/567257303.db2.gz AIWPNVLFSOGDHF-HUUCEWRRSA-N 0 3 383.945 3.248 20 30 GGEDHN C=CCN1CC[C@H](N(Cc2cccc(Br)c2)C2CCOCC2)C1=O ZINC000499722140 567267820 /nfs/dbraw/zinc/26/78/20/567267820.db2.gz YBIYPUBHTSOLAX-SFHVURJKSA-N 0 3 393.325 3.217 20 30 GGEDHN N#CC1(NC(=O)CNC2(c3ccc(Br)cc3)CCCC2)CCC1 ZINC000525886756 567272881 /nfs/dbraw/zinc/27/28/81/567272881.db2.gz GKENYVKTKOJELH-UHFFFAOYSA-N 0 3 376.298 3.370 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)C(C)C ZINC000591643548 567290713 /nfs/dbraw/zinc/29/07/13/567290713.db2.gz XAFMIYJNTNACJT-CQSZACIVSA-N 0 3 395.345 3.478 20 30 GGEDHN Cc1cc(Br)ccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000591734841 567291998 /nfs/dbraw/zinc/29/19/98/567291998.db2.gz HGFKJFFFPPRMGU-QGZVFWFLSA-N 0 3 375.266 3.159 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cccc(Br)c2)cc1 ZINC000591724906 567292423 /nfs/dbraw/zinc/29/24/23/567292423.db2.gz PIBVIQWUEUQDFJ-KRWDZBQOSA-N 0 3 375.266 3.045 20 30 GGEDHN Cc1cc(Br)ccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000591734839 567292456 /nfs/dbraw/zinc/29/24/56/567292456.db2.gz HGFKJFFFPPRMGU-KRWDZBQOSA-N 0 3 375.266 3.159 20 30 GGEDHN N#Cc1cnn2cc(CN3CC[C@@H](Cc4ccc(Br)cc4)C3)cnc12 ZINC000592514488 567344354 /nfs/dbraw/zinc/34/43/54/567344354.db2.gz DJKCXYWXJNNVIA-HNNXBMFYSA-N 0 3 396.292 3.428 20 30 GGEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1cccc(Br)c1 ZINC000548907127 567359555 /nfs/dbraw/zinc/35/95/55/567359555.db2.gz FVAZEQGCLQSCKM-UHFFFAOYSA-N 0 3 384.281 3.431 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)nc(C)n1 ZINC000501319011 567380812 /nfs/dbraw/zinc/38/08/12/567380812.db2.gz HECXSZOQZFQCJX-LBPRGKRZSA-N 0 3 388.221 3.117 20 30 GGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)c1 ZINC000435643004 567381094 /nfs/dbraw/zinc/38/10/94/567381094.db2.gz AJLOVJYGWVBMJD-INIZCTEOSA-N 0 3 381.929 3.287 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(I)ccc2C)nc(C)n1 ZINC000477851488 567423459 /nfs/dbraw/zinc/42/34/59/567423459.db2.gz KOSLLIJXIHFHLV-CQSZACIVSA-N 0 3 391.212 3.497 20 30 GGEDHN CC[C@@H](C#N)C(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000593718320 567436308 /nfs/dbraw/zinc/43/63/08/567436308.db2.gz KQIFWUSVDDEHIO-AWEZNQCLSA-N 0 3 378.314 3.422 20 30 GGEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Br)cn1 ZINC000619465629 567455388 /nfs/dbraw/zinc/45/53/88/567455388.db2.gz SAGLKWACJRXNOB-CYBMUJFWSA-N 0 3 386.297 3.430 20 30 GGEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1ccc(Br)cn1 ZINC000619465630 567455444 /nfs/dbraw/zinc/45/54/44/567455444.db2.gz SAGLKWACJRXNOB-ZDUSSCGKSA-N 0 3 386.297 3.430 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1Br ZINC000594103932 567460420 /nfs/dbraw/zinc/46/04/20/567460420.db2.gz OUZZBTNFDRPHTQ-HOTGVXAUSA-N 0 3 377.286 3.459 20 30 GGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000528923964 567469818 /nfs/dbraw/zinc/46/98/18/567469818.db2.gz NXSJASOTXJLBRC-XQQFMLRXSA-N 0 3 381.295 3.382 20 30 GGEDHN CN(CCC#N)C[C@@H](O)CN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325763 567476353 /nfs/dbraw/zinc/47/63/53/567476353.db2.gz XCXZYMDQRRXNCC-ZWKOTPCHSA-N 0 3 398.320 3.225 20 30 GGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1cc(Cl)cc(Br)c1 ZINC000570418242 567483235 /nfs/dbraw/zinc/48/32/35/567483235.db2.gz GHKJROBNCZRINK-UHFFFAOYSA-N 0 3 382.693 3.174 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCc2c(Cl)cccc2Cl)nc1 ZINC000594575035 567487150 /nfs/dbraw/zinc/48/71/50/567487150.db2.gz NJTYXTJIUWTFOT-UHFFFAOYSA-N 0 3 398.315 3.256 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000594753329 567506900 /nfs/dbraw/zinc/50/69/00/567506900.db2.gz IOPLPNUSYJPCIZ-OAHLLOKOSA-N 0 3 377.535 3.044 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CCCN1CCCC1 ZINC000594780959 567511984 /nfs/dbraw/zinc/51/19/84/567511984.db2.gz JHFQEGMDVOIPME-UHFFFAOYSA-N 0 3 377.535 3.188 20 30 GGEDHN C[C@@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cncc(Br)c1 ZINC000595036564 567537998 /nfs/dbraw/zinc/53/79/98/567537998.db2.gz JNVJDAHHAAVSCZ-CYBMUJFWSA-N 0 3 386.297 3.430 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(Br)cc3C#N)[C@H]2C1 ZINC000571201034 567544858 /nfs/dbraw/zinc/54/48/58/567544858.db2.gz GSFVWCGSHVOVSA-JCGIZDLHSA-N 0 3 376.298 3.057 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000571201035 567545411 /nfs/dbraw/zinc/54/54/11/567545411.db2.gz GSFVWCGSHVOVSA-QGTPRVQTSA-N 0 3 376.298 3.057 20 30 GGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438840669 567550186 /nfs/dbraw/zinc/55/01/86/567550186.db2.gz NUKRZDPFJCDCOA-QGZVFWFLSA-N 0 3 393.256 3.332 20 30 GGEDHN CC(C)[C@H](NCCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](O)C(F)(F)F ZINC000595480791 567566242 /nfs/dbraw/zinc/56/62/42/567566242.db2.gz ADPPJODYBYHYEU-GJZGRUSLSA-N 0 3 377.794 3.078 20 30 GGEDHN N#Cc1ccc(Br)c(CN2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000595473076 567566971 /nfs/dbraw/zinc/56/69/71/567566971.db2.gz UEWUBZIRLKFUMO-KRWDZBQOSA-N 0 3 378.314 3.007 20 30 GGEDHN CN(C)C[C@@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000571767682 567587900 /nfs/dbraw/zinc/58/79/00/567587900.db2.gz ODVOVSSYGIQKQN-CQSZACIVSA-N 0 3 377.275 3.335 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(Br)ccc2F)cc1 ZINC000506138954 567611705 /nfs/dbraw/zinc/61/17/05/567611705.db2.gz YDGVATKSLOURBK-CQSZACIVSA-N 0 3 386.224 3.459 20 30 GGEDHN N#Cc1csc(CNCCCNC(=O)c2ccc(Br)cc2)c1 ZINC000530879439 567628453 /nfs/dbraw/zinc/62/84/53/567628453.db2.gz NQTLISUUZIMPHB-UHFFFAOYSA-N 0 3 378.295 3.292 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cc(F)cc(Br)c2)s1 ZINC000459698761 567651773 /nfs/dbraw/zinc/65/17/73/567651773.db2.gz LGRXDVHVASDZHR-GFCCVEGCSA-N 0 3 383.286 3.462 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2cccs2)cc1 ZINC000481052486 567654839 /nfs/dbraw/zinc/65/48/39/567654839.db2.gz INWZMOBWTHYATK-LBPRGKRZSA-N 0 3 377.491 3.491 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)s2)cc1 ZINC000481065472 567656090 /nfs/dbraw/zinc/65/60/90/567656090.db2.gz ZLLAQRAXOIYKTB-SNVBAGLBSA-N 0 3 383.882 3.409 20 30 GGEDHN N#CCC[C@@H](C#N)CNC1CCN(Cc2cccc(Br)c2)CC1 ZINC000572945160 567676731 /nfs/dbraw/zinc/67/67/31/567676731.db2.gz XRRZWKSNTYYAOW-INIZCTEOSA-N 0 3 375.314 3.447 20 30 GGEDHN CC#CCCNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000460840740 567705775 /nfs/dbraw/zinc/70/57/75/567705775.db2.gz DFGOEAYKUGUMOF-UHFFFAOYSA-N 0 3 392.341 3.468 20 30 GGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000623428525 567709051 /nfs/dbraw/zinc/70/90/51/567709051.db2.gz NQGRGVCXJYIYCV-GJZGRUSLSA-N 0 3 387.929 3.359 20 30 GGEDHN N#Cc1ccc(CNCCCNC(=O)c2cccc(Br)c2)c(F)c1 ZINC000532589127 567723194 /nfs/dbraw/zinc/72/31/94/567723194.db2.gz DCTOWYFVIBFGGQ-UHFFFAOYSA-N 0 3 390.256 3.370 20 30 GGEDHN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000443095822 567731767 /nfs/dbraw/zinc/73/17/67/567731767.db2.gz HEZCMPOEQLZYJL-HUUCEWRRSA-N 0 3 383.945 3.248 20 30 GGEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2c(Cl)cccc2Cl)c1 ZINC000554797964 567750084 /nfs/dbraw/zinc/75/00/84/567750084.db2.gz UTLHADALWRBHML-UHFFFAOYSA-N 0 3 383.300 3.471 20 30 GGEDHN CC(C#N)C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000443381274 567754055 /nfs/dbraw/zinc/75/40/55/567754055.db2.gz IZIUEKROTUGGNC-GXTWGEPZSA-N 0 3 381.270 3.125 20 30 GGEDHN C[C@H]1CN(C2CCOCC2)CCN1c1cc(Br)c(C#N)cc1F ZINC000574170331 567760987 /nfs/dbraw/zinc/76/09/87/567760987.db2.gz NBMPPDOCTWADMY-LBPRGKRZSA-N 0 3 382.277 3.149 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000533627591 567778903 /nfs/dbraw/zinc/77/89/03/567778903.db2.gz MMSOUTPJNOYJIZ-CYBMUJFWSA-N 0 3 398.320 3.469 20 30 GGEDHN C[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620098 567780573 /nfs/dbraw/zinc/78/05/73/567780573.db2.gz YJAXGEUZECCLLR-DZGCQCFKSA-N 0 3 399.329 3.162 20 30 GGEDHN CC(C)(C#N)C[C@H](O)CN[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723470 567785908 /nfs/dbraw/zinc/78/59/08/567785908.db2.gz IGAGCXLKPNKNRM-DZGCQCFKSA-N 0 3 384.307 3.379 20 30 GGEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(Cl)cc(I)c1 ZINC000598726595 567785916 /nfs/dbraw/zinc/78/59/16/567785916.db2.gz UNFKXQUNZHKFES-ZDUSSCGKSA-N 0 3 392.668 3.335 20 30 GGEDHN N#CCc1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000574842223 567800174 /nfs/dbraw/zinc/80/01/74/567800174.db2.gz KYQLODRMJDEJFJ-INIZCTEOSA-N 0 3 381.929 3.045 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccncc1 ZINC000023104401 570343856 /nfs/dbraw/zinc/34/38/56/570343856.db2.gz YLGMGBWARMPAET-CYBMUJFWSA-N 0 3 384.490 3.094 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccccc1 ZINC000032776962 570799475 /nfs/dbraw/zinc/79/94/75/570799475.db2.gz AMXTWZRBCDZBLP-UHFFFAOYSA-N 0 3 385.537 3.223 20 30 GGEDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)[C@@H](C)c1ccc(C#N)cc1)cc2=O ZINC000103427201 570884975 /nfs/dbraw/zinc/88/49/75/570884975.db2.gz NTBMFRPSKBZROU-AWEZNQCLSA-N 0 3 393.447 3.066 20 30 GGEDHN CC(C)N1C(=O)N[C@@H]2CN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000328970689 570993629 /nfs/dbraw/zinc/99/36/29/570993629.db2.gz OQFDEDRKGXQDJZ-SJORKVTESA-N 0 3 389.887 3.271 20 30 GGEDHN C=CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CC1 ZINC000823903582 608267291 /nfs/dbraw/zinc/26/72/91/608267291.db2.gz DOYYTAKMJADBJR-UHFFFAOYSA-N 0 3 386.525 3.176 20 30 GGEDHN C=CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2)C1CC1 ZINC000823903582 608267292 /nfs/dbraw/zinc/26/72/92/608267292.db2.gz DOYYTAKMJADBJR-UHFFFAOYSA-N 0 3 386.525 3.176 20 30 GGEDHN C=CC[N@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CC1 ZINC000823903582 608267293 /nfs/dbraw/zinc/26/72/93/608267293.db2.gz DOYYTAKMJADBJR-UHFFFAOYSA-N 0 3 386.525 3.176 20 30 GGEDHN C=CC[N@@H+](CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2)C1CC1 ZINC000823903582 608267294 /nfs/dbraw/zinc/26/72/94/608267294.db2.gz DOYYTAKMJADBJR-UHFFFAOYSA-N 0 3 386.525 3.176 20 30 GGEDHN C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)CC2)C1 ZINC000824925265 608535650 /nfs/dbraw/zinc/53/56/50/608535650.db2.gz CJNRLHMVWSJKGC-IUODEOHRSA-N 0 3 388.907 3.358 20 30 GGEDHN C[C@@H]1CCC[C@@H]([NH+]2CCC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)CC2)C1 ZINC000824925265 608535651 /nfs/dbraw/zinc/53/56/51/608535651.db2.gz CJNRLHMVWSJKGC-IUODEOHRSA-N 0 3 388.907 3.358 20 30 GGEDHN COc1ccc(N2CCCN(CCC(=O)Nc3sccc3C#N)CC2)cc1 ZINC000053773138 1406506309 /nfs/dbraw/zinc/50/63/09/1406506309.db2.gz CYRWZNMUWBMSAU-UHFFFAOYSA-N 0 3 384.505 3.169 20 30 GGEDHN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)C(C#N)C(=O)NC3CCCC3)C2)c1 ZINC000054465983 1406743780 /nfs/dbraw/zinc/74/37/80/1406743780.db2.gz CKMFTNVFGUHFTP-VQIMIIECSA-N 0 3 396.491 3.007 20 30 GGEDHN Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)C(C#N)C(=O)NC3CCCC3)C2)c1 ZINC000054465988 1406743994 /nfs/dbraw/zinc/74/39/94/1406743994.db2.gz CKMFTNVFGUHFTP-APWZRJJASA-N 0 3 396.491 3.007 20 30 GGEDHN CCC(=O)Nc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000055388366 1406945526 /nfs/dbraw/zinc/94/55/26/1406945526.db2.gz YJWMLFJJZYPWGH-UHFFFAOYSA-N 0 3 378.476 3.111 20 30 GGEDHN COc1ccc([C@@H](C/N=C/c2c([O-])c(C)ncc2CO)[NH+]2CCCCC2)cc1 ZINC000005110861 1398415498 /nfs/dbraw/zinc/41/54/98/1398415498.db2.gz HMAISRRLTMTTBY-GWJNGDFSSA-N 0 3 383.492 3.243 20 30 GGEDHN CCN(CC)S(=O)(=O)c1ccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cc1 ZINC000006143697 1398534769 /nfs/dbraw/zinc/53/47/69/1398534769.db2.gz SDVRILWDQMJTSW-INIZCTEOSA-N 0 3 396.472 3.083 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccncc1 ZINC000007825831 1398752456 /nfs/dbraw/zinc/75/24/56/1398752456.db2.gz GOSROYAMBZIHQV-AWEZNQCLSA-N 0 3 396.501 3.260 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccccc2S(=O)(=O)N(C)C)c([O-])c1 ZINC000011123286 1398952234 /nfs/dbraw/zinc/95/22/34/1398952234.db2.gz PKZFUKLRDITCIW-KGENOOAVSA-N 0 3 389.521 3.108 20 30 GGEDHN COc1ccc(-c2nnc(SCC(=O)C(C#N)c3nc(C)cs3)n2C)cc1 ZINC000022723515 1399495674 /nfs/dbraw/zinc/49/56/74/1399495674.db2.gz AAAHVLIQTUGQRT-CQSZACIVSA-N 0 3 399.501 3.224 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000023409300 1399557575 /nfs/dbraw/zinc/55/75/75/1399557575.db2.gz HHJRNTWUJHYIDF-SFHVURJKSA-N 0 3 377.444 3.319 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(NS(C)(=O)=O)c2)c([O-])c1 ZINC000024824906 1399677046 /nfs/dbraw/zinc/67/70/46/1399677046.db2.gz DMZGUTPRZCVPSM-XSFVSMFZSA-N 0 3 375.494 3.229 20 30 GGEDHN Cc1ccc(OC[C@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303990 1399793976 /nfs/dbraw/zinc/79/39/76/1399793976.db2.gz GCIIGLIYGCTKBJ-HSZRJFAPSA-N 0 3 393.531 3.123 20 30 GGEDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000026321430 1399877963 /nfs/dbraw/zinc/87/79/63/1399877963.db2.gz SIYOJAIJDATJDZ-UHFFFAOYSA-N 0 3 385.851 3.459 20 30 GGEDHN COc1ccc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)cc1OC(F)F ZINC000026453358 1399891841 /nfs/dbraw/zinc/89/18/41/1399891841.db2.gz YKULSWIPXLLSNJ-MRXNPFEDSA-N 0 3 392.402 3.040 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 ZINC000028154954 1400135103 /nfs/dbraw/zinc/13/51/03/1400135103.db2.gz SORFHDLBODHGIA-OAQYLSRUSA-N 0 3 399.922 3.159 20 30 GGEDHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3cccc(C#N)c3)c(C)c2)CC1 ZINC000056170189 1407238924 /nfs/dbraw/zinc/23/89/24/1407238924.db2.gz BPRVHPHPTKFTHT-GOSISDBHSA-N 0 3 391.519 3.448 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056326889 1407299172 /nfs/dbraw/zinc/29/91/72/1407299172.db2.gz JYCISJSRDLWGOB-UHFFFAOYSA-N 0 3 392.503 3.073 20 30 GGEDHN C[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043830244 1403825131 /nfs/dbraw/zinc/82/51/31/1403825131.db2.gz XEVUXQQPJKRCID-MRXNPFEDSA-N 0 3 390.491 3.269 20 30 GGEDHN CO[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045577760 1404150517 /nfs/dbraw/zinc/15/05/17/1404150517.db2.gz ZAPRBWPUZGIFPZ-NRFANRHFSA-N 0 3 380.492 3.019 20 30 GGEDHN Cc1cccc(C)c1OC[C@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000046086872 1404292704 /nfs/dbraw/zinc/29/27/04/1404292704.db2.gz DTJXEDKSGHBFJQ-OAQYLSRUSA-N 0 3 379.504 3.127 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN(C)Cc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000046343147 1404373577 /nfs/dbraw/zinc/37/35/77/1404373577.db2.gz MMMSQIJZZLUCQR-LJQANCHMSA-N 0 3 399.487 3.067 20 30 GGEDHN N#CC(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1 ZINC000046440034 1404415695 /nfs/dbraw/zinc/41/56/95/1404415695.db2.gz MQRSTBKJGUYIHJ-IBGZPJMESA-N 0 3 397.500 3.065 20 30 GGEDHN C[C@@H]1CCCC[C@H]1OCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046830674 1404606549 /nfs/dbraw/zinc/60/65/49/1404606549.db2.gz KNQHYBVYXZNUNG-WIYYLYMNSA-N 0 3 386.540 3.227 20 30 GGEDHN CC(=O)Nc1ccc(/C=C/C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047010273 1404673402 /nfs/dbraw/zinc/67/34/02/1404673402.db2.gz HQQNGPJERSAEDJ-JLHYYAGUSA-N 0 3 390.487 3.120 20 30 GGEDHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000047011363 1404674034 /nfs/dbraw/zinc/67/40/34/1404674034.db2.gz SEYLHKCXRIKNSX-UHFFFAOYSA-N 0 3 383.467 3.229 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000047010978 1404674319 /nfs/dbraw/zinc/67/43/19/1404674319.db2.gz AGIINJLUQAEUKF-UHFFFAOYSA-N 0 3 385.851 3.144 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000047011796 1404675137 /nfs/dbraw/zinc/67/51/37/1404675137.db2.gz ZIILHEMYUADXII-UHFFFAOYSA-N 0 3 397.523 3.152 20 30 GGEDHN N#Cc1ccc(OCCN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000047262559 1404776507 /nfs/dbraw/zinc/77/65/07/1404776507.db2.gz RTXBCJUTYZPHEG-UHFFFAOYSA-N 0 3 384.867 3.336 20 30 GGEDHN N#Cc1cccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000047338248 1404810766 /nfs/dbraw/zinc/81/07/66/1404810766.db2.gz IYIOVJUSTQCQJQ-UHFFFAOYSA-N 0 3 377.492 3.282 20 30 GGEDHN C#Cc1cccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000047399760 1404826440 /nfs/dbraw/zinc/82/64/40/1404826440.db2.gz NNRKDGRMOJMRJN-UHFFFAOYSA-N 0 3 376.504 3.392 20 30 GGEDHN Cc1ccccc1CN1CCCN(CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000048059468 1405037387 /nfs/dbraw/zinc/03/73/87/1405037387.db2.gz PULZHXQONAXZPV-UHFFFAOYSA-N 0 3 390.531 3.450 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000048160253 1405079761 /nfs/dbraw/zinc/07/97/61/1405079761.db2.gz INWYIQABVSAXNB-UHFFFAOYSA-N 0 3 392.503 3.172 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1ccc(C#N)cc1 ZINC000048238884 1405110149 /nfs/dbraw/zinc/11/01/49/1405110149.db2.gz LDMLHCCCGWHQSE-UHFFFAOYSA-N 0 3 392.528 3.254 20 30 GGEDHN N#CC(C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 ZINC000048813361 1405296698 /nfs/dbraw/zinc/29/66/98/1405296698.db2.gz SOQURHIYLWYVNY-KRWDZBQOSA-N 0 3 393.468 3.092 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000048850910 1405307542 /nfs/dbraw/zinc/30/75/42/1405307542.db2.gz WALJLKCNRYBIPS-IBGZPJMESA-N 0 3 398.894 3.349 20 30 GGEDHN N#Cc1ccc(CSCC(=O)NCC2(N3CCSCC3)CCCC2)cc1 ZINC000048975150 1405329949 /nfs/dbraw/zinc/32/99/49/1405329949.db2.gz PMSKZCVDLQUMLT-UHFFFAOYSA-N 0 3 389.590 3.269 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000049229503 1405353922 /nfs/dbraw/zinc/35/39/22/1405353922.db2.gz WKWQMRIWCQKNOT-UXHICEINSA-N 0 3 397.519 3.253 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000049229508 1405354108 /nfs/dbraw/zinc/35/41/08/1405354108.db2.gz WKWQMRIWCQKNOT-WOJBJXKFSA-N 0 3 397.519 3.253 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000049252808 1405357110 /nfs/dbraw/zinc/35/71/10/1405357110.db2.gz QIWHFZDIWIBTRV-IBGZPJMESA-N 0 3 384.455 3.186 20 30 GGEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392333 1405375578 /nfs/dbraw/zinc/37/55/78/1405375578.db2.gz IQPAVFITOBMRDY-CQSZACIVSA-N 0 3 396.357 3.289 20 30 GGEDHN Cc1cc2ccccc2n1CC(=O)C(C#N)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394671 1405376460 /nfs/dbraw/zinc/37/64/60/1405376460.db2.gz JYBYVUXIXARZDI-KRWDZBQOSA-N 0 3 397.442 3.337 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000050031621 1405457488 /nfs/dbraw/zinc/45/74/88/1405457488.db2.gz IHMMBZSEKOGPGJ-SFHVURJKSA-N 0 3 377.488 3.183 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000050031810 1405457900 /nfs/dbraw/zinc/45/79/00/1405457900.db2.gz YGJMHABRFYFOMZ-SFHVURJKSA-N 0 3 389.499 3.461 20 30 GGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000050679921 1405622316 /nfs/dbraw/zinc/62/23/16/1405622316.db2.gz GXYOGYVPOTUPRN-APWZRJJASA-N 0 3 396.491 3.088 20 30 GGEDHN CC(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000050681882 1405623337 /nfs/dbraw/zinc/62/33/37/1405623337.db2.gz ARLFJTMLBWWTQL-MSOLQXFVSA-N 0 3 389.883 3.065 20 30 GGEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000051653938 1405845238 /nfs/dbraw/zinc/84/52/38/1405845238.db2.gz GVBRGSJUYFUUIS-LJQANCHMSA-N 0 3 398.894 3.453 20 30 GGEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1Br ZINC000051654333 1405845453 /nfs/dbraw/zinc/84/54/53/1405845453.db2.gz KECVLAAMJVHTTC-CQSZACIVSA-N 0 3 393.281 3.158 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)nc(C)n1 ZINC000051898163 1405882547 /nfs/dbraw/zinc/88/25/47/1405882547.db2.gz BNWMZLCVRDDKPG-SFHVURJKSA-N 0 3 383.473 3.300 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3sccc3C#N)CC2)c1 ZINC000052034865 1405908136 /nfs/dbraw/zinc/90/81/36/1405908136.db2.gz ZVFMVBMRMAFCBG-UHFFFAOYSA-N 0 3 382.533 3.260 20 30 GGEDHN N#Cc1ccccc1OCCN1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052830025 1406191775 /nfs/dbraw/zinc/19/17/75/1406191775.db2.gz WGUTYEDNFRSHQJ-MRXNPFEDSA-N 0 3 384.867 3.336 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)c(NC(=O)OC(C)(C)C)c2)CC1 ZINC000057170095 1407543103 /nfs/dbraw/zinc/54/31/03/1407543103.db2.gz AFXGEBSRDBBSCV-UHFFFAOYSA-N 0 3 387.480 3.326 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNC(=O)C3(C#N)CCCCC3)CC2)c1 ZINC000057387544 1407604532 /nfs/dbraw/zinc/60/45/32/1407604532.db2.gz FINOZVNFCBBHKY-UHFFFAOYSA-N 0 3 382.552 3.488 20 30 GGEDHN CCN1C[C@@H](CN(C)CCC(=O)Nc2sccc2C#N)Oc2ccccc21 ZINC000058289136 1407807462 /nfs/dbraw/zinc/80/74/62/1407807462.db2.gz BVGLRPOKQYEMPU-MRXNPFEDSA-N 0 3 384.505 3.168 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000058991041 1407908871 /nfs/dbraw/zinc/90/88/71/1407908871.db2.gz ILTDPJCDJVOKAM-UHFFFAOYSA-N 0 3 399.514 3.076 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000062205208 1408217507 /nfs/dbraw/zinc/21/75/07/1408217507.db2.gz TZDJWJMGZRVKQU-GOSISDBHSA-N 0 3 377.916 3.402 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000062205178 1408217706 /nfs/dbraw/zinc/21/77/06/1408217706.db2.gz JWZYZMZNMLVZPU-GOSISDBHSA-N 0 3 377.916 3.402 20 30 GGEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(OC)c1 ZINC000062373129 1408246301 /nfs/dbraw/zinc/24/63/01/1408246301.db2.gz NQNKWXFXGDKBFN-UHFFFAOYSA-N 0 3 382.464 3.171 20 30 GGEDHN CS(=O)(=O)c1ccc(OCCCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000062676830 1408289466 /nfs/dbraw/zinc/28/94/66/1408289466.db2.gz PNSAAQDHKVSXTO-MRXNPFEDSA-N 0 3 398.440 3.267 20 30 GGEDHN CC(=O)c1cccc(O[C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000062880120 1408294383 /nfs/dbraw/zinc/29/43/83/1408294383.db2.gz YMUJAWYUPBNQCJ-GOSISDBHSA-N 0 3 393.487 3.119 20 30 GGEDHN N#Cc1cccc(OCCN2CCC(C(=O)NCCc3cccs3)CC2)c1 ZINC000063301035 1408331939 /nfs/dbraw/zinc/33/19/39/1408331939.db2.gz WCHMZJFQVIPWEV-UHFFFAOYSA-N 0 3 383.517 3.069 20 30 GGEDHN CCCNC(=O)CN(CCC)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000063525751 1408367881 /nfs/dbraw/zinc/36/78/81/1408367881.db2.gz RUOOUSRWJXEHGN-UHFFFAOYSA-N 0 3 390.553 3.065 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(CN2CCCC2)c1 ZINC000063915358 1408444577 /nfs/dbraw/zinc/44/45/77/1408444577.db2.gz CZZUTSJPDAUEDK-UHFFFAOYSA-N 0 3 377.488 3.443 20 30 GGEDHN COc1ccc(CNC[C@H](O)COc2cccc(C)c2)cc1OCCCC#N ZINC000064614333 1408585999 /nfs/dbraw/zinc/58/59/99/1408585999.db2.gz PEJRRENFIKKTIK-IBGZPJMESA-N 0 3 384.476 3.216 20 30 GGEDHN COc1ccc(CNCc2ccccc2Cn2cncn2)cc1OCCCC#N ZINC000064613923 1408586023 /nfs/dbraw/zinc/58/60/23/1408586023.db2.gz CSDGZMDFPCZUKO-UHFFFAOYSA-N 0 3 391.475 3.307 20 30 GGEDHN COc1ccc(CNCCNC(=O)c2cccc(C)c2)cc1OCCCC#N ZINC000064614231 1408586108 /nfs/dbraw/zinc/58/61/08/1408586108.db2.gz VTJXQHOMWKHEOW-UHFFFAOYSA-N 0 3 381.476 3.206 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)CNc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000064722555 1408600736 /nfs/dbraw/zinc/60/07/36/1408600736.db2.gz ORHBAJIFLUPKSQ-UHFFFAOYSA-N 0 3 377.492 3.059 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000065508446 1408680748 /nfs/dbraw/zinc/68/07/48/1408680748.db2.gz XIFIJYBGZNQWIE-LEWJYISDSA-N 0 3 380.467 3.327 20 30 GGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000065512346 1408681946 /nfs/dbraw/zinc/68/19/46/1408681946.db2.gz BMNWBSJHCNAWMH-HXUWFJFHSA-N 0 3 383.448 3.311 20 30 GGEDHN Cc1ccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000065699301 1408713898 /nfs/dbraw/zinc/71/38/98/1408713898.db2.gz IQEIXUPENPKYJF-UHFFFAOYSA-N 0 3 378.520 3.491 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N(CCN(C)C)C1CCCCC1 ZINC000065746518 1408723012 /nfs/dbraw/zinc/72/30/12/1408723012.db2.gz JQMWVMOEFDTTKX-UHFFFAOYSA-N 0 3 387.524 3.449 20 30 GGEDHN CC(C)Oc1cccc(CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930310 1408755946 /nfs/dbraw/zinc/75/59/46/1408755946.db2.gz TXSVNXIHWZTSAS-UHFFFAOYSA-N 0 3 379.504 3.478 20 30 GGEDHN CC(C)C(=O)Nc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065930587 1408756128 /nfs/dbraw/zinc/75/61/28/1408756128.db2.gz DCDOLGIVLPQXTD-UHFFFAOYSA-N 0 3 392.503 3.357 20 30 GGEDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000065931365 1408756161 /nfs/dbraw/zinc/75/61/61/1408756161.db2.gz RAXAZBQQMGFMJL-UHFFFAOYSA-N 0 3 396.447 3.069 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000065931127 1408756341 /nfs/dbraw/zinc/75/63/41/1408756341.db2.gz IMWIUOQKOGBFOO-UHFFFAOYSA-N 0 3 385.851 3.144 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000065931015 1408756391 /nfs/dbraw/zinc/75/63/91/1408756391.db2.gz WVVJHJCAECPNTA-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2cccn2)cc1 ZINC000065930771 1408756553 /nfs/dbraw/zinc/75/65/53/1408756553.db2.gz DRJSPEQZTMGJSC-UHFFFAOYSA-N 0 3 387.487 3.007 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000065939724 1408759911 /nfs/dbraw/zinc/75/99/11/1408759911.db2.gz JLGKDVLUZALDHF-UHFFFAOYSA-N 0 3 399.514 3.076 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000065965119 1408764560 /nfs/dbraw/zinc/76/45/60/1408764560.db2.gz JXCMVMHQPNVTSD-UHFFFAOYSA-N 0 3 388.537 3.109 20 30 GGEDHN C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545184 1408855932 /nfs/dbraw/zinc/85/59/32/1408855932.db2.gz DMYQVVYMPDCLSA-WBMJQRKESA-N 0 3 390.424 3.270 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC000066921749 1408952038 /nfs/dbraw/zinc/95/20/38/1408952038.db2.gz DTWULCHYZZJMHY-UHFFFAOYSA-N 0 3 385.851 3.469 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N(CC)CC)c(Cl)c2)CC1 ZINC000067163098 1409028394 /nfs/dbraw/zinc/02/83/94/1409028394.db2.gz AQWLCKQEXMPJBL-UHFFFAOYSA-N 0 3 375.900 3.106 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)CN1Cc1ccccc1 ZINC000176577438 1428368824 /nfs/dbraw/zinc/36/88/24/1428368824.db2.gz MTPVFCINBXZUOW-YLJYHZDGSA-N 0 3 378.476 3.051 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2C)CC1 ZINC000067207153 1409042429 /nfs/dbraw/zinc/04/24/29/1409042429.db2.gz QHKAUEBCNZWEEQ-ROUUACIJSA-N 0 3 395.547 3.397 20 30 GGEDHN CC(C)OCCN1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000176618966 1428381855 /nfs/dbraw/zinc/38/18/55/1428381855.db2.gz CUVVBBCWDDEYKP-UHFFFAOYSA-N 0 3 386.540 3.368 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2ccc(C)nc21)C(C)C ZINC000067524685 1409144732 /nfs/dbraw/zinc/14/47/32/1409144732.db2.gz PXSDZOSPVRZXKP-FQEVSTJZSA-N 0 3 394.519 3.297 20 30 GGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000176619514 1428381969 /nfs/dbraw/zinc/38/19/69/1428381969.db2.gz MRIIEPXBRZZMIB-UHFFFAOYSA-N 0 3 386.540 3.369 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000067709618 1409212772 /nfs/dbraw/zinc/21/27/72/1409212772.db2.gz XQYOHSZHPDOPKN-ROUUACIJSA-N 0 3 381.520 3.088 20 30 GGEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)cc1OC ZINC000067895905 1409251065 /nfs/dbraw/zinc/25/10/65/1409251065.db2.gz WHMJMGSQSSMBAO-ZDUSSCGKSA-N 0 3 386.429 3.383 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3cc(C)cn3)cc2)n1 ZINC000067897574 1409251804 /nfs/dbraw/zinc/25/18/04/1409251804.db2.gz DENKUBYRNBQWLF-OAHLLOKOSA-N 0 3 380.429 3.304 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)NCc3ccc(OCC#N)cc3)cc2)CC1 ZINC000067925885 1409256966 /nfs/dbraw/zinc/25/69/66/1409256966.db2.gz VSQJNGDUNLIDCE-UHFFFAOYSA-N 0 3 392.503 3.049 20 30 GGEDHN CN(CCC#N)c1ccc(CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000067976288 1409267938 /nfs/dbraw/zinc/26/79/38/1409267938.db2.gz ZNNRHYBRTMCFNQ-QFIPXVFZSA-N 0 3 392.503 3.444 20 30 GGEDHN COc1ccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c2c1 ZINC000068310235 1409360939 /nfs/dbraw/zinc/36/09/39/1409360939.db2.gz YEYLFWGGYYQNFI-UHFFFAOYSA-N 0 3 390.487 3.181 20 30 GGEDHN COc1cccc(SCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000068501555 1409420803 /nfs/dbraw/zinc/42/08/03/1409420803.db2.gz HQFMBGSTOHKJAF-UHFFFAOYSA-N 0 3 383.517 3.249 20 30 GGEDHN C#CCN1CCC(C(=O)NC[C@H](C)Sc2ccc(Br)cc2)CC1 ZINC000068568146 1409440877 /nfs/dbraw/zinc/44/08/77/1409440877.db2.gz MGRBMZOYRNJPCG-AWEZNQCLSA-N 0 3 395.366 3.391 20 30 GGEDHN NC(=NOCc1cccc2cccnc21)c1ccccc1CN1CCC(O)CC1 ZINC000068776585 1409489703 /nfs/dbraw/zinc/48/97/03/1409489703.db2.gz IDEGRXHFBHDSBP-UHFFFAOYSA-N 0 3 390.487 3.029 20 30 GGEDHN Cc1ccccc1OCCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000068776593 1409489805 /nfs/dbraw/zinc/48/98/05/1409489805.db2.gz ZSCPBBJLMAQGQA-UHFFFAOYSA-N 0 3 397.519 3.058 20 30 GGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000068883554 1409515460 /nfs/dbraw/zinc/51/54/60/1409515460.db2.gz KKXHWOAVOJZFTN-QFIPXVFZSA-N 0 3 376.504 3.429 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000068918449 1409524077 /nfs/dbraw/zinc/52/40/77/1409524077.db2.gz PPCAALJWGNTWAL-UHFFFAOYSA-N 0 3 391.471 3.231 20 30 GGEDHN N#CCSc1ccccc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000068967008 1409535346 /nfs/dbraw/zinc/53/53/46/1409535346.db2.gz GYFLSHVJIHDMJG-UHFFFAOYSA-N 0 3 394.544 3.449 20 30 GGEDHN C=C(Br)CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000069075017 1409558073 /nfs/dbraw/zinc/55/80/73/1409558073.db2.gz OZWBODXIDRTPKK-UHFFFAOYSA-N 0 3 381.318 3.167 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069112094 1409568675 /nfs/dbraw/zinc/56/86/75/1409568675.db2.gz DGFUXBAZPACGKF-IBGZPJMESA-N 0 3 399.514 3.006 20 30 GGEDHN C=C(Br)CNC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC000069119561 1409571157 /nfs/dbraw/zinc/57/11/57/1409571157.db2.gz YPUBKBSLIOMSGP-INIZCTEOSA-N 0 3 382.302 3.040 20 30 GGEDHN Cn1c(CO)cnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000176696305 1428414459 /nfs/dbraw/zinc/41/44/59/1428414459.db2.gz WRXVOPFSOHODGV-CQSZACIVSA-N 0 3 384.486 3.004 20 30 GGEDHN N#CCOc1ccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000069314958 1409612130 /nfs/dbraw/zinc/61/21/30/1409612130.db2.gz SPUCGEAJRBCXBL-UHFFFAOYSA-N 0 3 378.476 3.006 20 30 GGEDHN CN(C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828304 1409710787 /nfs/dbraw/zinc/71/07/87/1409710787.db2.gz LTFFJHVSZMZMGJ-UHFFFAOYSA-N 0 3 394.519 3.295 20 30 GGEDHN COc1ccc(C[C@@H](N[C@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787671 1409775484 /nfs/dbraw/zinc/77/54/84/1409775484.db2.gz AQKFLMCSPCTWBF-VGOFRKELSA-N 0 3 395.503 3.338 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(CCO)C2CCCCC2)c1C#N ZINC000071089219 1409820574 /nfs/dbraw/zinc/82/05/74/1409820574.db2.gz NUTHETTZKUAJOQ-UHFFFAOYSA-N 0 3 398.507 3.183 20 30 GGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000071947370 1409832425 /nfs/dbraw/zinc/83/24/25/1409832425.db2.gz NVDTVPLCEKNHEZ-KRWDZBQOSA-N 0 3 394.475 3.202 20 30 GGEDHN Cc1cc(N(CCC#N)C(=O)CN2CCN(CC(C)C)CC2)ccc1Cl ZINC000078276335 1409912365 /nfs/dbraw/zinc/91/23/65/1409912365.db2.gz NSHNCCWXLDUQHJ-UHFFFAOYSA-N 0 3 376.932 3.169 20 30 GGEDHN N#CCCN(Cc1ccccn1)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078419228 1409917475 /nfs/dbraw/zinc/91/74/75/1409917475.db2.gz GPAFTUKOGANBIJ-LJQANCHMSA-N 0 3 380.467 3.375 20 30 GGEDHN COC1CCN(CCNC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000079803718 1409989926 /nfs/dbraw/zinc/98/99/26/1409989926.db2.gz AMCVMRCJMLIWNZ-HNNXBMFYSA-N 0 3 376.526 3.171 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000089819971 1410056890 /nfs/dbraw/zinc/05/68/90/1410056890.db2.gz UOGWPYCFSLMVEA-UHFFFAOYSA-N 0 3 375.900 3.237 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091885932 1410088726 /nfs/dbraw/zinc/08/87/26/1410088726.db2.gz URDMWNCKSKLRIA-HXUWFJFHSA-N 0 3 384.451 3.118 20 30 GGEDHN N#Cc1cccc(OC2CCN(Cc3ccccc3N3CCOCC3)CC2)c1 ZINC000092034399 1410099240 /nfs/dbraw/zinc/09/92/40/1410099240.db2.gz BHFMUNDUTQFVPF-UHFFFAOYSA-N 0 3 377.488 3.438 20 30 GGEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cc(C#N)ccc1C ZINC000176782027 1428458930 /nfs/dbraw/zinc/45/89/30/1428458930.db2.gz MPKBXIMLUGOPCP-UHFFFAOYSA-N 0 3 391.459 3.152 20 30 GGEDHN CN(CCC#N)c1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)cc1 ZINC000092485038 1410161371 /nfs/dbraw/zinc/16/13/71/1410161371.db2.gz QPOGNRKGUKBXRK-UHFFFAOYSA-N 0 3 382.533 3.492 20 30 GGEDHN COc1ccc(CN2CCC[C@H](CNC(=O)C(C)C)C2)cc1OCCCC#N ZINC000092706518 1410191363 /nfs/dbraw/zinc/19/13/63/1410191363.db2.gz LKRIFZQNDQDQRS-LJQANCHMSA-N 0 3 387.524 3.362 20 30 GGEDHN COc1ccc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)cc1OCCCC#N ZINC000092706517 1410191641 /nfs/dbraw/zinc/19/16/41/1410191641.db2.gz LKRIFZQNDQDQRS-IBGZPJMESA-N 0 3 387.524 3.362 20 30 GGEDHN N#CCCn1cc(CN2CCC[C@H](N3CCCC3=O)C2)c(-c2ccccc2)n1 ZINC000093277478 1410228424 /nfs/dbraw/zinc/22/84/24/1410228424.db2.gz OOSFUZCLQSUHQU-FQEVSTJZSA-N 0 3 377.492 3.051 20 30 GGEDHN N#CCCn1cc(CN2CCC[C@@H](N3CCCC3=O)C2)c(-c2ccccc2)n1 ZINC000093277480 1410229039 /nfs/dbraw/zinc/22/90/39/1410229039.db2.gz OOSFUZCLQSUHQU-HXUWFJFHSA-N 0 3 377.492 3.051 20 30 GGEDHN COCCCOC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000093561301 1410253905 /nfs/dbraw/zinc/25/39/05/1410253905.db2.gz DKOCYYCJTAOQAS-UHFFFAOYSA-N 0 3 382.508 3.481 20 30 GGEDHN CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614247 1410256292 /nfs/dbraw/zinc/25/62/92/1410256292.db2.gz JQQBZWULRXVJNG-NHCUHLMSSA-N 0 3 388.508 3.130 20 30 GGEDHN N#CCCn1cc(CN2CCC(N3CCCCC3=O)CC2)c(-c2ccccc2)n1 ZINC000093741486 1410263121 /nfs/dbraw/zinc/26/31/21/1410263121.db2.gz DLGIOBHSIXFAKD-UHFFFAOYSA-N 0 3 391.519 3.441 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000094033649 1410296052 /nfs/dbraw/zinc/29/60/52/1410296052.db2.gz JQVXOZVXLHXYHT-UHFFFAOYSA-N 0 3 379.545 3.227 20 30 GGEDHN Cc1c(Cl)cccc1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000097589584 1410381188 /nfs/dbraw/zinc/38/11/88/1410381188.db2.gz FBXMGAHYEUKCTH-UHFFFAOYSA-N 0 3 385.895 3.489 20 30 GGEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cnn(C)c1 ZINC000101730607 1410495646 /nfs/dbraw/zinc/49/56/46/1410495646.db2.gz JEIZILDHWYNWCZ-UHFFFAOYSA-N 0 3 385.537 3.473 20 30 GGEDHN N#Cc1ccc(OCCCN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000101920540 1410524814 /nfs/dbraw/zinc/52/48/14/1410524814.db2.gz GPILJPMAFBILLY-LJQANCHMSA-N 0 3 382.439 3.362 20 30 GGEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000102120429 1410566247 /nfs/dbraw/zinc/56/62/47/1410566247.db2.gz MKEPUVSATGVKJJ-LLVKDONJSA-N 0 3 391.742 3.357 20 30 GGEDHN Cc1c(NC(=O)C(C#N)C(=O)C2CCCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000102121224 1410566924 /nfs/dbraw/zinc/56/69/24/1410566924.db2.gz FLGHONSVIIAQIT-SFHVURJKSA-N 0 3 394.475 3.102 20 30 GGEDHN N#CCCN(CCC#N)C(=O)CN(Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000102774672 1410741121 /nfs/dbraw/zinc/74/11/21/1410741121.db2.gz QAQHBYHDJPCISQ-UHFFFAOYSA-N 0 3 380.492 3.022 20 30 GGEDHN COC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C ZINC000103244076 1410840316 /nfs/dbraw/zinc/84/03/16/1410840316.db2.gz MCEOFWDHHNVEJQ-UHFFFAOYSA-N 0 3 394.475 3.249 20 30 GGEDHN COC(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n(-c2ccccc2)n1 ZINC000103329192 1410849116 /nfs/dbraw/zinc/84/91/16/1410849116.db2.gz DODFJXAWULAGMR-HNNXBMFYSA-N 0 3 399.410 3.036 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc3c(s2)CCOC3)cc1Cl ZINC000103330306 1410849232 /nfs/dbraw/zinc/84/92/32/1410849232.db2.gz YSKFAKYVFZCGJX-LBPRGKRZSA-N 0 3 390.848 3.444 20 30 GGEDHN CCC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103638911 1410870613 /nfs/dbraw/zinc/87/06/13/1410870613.db2.gz FIHLQCGYCRMSBT-WCQYABFASA-N 0 3 396.274 3.289 20 30 GGEDHN CCC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000103639186 1410870743 /nfs/dbraw/zinc/87/07/43/1410870743.db2.gz HIMYOORFTXXIMO-IAQYHMDHSA-N 0 3 396.274 3.289 20 30 GGEDHN CCC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000103639189 1410870795 /nfs/dbraw/zinc/87/07/95/1410870795.db2.gz HIMYOORFTXXIMO-NHYWBVRUSA-N 0 3 396.274 3.289 20 30 GGEDHN NC(=NOCc1ccc(F)cc1Cl)c1ccccc1CN1CCC(O)CC1 ZINC000104054348 1410883214 /nfs/dbraw/zinc/88/32/14/1410883214.db2.gz HVYAHAHVGZKIQN-UHFFFAOYSA-N 0 3 391.874 3.273 20 30 GGEDHN CCOc1ccc(OC[C@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104716264 1410939751 /nfs/dbraw/zinc/93/97/51/1410939751.db2.gz CREDYEIGELARFO-LJQANCHMSA-N 0 3 396.487 3.240 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715438 1410940802 /nfs/dbraw/zinc/94/08/02/1410940802.db2.gz PZKRGHGKIYCPHP-UHFFFAOYSA-N 0 3 380.473 3.363 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000105024737 1411017200 /nfs/dbraw/zinc/01/72/00/1411017200.db2.gz GMGKRJJLNVPVGY-UHFFFAOYSA-N 0 3 391.519 3.148 20 30 GGEDHN CN(C)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000105075115 1411024799 /nfs/dbraw/zinc/02/47/99/1411024799.db2.gz IGBLLCZBVAEVBG-QFIPXVFZSA-N 0 3 392.503 3.414 20 30 GGEDHN CN(C)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000105075119 1411025202 /nfs/dbraw/zinc/02/52/02/1411025202.db2.gz IGBLLCZBVAEVBG-JOCHJYFZSA-N 0 3 392.503 3.414 20 30 GGEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000176971965 1428535303 /nfs/dbraw/zinc/53/53/03/1428535303.db2.gz FNQMPNUJWMJLRW-HOTGVXAUSA-N 0 3 388.487 3.441 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 ZINC000106036473 1411156557 /nfs/dbraw/zinc/15/65/57/1411156557.db2.gz XFPHHDAAZSGVPQ-UHFFFAOYSA-N 0 3 382.483 3.270 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(NC(=O)NC(C)C)cc2)CC1 ZINC000106264597 1411185407 /nfs/dbraw/zinc/18/54/07/1411185407.db2.gz BYNZBCHCYUVXOG-UHFFFAOYSA-N 0 3 387.528 3.056 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)NCCCCCC)C2)CC1 ZINC000106275680 1411189313 /nfs/dbraw/zinc/18/93/13/1411189313.db2.gz IDDMSIFRGDLQPZ-LJQANCHMSA-N 0 3 392.588 3.145 20 30 GGEDHN C=CCc1cc(CNC(=O)NC2CCN(CC(=C)C)CC2)cc(OC)c1OC ZINC000106275696 1411190098 /nfs/dbraw/zinc/19/00/98/1411190098.db2.gz DFBQUYJLIQJWIG-UHFFFAOYSA-N 0 3 387.524 3.272 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000106322236 1411195019 /nfs/dbraw/zinc/19/50/19/1411195019.db2.gz NOVYGYSXUBYFOC-UHFFFAOYSA-N 0 3 384.524 3.475 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000106329621 1411195810 /nfs/dbraw/zinc/19/58/10/1411195810.db2.gz CQMQZLUZTKYVLE-UHFFFAOYSA-N 0 3 395.551 3.388 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000106341202 1411198115 /nfs/dbraw/zinc/19/81/15/1411198115.db2.gz MTVSTGQTBLWVNA-SFHVURJKSA-N 0 3 377.554 3.479 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000106341228 1411198725 /nfs/dbraw/zinc/19/87/25/1411198725.db2.gz BJYBWORRRQQDOV-LJQANCHMSA-N 0 3 385.508 3.345 20 30 GGEDHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000106869475 1411313322 /nfs/dbraw/zinc/31/33/22/1411313322.db2.gz OWFHHTKDZHHHCI-OAHLLOKOSA-N 0 3 392.887 3.139 20 30 GGEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)C(C#N)C(=O)NC(C)C ZINC000106984827 1411333084 /nfs/dbraw/zinc/33/30/84/1411333084.db2.gz GFMXUDZRHXHDOO-FQEVSTJZSA-N 0 3 380.492 3.023 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)Cc2ccccc2OC)cc1 ZINC000107409690 1411375739 /nfs/dbraw/zinc/37/57/39/1411375739.db2.gz LNUSDOLAJOEVGY-JXFKEZNVSA-N 0 3 394.471 3.298 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1Cl ZINC000108393470 1411488334 /nfs/dbraw/zinc/48/83/34/1411488334.db2.gz DILFWHNAICFIOW-UHFFFAOYSA-N 0 3 389.908 3.286 20 30 GGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000108468660 1411512620 /nfs/dbraw/zinc/51/26/20/1411512620.db2.gz PYFQNOXIEUEUMF-IRLDBZIGSA-N 0 3 379.504 3.251 20 30 GGEDHN C#CCOc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000108520447 1411528941 /nfs/dbraw/zinc/52/89/41/1411528941.db2.gz GTCVROVKZDYGOF-UHFFFAOYSA-N 0 3 376.460 3.166 20 30 GGEDHN C=CCNC(=O)C(C#N)C(=O)CCCSc1ccc(Br)cc1 ZINC000108624579 1411559231 /nfs/dbraw/zinc/55/92/31/1411559231.db2.gz XUQJGVXIUQAOOI-CQSZACIVSA-N 0 3 381.295 3.332 20 30 GGEDHN C#CCN1CCC(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000108933437 1411643069 /nfs/dbraw/zinc/64/30/69/1411643069.db2.gz UJDLJLPGDLJASB-UHFFFAOYSA-N 0 3 376.500 3.270 20 30 GGEDHN COCCN1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000109029462 1411665283 /nfs/dbraw/zinc/66/52/83/1411665283.db2.gz PDTFEBXKKTYFCM-OAHLLOKOSA-N 0 3 376.526 3.313 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)CN1C1CC1 ZINC000177100062 1428588085 /nfs/dbraw/zinc/58/80/85/1428588085.db2.gz FXJOOQHVEJOPEA-OXJNMPFZSA-N 0 3 375.472 3.492 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)Cc3cccc(C#N)c3)cc2)CC1 ZINC000109198017 1411710805 /nfs/dbraw/zinc/71/08/05/1411710805.db2.gz VJLOJHXBHFCXAP-UHFFFAOYSA-N 0 3 376.504 3.361 20 30 GGEDHN C=CCOc1ccc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000109854574 1411814667 /nfs/dbraw/zinc/81/46/67/1411814667.db2.gz BPNABOINNUHWOW-LJQANCHMSA-N 0 3 393.487 3.201 20 30 GGEDHN C#CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)C1CCCCC1 ZINC000110185248 1411836070 /nfs/dbraw/zinc/83/60/70/1411836070.db2.gz DWLQOJVXCPJGFJ-UHFFFAOYSA-N 0 3 385.577 3.442 20 30 GGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000110188555 1411836221 /nfs/dbraw/zinc/83/62/21/1411836221.db2.gz IGGHEFHEULWYGP-IRLDBZIGSA-N 0 3 375.472 3.274 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CN1C1CC1 ZINC000177138436 1428600014 /nfs/dbraw/zinc/60/00/14/1428600014.db2.gz MRPCVSNNBBDUDQ-OXQOHEQNSA-N 0 3 375.472 3.492 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CN1C1CC1 ZINC000177138451 1428600064 /nfs/dbraw/zinc/60/00/64/1428600064.db2.gz MRPCVSNNBBDUDQ-OXJNMPFZSA-N 0 3 375.472 3.492 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2c(N3CCCC3)cccc2N2CCCC2)CC1 ZINC000110274127 1411842009 /nfs/dbraw/zinc/84/20/09/1411842009.db2.gz FSZXUAQPTUAUJJ-UHFFFAOYSA-N 0 3 380.536 3.171 20 30 GGEDHN C[C@@H](CN1CCOCC1)N(CCOc1ccccc1C#N)Cc1ccccc1 ZINC000111054399 1411884704 /nfs/dbraw/zinc/88/47/04/1411884704.db2.gz DSNKZRFKPUZLRC-FQEVSTJZSA-N 0 3 379.504 3.160 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1 ZINC000111731481 1412019414 /nfs/dbraw/zinc/01/94/14/1412019414.db2.gz CFFHYAYQZSWVFC-KRWDZBQOSA-N 0 3 380.492 3.244 20 30 GGEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000111770299 1412027796 /nfs/dbraw/zinc/02/77/96/1412027796.db2.gz TVVIUMIDECHJRX-UHFFFAOYSA-N 0 3 399.498 3.472 20 30 GGEDHN C[C@@H](N[C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112533492 1412164828 /nfs/dbraw/zinc/16/48/28/1412164828.db2.gz TWXPTNOEMUMSEV-HZPDHXFCSA-N 0 3 396.466 3.489 20 30 GGEDHN CCNc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000112821159 1412221920 /nfs/dbraw/zinc/22/19/20/1412221920.db2.gz LDVHHDSQRQGFSA-UHFFFAOYSA-N 0 3 395.463 3.102 20 30 GGEDHN C#CCCOc1ccc(CNCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000113327883 1412293070 /nfs/dbraw/zinc/29/30/70/1412293070.db2.gz SVGOYUOKUYRKPD-JOCHJYFZSA-N 0 3 378.472 3.496 20 30 GGEDHN C#CCCOc1ccc(CNCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 ZINC000113327881 1412293597 /nfs/dbraw/zinc/29/35/97/1412293597.db2.gz SVGOYUOKUYRKPD-QFIPXVFZSA-N 0 3 378.472 3.496 20 30 GGEDHN C#CCOc1ccc(CNCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 ZINC000113327943 1412293607 /nfs/dbraw/zinc/29/36/07/1412293607.db2.gz XFYKGGOQFGHRSG-UHFFFAOYSA-N 0 3 386.517 3.017 20 30 GGEDHN N#CCOc1cccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1 ZINC000113409197 1412304185 /nfs/dbraw/zinc/30/41/85/1412304185.db2.gz XZOXPIYLZVJBEC-OAQYLSRUSA-N 0 3 378.476 3.225 20 30 GGEDHN N#CCOc1cccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000113580649 1412317914 /nfs/dbraw/zinc/31/79/14/1412317914.db2.gz HDVQJIWIYNTDOM-GOSISDBHSA-N 0 3 384.505 3.287 20 30 GGEDHN CCc1ccc([C@H](CNC(=O)NCc2cccc(OCC#N)c2)N(C)C)cc1 ZINC000113580516 1412317946 /nfs/dbraw/zinc/31/79/46/1412317946.db2.gz GYVUDLZBGWDEOJ-NRFANRHFSA-N 0 3 380.492 3.253 20 30 GGEDHN C[C@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000113654247 1412331250 /nfs/dbraw/zinc/33/12/50/1412331250.db2.gz ZJGCWGVPJDGRLP-AAEUAGOBSA-N 0 3 376.819 3.441 20 30 GGEDHN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000113654248 1412331600 /nfs/dbraw/zinc/33/16/00/1412331600.db2.gz ZJGCWGVPJDGRLP-YPMHNXCESA-N 0 3 376.819 3.441 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000114527302 1412453594 /nfs/dbraw/zinc/45/35/94/1412453594.db2.gz DHGUYKUBMOXLSB-CQSZACIVSA-N 0 3 379.476 3.244 20 30 GGEDHN N#CCOc1cccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1 ZINC000114790986 1412526236 /nfs/dbraw/zinc/52/62/36/1412526236.db2.gz JHFVLDOVTHUBBC-FQEVSTJZSA-N 0 3 378.476 3.053 20 30 GGEDHN CCN1CCN(c2ccc(NS(=O)(=O)c3cc(C#N)ccc3C)c(C)c2)CC1 ZINC000114850161 1412541231 /nfs/dbraw/zinc/54/12/31/1412541231.db2.gz CNOHKEYKMFZVMJ-UHFFFAOYSA-N 0 3 398.532 3.118 20 30 GGEDHN Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000114850184 1412541481 /nfs/dbraw/zinc/54/14/81/1412541481.db2.gz BIVLZGLISTZMOB-UHFFFAOYSA-N 0 3 398.532 3.198 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000115029596 1412572593 /nfs/dbraw/zinc/57/25/93/1412572593.db2.gz YGODDLQXCPPYNE-UHFFFAOYSA-N 0 3 378.451 3.312 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C2CCC(C)CC2)CC1 ZINC000115254709 1412622111 /nfs/dbraw/zinc/62/21/11/1412622111.db2.gz UVKHOEIMKVAAFI-UHFFFAOYSA-N 0 3 385.556 3.069 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)CC1 ZINC000115258136 1412623740 /nfs/dbraw/zinc/62/37/40/1412623740.db2.gz HTXAHMFXFDMMGT-MHZLTWQESA-N 0 3 380.513 3.278 20 30 GGEDHN N#Cc1ccc([C@H](NCC2(c3ccc(Cl)cc3)CCOCC2)C(N)=O)cc1 ZINC000115598159 1412724904 /nfs/dbraw/zinc/72/49/04/1412724904.db2.gz VOYLMLNNTIZILI-IBGZPJMESA-N 0 3 383.879 3.076 20 30 GGEDHN Cc1cc(N(C)C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000115855829 1412803118 /nfs/dbraw/zinc/80/31/18/1412803118.db2.gz HYLXMZPIWVROLR-UHFFFAOYSA-N 0 3 393.535 3.206 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000116562186 1412877791 /nfs/dbraw/zinc/87/77/91/1412877791.db2.gz JZQPWJDVSFQWOW-YLJYHZDGSA-N 0 3 398.457 3.466 20 30 GGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(F)c1 ZINC000116593190 1412884965 /nfs/dbraw/zinc/88/49/65/1412884965.db2.gz NYZBPGJAJVSGBL-IFXJQAMLSA-N 0 3 395.434 3.369 20 30 GGEDHN COCCN(C)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000116745985 1412914523 /nfs/dbraw/zinc/91/45/23/1412914523.db2.gz CBMGZVKBHDNPNN-UHFFFAOYSA-N 0 3 387.867 3.312 20 30 GGEDHN COCCN(C)CCNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000116745969 1412915197 /nfs/dbraw/zinc/91/51/97/1412915197.db2.gz GKZAERGMTLINOD-UHFFFAOYSA-N 0 3 387.867 3.312 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2C)CC1 ZINC000177326271 1428691332 /nfs/dbraw/zinc/69/13/32/1428691332.db2.gz KVKIQKSHLPBADB-GOSISDBHSA-N 0 3 398.551 3.079 20 30 GGEDHN N#CCCn1ccc(NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000117718302 1413070803 /nfs/dbraw/zinc/07/08/03/1413070803.db2.gz UMJSVOGCPDQMEM-SFHVURJKSA-N 0 3 391.397 3.190 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)CC1 ZINC000117793456 1413079221 /nfs/dbraw/zinc/07/92/21/1413079221.db2.gz GXEJGOBBKQIESV-UHFFFAOYSA-N 0 3 385.487 3.300 20 30 GGEDHN CC1CCN([C@@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000118093306 1413108089 /nfs/dbraw/zinc/10/80/89/1413108089.db2.gz SSDGMTCYURNEIR-NRFANRHFSA-N 0 3 390.487 3.086 20 30 GGEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000118125165 1413114148 /nfs/dbraw/zinc/11/41/48/1413114148.db2.gz QELLNJGUICPNHU-HOTGVXAUSA-N 0 3 388.537 3.010 20 30 GGEDHN CCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 ZINC000118826414 1413235013 /nfs/dbraw/zinc/23/50/13/1413235013.db2.gz BEHZGJCJYJNLAS-UHFFFAOYSA-N 0 3 397.498 3.071 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccc(Cl)c(C)c2)cc1 ZINC000119345694 1413418418 /nfs/dbraw/zinc/41/84/18/1413418418.db2.gz DVNKIADPPCOIJV-KRWDZBQOSA-N 0 3 386.835 3.061 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2)cc1 ZINC000119363019 1413424163 /nfs/dbraw/zinc/42/41/63/1413424163.db2.gz KQTWBWCGDRXRPA-LJQANCHMSA-N 0 3 384.407 3.019 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2cccc(C(C)C)c2)cc1 ZINC000119368912 1413426387 /nfs/dbraw/zinc/42/63/87/1413426387.db2.gz TVGJZCXBWRBMQA-FQEVSTJZSA-N 0 3 380.444 3.223 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2F)cc1 ZINC000119644864 1413514388 /nfs/dbraw/zinc/51/43/88/1413514388.db2.gz JTLGZAWQOLALDN-INIZCTEOSA-N 0 3 388.370 3.480 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000119910866 1413613884 /nfs/dbraw/zinc/61/38/84/1413613884.db2.gz OHPXOCWRWMURMH-MRXNPFEDSA-N 0 3 392.390 3.371 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000120034352 1413661970 /nfs/dbraw/zinc/66/19/70/1413661970.db2.gz GSOCZEYWEZJYIB-INIZCTEOSA-N 0 3 398.536 3.146 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(F)cc2F)cc1 ZINC000120076514 1413677870 /nfs/dbraw/zinc/67/78/70/1413677870.db2.gz RAHGMQUIPPWHDF-INIZCTEOSA-N 0 3 386.354 3.032 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(C#N)s2)C(C)C)cc1 ZINC000120110405 1413691862 /nfs/dbraw/zinc/69/18/62/1413691862.db2.gz YOIOOKBVOSBUBF-KRWDZBQOSA-N 0 3 387.505 3.228 20 30 GGEDHN CC(=O)Nc1ccc(C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000120137968 1413702565 /nfs/dbraw/zinc/70/25/65/1413702565.db2.gz ILBQCULJEPXGOH-UHFFFAOYSA-N 0 3 393.491 3.421 20 30 GGEDHN C[C@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000120292654 1413771059 /nfs/dbraw/zinc/77/10/59/1413771059.db2.gz YPADUAKILRKZTI-HOTGVXAUSA-N 0 3 397.523 3.352 20 30 GGEDHN CCN1CCN(CCNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000120305451 1413776762 /nfs/dbraw/zinc/77/67/62/1413776762.db2.gz HGOCEGHRSYWBJX-UHFFFAOYSA-N 0 3 392.503 3.026 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000120316420 1413782425 /nfs/dbraw/zinc/78/24/25/1413782425.db2.gz YOPKTWFJOLOJHZ-GOSISDBHSA-N 0 3 384.505 3.070 20 30 GGEDHN CC(=O)CCc1ccc(O[C@@H](C)C(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000120377657 1413805291 /nfs/dbraw/zinc/80/52/91/1413805291.db2.gz GWVAECKNPQFRMG-UWJYYQICSA-N 0 3 392.455 3.001 20 30 GGEDHN CC(=O)CCc1ccc(O[C@H](C)C(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000120377820 1413805364 /nfs/dbraw/zinc/80/53/64/1413805364.db2.gz GWVAECKNPQFRMG-UTKZUKDTSA-N 0 3 392.455 3.001 20 30 GGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000120449344 1413820480 /nfs/dbraw/zinc/82/04/80/1413820480.db2.gz LQXRIGBXARZHKF-QFIPXVFZSA-N 0 3 390.483 3.442 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2)c1 ZINC000120455170 1413821629 /nfs/dbraw/zinc/82/16/29/1413821629.db2.gz RCNLOLPAHOJUMH-MRXNPFEDSA-N 0 3 394.818 3.495 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000120752135 1413892634 /nfs/dbraw/zinc/89/26/34/1413892634.db2.gz FHCWWNCBRYEJDL-UHFFFAOYSA-N 0 3 388.475 3.340 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cc(-c2ccccc2)on1 ZINC000121131281 1414019108 /nfs/dbraw/zinc/01/91/08/1414019108.db2.gz CEFJXYLOIFJOJW-UHFFFAOYSA-N 0 3 388.471 3.346 20 30 GGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000121176734 1414033840 /nfs/dbraw/zinc/03/38/40/1414033840.db2.gz ZZKAZURBADFMSL-BUVFEPMLSA-N 0 3 375.472 3.469 20 30 GGEDHN N#CC(C(=O)CCSc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000121175072 1414033896 /nfs/dbraw/zinc/03/38/96/1414033896.db2.gz OCACSQFTGKEJFT-AWEZNQCLSA-N 0 3 381.295 3.263 20 30 GGEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000121220777 1414048056 /nfs/dbraw/zinc/04/80/56/1414048056.db2.gz OLSSLJSWHAGUSN-LJQANCHMSA-N 0 3 385.508 3.019 20 30 GGEDHN Cc1nc(SCC(=O)N(CCN(C)C)Cc2ccco2)c(C#N)c(C)c1C ZINC000121272661 1414066910 /nfs/dbraw/zinc/06/69/10/1414066910.db2.gz WGTQEXKDRUPYNB-UHFFFAOYSA-N 0 3 386.521 3.154 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccc(F)cc2)cc1 ZINC000121301445 1414077255 /nfs/dbraw/zinc/07/72/55/1414077255.db2.gz NOACMGUXYCZSAM-IBGZPJMESA-N 0 3 395.434 3.246 20 30 GGEDHN C=C[C@@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)c1ccccc1 ZINC000121488291 1414146274 /nfs/dbraw/zinc/14/62/74/1414146274.db2.gz PHYDVLSEHQLEJB-INIZCTEOSA-N 0 3 379.460 3.455 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1 ZINC000121534773 1414166095 /nfs/dbraw/zinc/16/60/95/1414166095.db2.gz JTFAAIZZZPXILD-UHFFFAOYSA-N 0 3 393.413 3.056 20 30 GGEDHN N#Cc1ccc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)s1 ZINC000121656135 1414213681 /nfs/dbraw/zinc/21/36/81/1414213681.db2.gz ONSXSZMYHVBWIW-UHFFFAOYSA-N 0 3 390.408 3.082 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2csc(-c3ccoc3)n2)c1 ZINC000121668241 1414217143 /nfs/dbraw/zinc/21/71/43/1414217143.db2.gz RWRNMQYELLZBHE-INIZCTEOSA-N 0 3 381.413 3.302 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000121748470 1414244512 /nfs/dbraw/zinc/24/45/12/1414244512.db2.gz NQIDZTWWCRSWHU-AWEZNQCLSA-N 0 3 381.413 3.302 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000121787312 1414256725 /nfs/dbraw/zinc/25/67/25/1414256725.db2.gz YNXFLVKNANNOEP-MRXNPFEDSA-N 0 3 381.413 3.302 20 30 GGEDHN CCC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CCOC ZINC000121925041 1414309718 /nfs/dbraw/zinc/30/97/18/1414309718.db2.gz WSFMNKQKZNYQEI-SFHVURJKSA-N 0 3 384.442 3.369 20 30 GGEDHN N#CCCn1cc(CN(CCC(N)=O)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000122082166 1414357880 /nfs/dbraw/zinc/35/78/80/1414357880.db2.gz IWGSODVXGWARKQ-UHFFFAOYSA-N 0 3 387.487 3.341 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000122122185 1414368008 /nfs/dbraw/zinc/36/80/08/1414368008.db2.gz JPFCXLJFZMUQJD-SNVBAGLBSA-N 0 3 378.613 3.459 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000122207338 1414388774 /nfs/dbraw/zinc/38/87/74/1414388774.db2.gz YBGXKZSIKLTDKH-HNNXBMFYSA-N 0 3 382.464 3.397 20 30 GGEDHN N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c1 ZINC000122485539 1414477789 /nfs/dbraw/zinc/47/77/89/1414477789.db2.gz KZLPNLCRTPJXSS-IRLDBZIGSA-N 0 3 395.528 3.233 20 30 GGEDHN COc1cc(OC)c(OC)cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122822929 1414573904 /nfs/dbraw/zinc/57/39/04/1414573904.db2.gz CRWIKHGNOMKQAZ-UHFFFAOYSA-N 0 3 395.503 3.292 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000122843165 1414578691 /nfs/dbraw/zinc/57/86/91/1414578691.db2.gz AOMSVNNJAUCKJM-HNNXBMFYSA-N 0 3 389.411 3.184 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000122870795 1414585326 /nfs/dbraw/zinc/58/53/26/1414585326.db2.gz WNSWBYOCZMCZPO-UHFFFAOYSA-N 0 3 395.507 3.122 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123076148 1414634767 /nfs/dbraw/zinc/63/47/67/1414634767.db2.gz HHYZCLZISMIXCW-QRWLVFNGSA-N 0 3 399.466 3.108 20 30 GGEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2[nH]1 ZINC000123135493 1414650735 /nfs/dbraw/zinc/65/07/35/1414650735.db2.gz YWDWBLKRCXGSJP-INIZCTEOSA-N 0 3 388.427 3.483 20 30 GGEDHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123831388 1414831574 /nfs/dbraw/zinc/83/15/74/1414831574.db2.gz CZGQJIMWNVRCCI-LJQANCHMSA-N 0 3 389.499 3.016 20 30 GGEDHN COc1ccc(CNC[C@@H](O)c2c(F)cccc2F)cc1OCCCC#N ZINC000124008345 1414868124 /nfs/dbraw/zinc/86/81/24/1414868124.db2.gz DBKQSNFXWHWKML-QGZVFWFLSA-N 0 3 376.403 3.479 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccoc3)no2)cc1 ZINC000124028653 1414872600 /nfs/dbraw/zinc/87/26/00/1414872600.db2.gz QGBFTRBKSBRPGU-MRXNPFEDSA-N 0 3 378.388 3.172 20 30 GGEDHN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)C(C#N)C(=O)N3CCCC3)cc12 ZINC000124438044 1414968051 /nfs/dbraw/zinc/96/80/51/1414968051.db2.gz ZOLNCUFJRZFEDU-INIZCTEOSA-N 0 3 396.447 3.479 20 30 GGEDHN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1)C2=O ZINC000177767434 1428853557 /nfs/dbraw/zinc/85/35/57/1428853557.db2.gz QCPQQZNUVJFDJN-IUODEOHRSA-N 0 3 381.457 3.436 20 30 GGEDHN N#CCc1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000124554138 1414992348 /nfs/dbraw/zinc/99/23/48/1414992348.db2.gz AQQLWDUGNAPXDB-UHFFFAOYSA-N 0 3 391.519 3.477 20 30 GGEDHN N#CC(C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000124677064 1415019243 /nfs/dbraw/zinc/01/92/43/1415019243.db2.gz WNMGOYVCXNKYCB-SECBINFHSA-N 0 3 375.639 3.357 20 30 GGEDHN CC(C)c1ccc(-n2ccnc2SCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000124739920 1415033544 /nfs/dbraw/zinc/03/35/44/1415033544.db2.gz VOLSCQRZXKTCLC-SFHVURJKSA-N 0 3 396.516 3.419 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CC(=O)N(CCOc3ccccc3)C2)c([O-])c1 ZINC000125159436 1415121490 /nfs/dbraw/zinc/12/14/90/1415121490.db2.gz PXJRDECPOCQOJJ-JWGRYVKWSA-N 0 3 395.503 3.337 20 30 GGEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccccn1 ZINC000125190920 1415126886 /nfs/dbraw/zinc/12/68/86/1415126886.db2.gz YIHQQNOKOGEMLZ-AWEZNQCLSA-N 0 3 378.363 3.156 20 30 GGEDHN Cc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000125234295 1415135679 /nfs/dbraw/zinc/13/56/79/1415135679.db2.gz NPTXYGKEBITSTM-QGZVFWFLSA-N 0 3 385.427 3.026 20 30 GGEDHN CNS(=O)(=O)c1cccc([C@@H](C)NCCSCc2ccccc2C#N)c1 ZINC000177822251 1428865146 /nfs/dbraw/zinc/86/51/46/1428865146.db2.gz PAMVHPOVFQSFAE-OAHLLOKOSA-N 0 3 389.546 3.050 20 30 GGEDHN N#Cc1ccc(OC2CCC(NCc3nccn3CC(F)(F)F)CC2)nc1 ZINC000125416952 1415192440 /nfs/dbraw/zinc/19/24/40/1415192440.db2.gz CFQMVNAILKIDSZ-UHFFFAOYSA-N 0 3 379.386 3.192 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000125517633 1415218938 /nfs/dbraw/zinc/21/89/38/1415218938.db2.gz YWVBCAYAAWKTAP-CQSZACIVSA-N 0 3 391.518 3.054 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000125527428 1415220720 /nfs/dbraw/zinc/22/07/20/1415220720.db2.gz YLMFIKFAMNRQSL-CYBMUJFWSA-N 0 3 387.263 3.012 20 30 GGEDHN Cc1ccc(Cl)c(O[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000125538044 1415222272 /nfs/dbraw/zinc/22/22/72/1415222272.db2.gz SQXSQRSPGRLEFP-CABCVRRESA-N 0 3 380.872 3.056 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000125610267 1415237611 /nfs/dbraw/zinc/23/76/11/1415237611.db2.gz RKLVDJOHHPPQSK-QZTJIDSGSA-N 0 3 394.560 3.162 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000125612585 1415238395 /nfs/dbraw/zinc/23/83/95/1415238395.db2.gz ORYFAJURXFQNRZ-QGZVFWFLSA-N 0 3 396.491 3.450 20 30 GGEDHN Cc1cccc(NC2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000125677859 1415252453 /nfs/dbraw/zinc/25/24/53/1415252453.db2.gz IFXOLWJHEJOLRC-JOCHJYFZSA-N 0 3 379.504 3.377 20 30 GGEDHN C[C@H](Sc1nnnn1C1CC1)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000125699482 1415256682 /nfs/dbraw/zinc/25/66/82/1415256682.db2.gz NMPGFQFJXMHJSY-SMDDNHRTSA-N 0 3 396.501 3.489 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000125723185 1415262063 /nfs/dbraw/zinc/26/20/63/1415262063.db2.gz IJEDATCFHNZSNA-OAQYLSRUSA-N 0 3 380.488 3.022 20 30 GGEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177902752 1428887699 /nfs/dbraw/zinc/88/76/99/1428887699.db2.gz FTMYBBOHKSBJFN-HOTGVXAUSA-N 0 3 388.487 3.441 20 30 GGEDHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000125993191 1415332257 /nfs/dbraw/zinc/33/22/57/1415332257.db2.gz YPUWCLJRDBOYLI-UGKGYDQZSA-N 0 3 392.503 3.434 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nccn1C(C)(C)C ZINC000126045508 1415343420 /nfs/dbraw/zinc/34/34/20/1415343420.db2.gz NLOMRZHWLWVTHG-UHFFFAOYSA-N 0 3 399.564 3.192 20 30 GGEDHN N#CC1(c2ccccc2)CC(NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000126187566 1415379667 /nfs/dbraw/zinc/37/96/67/1415379667.db2.gz WQZVJAGLLPWONH-UHFFFAOYSA-N 0 3 391.515 3.111 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000126230640 1415389527 /nfs/dbraw/zinc/38/95/27/1415389527.db2.gz JXRWKWFDUXLREN-LJQANCHMSA-N 0 3 377.488 3.254 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COCCc2ccccc2)cc1Cl ZINC000126268877 1415398720 /nfs/dbraw/zinc/39/87/20/1415398720.db2.gz IAGFHFDPWQEUFU-INIZCTEOSA-N 0 3 386.835 3.255 20 30 GGEDHN C#CCNC(=O)[C@H](C)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000126424556 1415449277 /nfs/dbraw/zinc/44/92/77/1415449277.db2.gz DVQUMTJBOVPUJN-PXNSSMCTSA-N 0 3 380.488 3.024 20 30 GGEDHN N#CCCN(CCC#N)C(=O)CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177996906 1428922837 /nfs/dbraw/zinc/92/28/37/1428922837.db2.gz OEMPQJUIASYSHE-RTWAWAEBSA-N 0 3 382.508 3.011 20 30 GGEDHN N#CC(C(=O)Cc1csc(-c2cccs2)n1)C(=O)NCc1ccccc1 ZINC000126866357 1415589421 /nfs/dbraw/zinc/58/94/21/1415589421.db2.gz PIAZBEJUKJNAEE-HNNXBMFYSA-N 0 3 381.482 3.439 20 30 GGEDHN Cc1ccc(-c2nc(CC(=O)C(C#N)C(=O)NCc3ccccc3)cs2)o1 ZINC000126959286 1415618591 /nfs/dbraw/zinc/61/85/91/1415618591.db2.gz HEUJGACEDLMKAS-MRXNPFEDSA-N 0 3 379.441 3.279 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000127086549 1415657991 /nfs/dbraw/zinc/65/79/91/1415657991.db2.gz CMPVAJSQIJOCBE-AWEZNQCLSA-N 0 3 396.428 3.087 20 30 GGEDHN C=C(C)COc1cc(CNCc2ccc(CS(C)(=O)=O)cc2)ccc1OC ZINC000127283729 1415717529 /nfs/dbraw/zinc/71/75/29/1415717529.db2.gz UAHGOYVTYNARSH-UHFFFAOYSA-N 0 3 389.517 3.485 20 30 GGEDHN C[NH+](C)CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000127340811 1415744624 /nfs/dbraw/zinc/74/46/24/1415744624.db2.gz XBVFTDFIXBQXDI-UHFFFAOYSA-N 0 3 398.532 3.137 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000127601980 1415817454 /nfs/dbraw/zinc/81/74/54/1415817454.db2.gz IYBOKWXXKCCXMS-OAHLLOKOSA-N 0 3 380.429 3.387 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000127664786 1415829365 /nfs/dbraw/zinc/82/93/65/1415829365.db2.gz KQRNCQRYXJWZSZ-ZDUSSCGKSA-N 0 3 394.818 3.495 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000127673185 1415830320 /nfs/dbraw/zinc/83/03/20/1415830320.db2.gz OIGNGWMTBAZSHL-HNNXBMFYSA-N 0 3 394.818 3.495 20 30 GGEDHN Cc1ccc(-n2cnnc2SCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000128042942 1415899914 /nfs/dbraw/zinc/89/99/14/1415899914.db2.gz HEQYENNTAGGGHY-QGZVFWFLSA-N 0 3 391.456 3.015 20 30 GGEDHN N#CC(C(=O)CCCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1 ZINC000128218754 1415942261 /nfs/dbraw/zinc/94/22/61/1415942261.db2.gz YOUVRANSZFEUST-CQSZACIVSA-N 0 3 380.429 3.468 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000178257691 1429035110 /nfs/dbraw/zinc/03/51/10/1429035110.db2.gz HBJUMDXCCBYODN-KDURUIRLSA-N 0 3 383.536 3.229 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)COc2ccc3ccc(=O)oc3c2)cc1 ZINC000128480026 1415997005 /nfs/dbraw/zinc/99/70/05/1415997005.db2.gz VZWPBAXTIWETPF-SFHVURJKSA-N 0 3 390.395 3.082 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000128509467 1416002915 /nfs/dbraw/zinc/00/29/15/1416002915.db2.gz GRAPREWUGXPOKU-HKUYNNGSSA-N 0 3 389.455 3.488 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1 ZINC000128525868 1416006320 /nfs/dbraw/zinc/00/63/20/1416006320.db2.gz LRNGSPBDEYOICU-INIZCTEOSA-N 0 3 398.488 3.190 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ncc1Cl ZINC000128659960 1416035766 /nfs/dbraw/zinc/03/57/66/1416035766.db2.gz VMGXVIABMSVTSL-UHFFFAOYSA-N 0 3 377.275 3.464 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000128770993 1416064425 /nfs/dbraw/zinc/06/44/25/1416064425.db2.gz ZOYKSLKCKJSISY-KRWDZBQOSA-N 0 3 386.879 3.495 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cnn(-c2ccccc2)n1 ZINC000128783565 1416067928 /nfs/dbraw/zinc/06/79/28/1416067928.db2.gz YGGLAAJECSOEST-SFHVURJKSA-N 0 3 381.395 3.382 20 30 GGEDHN C[C@](C#N)(NC(=O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000128799269 1416071886 /nfs/dbraw/zinc/07/18/86/1416071886.db2.gz SSPUTOWADLPACV-JOCHJYFZSA-N 0 3 383.492 3.358 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000128976200 1416117312 /nfs/dbraw/zinc/11/73/12/1416117312.db2.gz RSFPJYDUHYAYGH-ZDUSSCGKSA-N 0 3 382.445 3.303 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000129036901 1416131142 /nfs/dbraw/zinc/13/11/42/1416131142.db2.gz QPXQNHUHEKRMHA-CQSZACIVSA-N 0 3 398.463 3.436 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)CC1 ZINC000178383795 1429066144 /nfs/dbraw/zinc/06/61/44/1429066144.db2.gz MBTNCBZQUIJEAW-LEWJYISDSA-N 0 3 379.508 3.061 20 30 GGEDHN C=CCOc1ccccc1CN(C(=O)[C@H](N)CC)c1ccc2c(c1)OCCO2 ZINC000129149677 1416156808 /nfs/dbraw/zinc/15/68/08/1416156808.db2.gz YBNAFJCAZZJJOY-GOSISDBHSA-N 0 3 382.460 3.293 20 30 GGEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000129467184 1416214056 /nfs/dbraw/zinc/21/40/56/1416214056.db2.gz ZQIVRAFNFLYOIK-QGZVFWFLSA-N 0 3 397.500 3.429 20 30 GGEDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000129467646 1416214238 /nfs/dbraw/zinc/21/42/38/1416214238.db2.gz KMRXQEIHQANZPY-GVDBMIGSSA-N 0 3 395.484 3.209 20 30 GGEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000129467375 1416214313 /nfs/dbraw/zinc/21/43/13/1416214313.db2.gz ZQIVRAFNFLYOIK-KRWDZBQOSA-N 0 3 397.500 3.429 20 30 GGEDHN C=CCNc1ncc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000129676550 1416247173 /nfs/dbraw/zinc/24/71/73/1416247173.db2.gz RABDUFUIIAWDSY-HOTGVXAUSA-N 0 3 392.569 3.093 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2C)c1C ZINC000129979234 1416294988 /nfs/dbraw/zinc/29/49/88/1416294988.db2.gz SAVPUQVYIHBFPC-MRXNPFEDSA-N 0 3 388.427 3.459 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000129976881 1416295190 /nfs/dbraw/zinc/29/51/90/1416295190.db2.gz UFLSFELQIHNGIA-GFCCVEGCSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000130004007 1416300948 /nfs/dbraw/zinc/30/09/48/1416300948.db2.gz JEJGPOSNVSYKEZ-AWEZNQCLSA-N 0 3 380.448 3.485 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccn(-c3ccccc3)n2)cc1Cl ZINC000130368667 1416365905 /nfs/dbraw/zinc/36/59/05/1416365905.db2.gz DDHPDNDSTYYVJH-HNNXBMFYSA-N 0 3 394.818 3.495 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccn(-c3ccccc3)n2)cc1Cl ZINC000130368849 1416366028 /nfs/dbraw/zinc/36/60/28/1416366028.db2.gz DDHPDNDSTYYVJH-OAHLLOKOSA-N 0 3 394.818 3.495 20 30 GGEDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000130662031 1416420172 /nfs/dbraw/zinc/42/01/72/1416420172.db2.gz VLWRWVUGPLZKLS-MRXNPFEDSA-N 0 3 385.537 3.404 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000178534482 1429099794 /nfs/dbraw/zinc/09/97/94/1429099794.db2.gz YBCWBKCCPOSWDV-UHFFFAOYSA-N 0 3 378.476 3.145 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000131324875 1416540476 /nfs/dbraw/zinc/54/04/76/1416540476.db2.gz JKHHZMKMPMKPAH-QZTJIDSGSA-N 0 3 397.498 3.149 20 30 GGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](Cc2nccn2C)C1 ZINC000131329143 1416540683 /nfs/dbraw/zinc/54/06/83/1416540683.db2.gz NVYPYWRRKCKPBV-ZWKOTPCHSA-N 0 3 386.565 3.339 20 30 GGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC000131580546 1416579017 /nfs/dbraw/zinc/57/90/17/1416579017.db2.gz BJMUCVYFEDTCHC-WOSRLPQWSA-N 0 3 385.493 3.157 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000131706848 1416601024 /nfs/dbraw/zinc/60/10/24/1416601024.db2.gz FRVSSZDIPRXANI-AWEZNQCLSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccccc2C(F)(F)F)cc1 ZINC000131794527 1416621903 /nfs/dbraw/zinc/62/19/03/1416621903.db2.gz CIEGZHZTGRJQOM-AWEZNQCLSA-N 0 3 392.333 3.440 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000131800366 1416624054 /nfs/dbraw/zinc/62/40/54/1416624054.db2.gz LQHOYCJBVZDSJG-AWEZNQCLSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000131817533 1416628035 /nfs/dbraw/zinc/62/80/35/1416628035.db2.gz QUTIPCOJEOWRAI-HNNXBMFYSA-N 0 3 384.436 3.046 20 30 GGEDHN Cc1c(NC(=O)C(C#N)C(=O)CCC2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000131873317 1416639401 /nfs/dbraw/zinc/63/94/01/1416639401.db2.gz IHRMIZIXPJVMPM-GOSISDBHSA-N 0 3 394.475 3.102 20 30 GGEDHN CCCCCCCC(=O)C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000131882020 1416641138 /nfs/dbraw/zinc/64/11/38/1416641138.db2.gz BSFTWVQUUZPCTB-SFHVURJKSA-N 0 3 396.491 3.492 20 30 GGEDHN CC(C)CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000178593235 1429115604 /nfs/dbraw/zinc/11/56/04/1429115604.db2.gz QCHQXPLFAQXMST-SFHVURJKSA-N 0 3 398.551 3.476 20 30 GGEDHN N#Cc1c(NC(=O)CCN[C@]2(CO)CCc3ccccc32)sc2c1CCCC2 ZINC000132226090 1416720309 /nfs/dbraw/zinc/72/03/09/1416720309.db2.gz FLJALTZOGGGYRO-QFIPXVFZSA-N 0 3 395.528 3.251 20 30 GGEDHN N#Cc1c(NC(=O)CCN[C@@]2(CO)CCc3ccccc32)sc2c1CCCC2 ZINC000132226279 1416720419 /nfs/dbraw/zinc/72/04/19/1416720419.db2.gz FLJALTZOGGGYRO-JOCHJYFZSA-N 0 3 395.528 3.251 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000132408822 1416754166 /nfs/dbraw/zinc/75/41/66/1416754166.db2.gz BZISEKZURYSTTJ-GOSISDBHSA-N 0 3 398.507 3.492 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000132409033 1416754369 /nfs/dbraw/zinc/75/43/69/1416754369.db2.gz BZISEKZURYSTTJ-SFHVURJKSA-N 0 3 398.507 3.492 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnc(-c2ccccc2)nc1C ZINC000132621586 1416794810 /nfs/dbraw/zinc/79/48/10/1416794810.db2.gz VUJVHIZKPYYEAU-MRXNPFEDSA-N 0 3 386.411 3.422 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(OC2CCC2)c1 ZINC000134218895 1417039814 /nfs/dbraw/zinc/03/98/14/1417039814.db2.gz RSMJGKIUSLZJQH-UHFFFAOYSA-N 0 3 378.476 3.089 20 30 GGEDHN CC(C)(CNC(=O)Cc1cccc(OCC#N)c1)N1CCc2ccccc2C1 ZINC000134456531 1417071273 /nfs/dbraw/zinc/07/12/73/1417071273.db2.gz NWZGSTZEVRYQDA-UHFFFAOYSA-N 0 3 377.488 3.085 20 30 GGEDHN CS[C@@H]1CCCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000134557950 1417087191 /nfs/dbraw/zinc/08/71/91/1417087191.db2.gz YQPZKMDXDLOHNJ-QGZVFWFLSA-N 0 3 384.467 3.391 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(C3CCCC3)no2)cc1 ZINC000134977054 1417155984 /nfs/dbraw/zinc/15/59/84/1417155984.db2.gz YZZXBPYDASPRPR-MRXNPFEDSA-N 0 3 382.420 3.016 20 30 GGEDHN N#Cc1c(NC(=O)CCN2CCS[C@H]3COCC[C@@H]32)sc2c1CCCC2 ZINC000135535050 1417234500 /nfs/dbraw/zinc/23/45/00/1417234500.db2.gz PDIGUDYXNPFHMF-RDJZCZTQSA-N 0 3 391.562 3.033 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000136682393 1417338464 /nfs/dbraw/zinc/33/84/64/1417338464.db2.gz AWQCDDDPUKIYGH-HNNXBMFYSA-N 0 3 394.456 3.427 20 30 GGEDHN N#CC(C(=O)CCc1cc(Br)ccc1F)C(=O)NC1CCCC1 ZINC000136883010 1417352822 /nfs/dbraw/zinc/35/28/22/1417352822.db2.gz SFIFIZJYYQAMFA-CQSZACIVSA-N 0 3 381.245 3.288 20 30 GGEDHN N#Cc1ccc(CC(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000178813849 1429179196 /nfs/dbraw/zinc/17/91/96/1429179196.db2.gz ZFBXTOXSDNUQQM-OAQYLSRUSA-N 0 3 385.471 3.383 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000137221137 1417375973 /nfs/dbraw/zinc/37/59/73/1417375973.db2.gz YGTFKSRMVIIXKE-GOSISDBHSA-N 0 3 384.395 3.295 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000137221137 1417375980 /nfs/dbraw/zinc/37/59/80/1417375980.db2.gz YGTFKSRMVIIXKE-GOSISDBHSA-N 0 3 384.395 3.295 20 30 GGEDHN Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000137225874 1417376167 /nfs/dbraw/zinc/37/61/67/1417376167.db2.gz JZBWGLPPVDJILW-HNNXBMFYSA-N 0 3 391.818 3.462 20 30 GGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000137225874 1417376175 /nfs/dbraw/zinc/37/61/75/1417376175.db2.gz JZBWGLPPVDJILW-HNNXBMFYSA-N 0 3 391.818 3.462 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000137221177 1417376327 /nfs/dbraw/zinc/37/63/27/1417376327.db2.gz YGTFKSRMVIIXKE-SFHVURJKSA-N 0 3 384.395 3.295 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000137221177 1417376332 /nfs/dbraw/zinc/37/63/32/1417376332.db2.gz YGTFKSRMVIIXKE-SFHVURJKSA-N 0 3 384.395 3.295 20 30 GGEDHN CCOc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc(OCC)c1OCC ZINC000138991128 1417444545 /nfs/dbraw/zinc/44/45/45/1417444545.db2.gz ZSRYTQINUVTKBI-HNNXBMFYSA-N 0 3 397.431 3.239 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC([C@H](O)C(F)(F)F)CC2)cc1Cl ZINC000141105972 1417526642 /nfs/dbraw/zinc/52/66/42/1417526642.db2.gz MKAOGMJQIJWQRQ-INIZCTEOSA-N 0 3 389.805 3.175 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000143186623 1417619355 /nfs/dbraw/zinc/61/93/55/1417619355.db2.gz JOLJWKWZPLTSJF-HXUWFJFHSA-N 0 3 393.487 3.207 20 30 GGEDHN CCCCCCCCc1nnc([N-]C(=O)c2cn(C3CC[NH2+]CC3)nn2)s1 ZINC000150697761 1417789252 /nfs/dbraw/zinc/78/92/52/1417789252.db2.gz JSYNWAOPRRYHLO-UHFFFAOYSA-N 0 3 391.545 3.209 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000151120503 1417876227 /nfs/dbraw/zinc/87/62/27/1417876227.db2.gz BVNKKHFGGUEVAC-PXNSSMCTSA-N 0 3 378.476 3.051 20 30 GGEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)[C@@H]2CCCN(C)C2)cc1C ZINC000151189148 1417890582 /nfs/dbraw/zinc/89/05/82/1417890582.db2.gz FFBCXMCORDJZHU-LJQANCHMSA-N 0 3 379.508 3.247 20 30 GGEDHN Cc1nn(C)c(C)c1OCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000151202394 1417893061 /nfs/dbraw/zinc/89/30/61/1417893061.db2.gz IXWOGCRLMKPVIK-AWEZNQCLSA-N 0 3 395.246 3.070 20 30 GGEDHN Cc1ccc([C@@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)N(C)C)cc1 ZINC000151326914 1417927021 /nfs/dbraw/zinc/92/70/21/1417927021.db2.gz MVXNQJSXHVMUSR-OAQYLSRUSA-N 0 3 392.503 3.395 20 30 GGEDHN COc1ccc(CN2CCC[C@H](C(=O)NCC3CC3)C2)cc1OCCCC#N ZINC000179344194 1429336296 /nfs/dbraw/zinc/33/62/96/1429336296.db2.gz UEJFXIHHIQZCJH-IBGZPJMESA-N 0 3 385.508 3.116 20 30 GGEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000179474781 1429387912 /nfs/dbraw/zinc/38/79/12/1429387912.db2.gz QIITXNPRUSPESI-CQSZACIVSA-N 0 3 375.413 3.331 20 30 GGEDHN Cc1ccccc1[C@@H](C)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000179665364 1429497883 /nfs/dbraw/zinc/49/78/83/1429497883.db2.gz UBQBIGLXGCQYBL-GCJKJVERSA-N 0 3 394.494 3.194 20 30 GGEDHN Cc1ccccc1[C@@H](C)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000179665447 1429497948 /nfs/dbraw/zinc/49/79/48/1429497948.db2.gz ZXARXRLFCJZURI-IEBWSBKVSA-N 0 3 382.533 3.116 20 30 GGEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CC2)CC1 ZINC000179698191 1429511355 /nfs/dbraw/zinc/51/13/55/1429511355.db2.gz NPSBRARTOHPWHS-KNQAVFIVSA-N 0 3 394.544 3.198 20 30 GGEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CC2)CC1 ZINC000179698180 1429511751 /nfs/dbraw/zinc/51/17/51/1429511751.db2.gz NPSBRARTOHPWHS-SIKLNZKXSA-N 0 3 394.544 3.198 20 30 GGEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753073 1429539806 /nfs/dbraw/zinc/53/98/06/1429539806.db2.gz XVXNFPBUTFZLAV-LHSJRXKWSA-N 0 3 377.444 3.397 20 30 GGEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753085 1429539924 /nfs/dbraw/zinc/53/99/24/1429539924.db2.gz XVXNFPBUTFZLAV-SPLOXXLWSA-N 0 3 377.444 3.397 20 30 GGEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762912 1429546612 /nfs/dbraw/zinc/54/66/12/1429546612.db2.gz OKCWNCNICGNFAG-SZNDQCEHSA-N 0 3 377.444 3.397 20 30 GGEDHN N#CC(C(=O)CN(Cc1ccccc1)c1ccccc1)C(=O)NC1CCCC1 ZINC000179799901 1429573222 /nfs/dbraw/zinc/57/32/22/1429573222.db2.gz JYRRTGKJVSUPNO-NRFANRHFSA-N 0 3 375.472 3.461 20 30 GGEDHN C=CCn1c(=S)n(CN2CCN(CC3CC3)CC2)nc1-c1cccs1 ZINC000153600975 1422641626 /nfs/dbraw/zinc/64/16/26/1422641626.db2.gz QPWLLULCGAUERE-UHFFFAOYSA-N 0 3 375.567 3.314 20 30 GGEDHN C=CCn1c(COc2ccccc2)nn(CN2CCN(CC3CC3)CC2)c1=S ZINC000153600842 1422642198 /nfs/dbraw/zinc/64/21/98/1422642198.db2.gz IKSSZQOMBFGJQX-UHFFFAOYSA-N 0 3 399.564 3.164 20 30 GGEDHN N#CC(C(=O)CN(Cc1ccccc1)c1ccccc1)C(=O)Nc1ccccn1 ZINC000179801979 1429575122 /nfs/dbraw/zinc/57/51/22/1429575122.db2.gz XHXUIXIVUWWBNE-HXUWFJFHSA-N 0 3 384.439 3.436 20 30 GGEDHN CC(C)CSCCCON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000154318138 1422872006 /nfs/dbraw/zinc/87/20/06/1422872006.db2.gz HNMYCLQQHQMYRZ-UHFFFAOYSA-N 0 3 379.570 3.060 20 30 GGEDHN COc1cccc2c1CC[C@H]2NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000154715627 1423010083 /nfs/dbraw/zinc/01/00/83/1423010083.db2.gz PYGLVYKNVPUMMY-OAQYLSRUSA-N 0 3 392.503 3.328 20 30 GGEDHN COc1ccc(C[C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000155117245 1423176408 /nfs/dbraw/zinc/17/64/08/1423176408.db2.gz WJGVUYKVYXFRKI-SFHVURJKSA-N 0 3 379.504 3.336 20 30 GGEDHN COc1ccc(OCCN(C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000179887352 1429625460 /nfs/dbraw/zinc/62/54/60/1429625460.db2.gz SWFCJUWMFUTIAZ-UHFFFAOYSA-N 0 3 376.460 3.478 20 30 GGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000155161789 1423204257 /nfs/dbraw/zinc/20/42/57/1423204257.db2.gz BSVHQSNXQHFIHL-FQEVSTJZSA-N 0 3 394.515 3.260 20 30 GGEDHN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cccc(CN(C)C)c2)C1=O ZINC000155517729 1423396344 /nfs/dbraw/zinc/39/63/44/1423396344.db2.gz ZYLKVFFHWKELCK-NRFANRHFSA-N 0 3 388.512 3.064 20 30 GGEDHN Cn1cc(CN2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179944545 1429655349 /nfs/dbraw/zinc/65/53/49/1429655349.db2.gz IKLXJSUSCDAWCO-UHFFFAOYSA-N 0 3 391.519 3.183 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CSCC(F)(F)F)cc1Cl ZINC000156094008 1423669395 /nfs/dbraw/zinc/66/93/95/1423669395.db2.gz VRTWEAKWTXAVFY-SECBINFHSA-N 0 3 380.775 3.291 20 30 GGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)C2CCC(CO)CC2)c1C#N ZINC000156270508 1423752060 /nfs/dbraw/zinc/75/20/60/1423752060.db2.gz GIMGDERJNUFRAT-UHFFFAOYSA-N 0 3 394.519 3.387 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncccc1C(F)(F)F ZINC000179977548 1429671348 /nfs/dbraw/zinc/67/13/48/1429671348.db2.gz DSIMZRBIROWKQY-UHFFFAOYSA-N 0 3 376.382 3.176 20 30 GGEDHN CN(C)Cc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000156349175 1423791934 /nfs/dbraw/zinc/79/19/34/1423791934.db2.gz VSTOLIRVPXEIKA-LJQANCHMSA-N 0 3 380.467 3.158 20 30 GGEDHN Cn1cc(CN2CCCN(c3nccs3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179984624 1429674758 /nfs/dbraw/zinc/67/47/58/1429674758.db2.gz QHRKLXQODKTNIS-UHFFFAOYSA-N 0 3 378.505 3.128 20 30 GGEDHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156643456 1423839897 /nfs/dbraw/zinc/83/98/97/1423839897.db2.gz YGJYUCYCMJPBPB-UHFFFAOYSA-N 0 3 389.443 3.118 20 30 GGEDHN N#Cc1cccc(OCCCN2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000156668248 1423844613 /nfs/dbraw/zinc/84/46/13/1423844613.db2.gz BMKRWSQFABAIRH-UHFFFAOYSA-N 0 3 391.515 3.494 20 30 GGEDHN COCCN1CCC(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000157197139 1423952940 /nfs/dbraw/zinc/95/29/40/1423952940.db2.gz SDXVNFHJJWAEER-UHFFFAOYSA-N 0 3 378.476 3.142 20 30 GGEDHN Fc1ccc(C#CCN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157320893 1423984007 /nfs/dbraw/zinc/98/40/07/1423984007.db2.gz YHABEIQFQXWWIV-JOCHJYFZSA-N 0 3 392.522 3.106 20 30 GGEDHN CCCC(=O)NC[C@@H]1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180017356 1429694687 /nfs/dbraw/zinc/69/46/87/1429694687.db2.gz CQFQLRVRPADQJM-SFHVURJKSA-N 0 3 379.508 3.087 20 30 GGEDHN COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000158051506 1424149986 /nfs/dbraw/zinc/14/99/86/1424149986.db2.gz JNOYTIRYCKTDRE-IBGZPJMESA-N 0 3 382.460 3.332 20 30 GGEDHN COc1cc(C#N)ccc1OCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000158051506 1424149992 /nfs/dbraw/zinc/14/99/92/1424149992.db2.gz JNOYTIRYCKTDRE-IBGZPJMESA-N 0 3 382.460 3.332 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC000158187148 1424189123 /nfs/dbraw/zinc/18/91/23/1424189123.db2.gz XXHZKRHAYCDARI-FUHWJXTLSA-N 0 3 394.560 3.114 20 30 GGEDHN C=CCC[C@@H](NCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)c1ccccc1 ZINC000180040842 1429709134 /nfs/dbraw/zinc/70/91/34/1429709134.db2.gz MTEAVHIZVAWSOQ-GOSISDBHSA-N 0 3 380.448 3.409 20 30 GGEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)N2CCCC2)CC1)c1ccccc1 ZINC000180041742 1429710018 /nfs/dbraw/zinc/71/00/18/1429710018.db2.gz GXDSKFVPOBRRHJ-OAQYLSRUSA-N 0 3 383.536 3.145 20 30 GGEDHN C=CCC[C@H](NCC(=O)Nc1cc(-n2nnnc2C)ccc1F)c1ccccc1 ZINC000180049355 1429713607 /nfs/dbraw/zinc/71/36/07/1429713607.db2.gz WJRGOKSKIYLEDL-IBGZPJMESA-N 0 3 394.454 3.345 20 30 GGEDHN CC(C)(C)C(=O)N1CCC(CN2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000158591003 1424297793 /nfs/dbraw/zinc/29/77/93/1424297793.db2.gz KRIZEOZVBHCMOG-UHFFFAOYSA-N 0 3 386.515 3.104 20 30 GGEDHN CC(C)CCn1cc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)nn1 ZINC000158726235 1424328175 /nfs/dbraw/zinc/32/81/75/1424328175.db2.gz LNUWSVWJCWFYGI-QGZVFWFLSA-N 0 3 375.432 3.439 20 30 GGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000180080175 1429728004 /nfs/dbraw/zinc/72/80/04/1429728004.db2.gz YUUFGBZKWWPQIB-QGZVFWFLSA-N 0 3 391.475 3.445 20 30 GGEDHN Cc1nn(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1Cl ZINC000159787218 1424536290 /nfs/dbraw/zinc/53/62/90/1424536290.db2.gz BXXWSEOKLKJKLE-NSHDSACASA-N 0 3 383.210 3.293 20 30 GGEDHN Cc1nn(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1Cl ZINC000159787089 1424536853 /nfs/dbraw/zinc/53/68/53/1424536853.db2.gz BXXWSEOKLKJKLE-LLVKDONJSA-N 0 3 383.210 3.293 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cn2nc(C)c(Cl)c2C)cc1Cl ZINC000159789223 1424537064 /nfs/dbraw/zinc/53/70/64/1424537064.db2.gz PYJBURAKXJGKCJ-GFCCVEGCSA-N 0 3 395.246 3.163 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2c(C)noc2C)cc1Cl ZINC000159788959 1424537134 /nfs/dbraw/zinc/53/71/34/1424537134.db2.gz CEUUWLBKUHTSBD-RNCFNFMXSA-N 0 3 375.812 3.405 20 30 GGEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000160001279 1424561427 /nfs/dbraw/zinc/56/14/27/1424561427.db2.gz IDIVINUULRZONI-XLIONFOSSA-N 0 3 383.517 3.232 20 30 GGEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000160007209 1424561755 /nfs/dbraw/zinc/56/17/55/1424561755.db2.gz FJHZTIKGNISUKN-AVRDEDQJSA-N 0 3 397.544 3.373 20 30 GGEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000160007075 1424562082 /nfs/dbraw/zinc/56/20/82/1424562082.db2.gz FJHZTIKGNISUKN-GCJKJVERSA-N 0 3 397.544 3.373 20 30 GGEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000160000998 1424562176 /nfs/dbraw/zinc/56/21/76/1424562176.db2.gz IDIVINUULRZONI-YLJYHZDGSA-N 0 3 383.517 3.232 20 30 GGEDHN C=CCOc1ccc(-c2nn(CN3CC[C@H](N4CC=CC4)C3)c(=S)o2)cc1 ZINC000161338020 1424677915 /nfs/dbraw/zinc/67/79/15/1424677915.db2.gz KUMFDKSTGQUXMX-KRWDZBQOSA-N 0 3 384.505 3.341 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncccc1C(F)(F)F ZINC000180122866 1429746725 /nfs/dbraw/zinc/74/67/25/1429746725.db2.gz YJDUFUBXERSRAW-UHFFFAOYSA-N 0 3 376.382 3.176 20 30 GGEDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000161827492 1424774307 /nfs/dbraw/zinc/77/43/07/1424774307.db2.gz FHCBEBZGWZLZDC-UHFFFAOYSA-N 0 3 381.436 3.371 20 30 GGEDHN C[C@@H](Cc1ccc(Br)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000161970542 1424804487 /nfs/dbraw/zinc/80/44/87/1424804487.db2.gz ZXEZKQFJJNWYPT-BLLLJJGKSA-N 0 3 377.282 3.395 20 30 GGEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2OCCN2CCOCC2)cc1 ZINC000162021982 1424809660 /nfs/dbraw/zinc/80/96/60/1424809660.db2.gz DOSMALMFZLEMBD-HXUWFJFHSA-N 0 3 394.515 3.260 20 30 GGEDHN C#CCN1CCC(C(=O)NCCc2cccc(OCc3ccccc3)c2)CC1 ZINC000162558120 1424866031 /nfs/dbraw/zinc/86/60/31/1424866031.db2.gz OXRORVLPWYOSEB-UHFFFAOYSA-N 0 3 376.500 3.270 20 30 GGEDHN CC(=O)Nc1ccc(F)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000162798044 1424891321 /nfs/dbraw/zinc/89/13/21/1424891321.db2.gz YEPIUEIOJCTMQT-UHFFFAOYSA-N 0 3 397.454 3.251 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000170673213 1425290403 /nfs/dbraw/zinc/29/04/03/1425290403.db2.gz OFYQHCAPFMRHDU-MRXNPFEDSA-N 0 3 385.489 3.017 20 30 GGEDHN COc1cccc([C@@H]2C[C@H]2C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000170944224 1425403453 /nfs/dbraw/zinc/40/34/53/1425403453.db2.gz XQHJESIYVDEQLV-FCHUYYIVSA-N 0 3 377.488 3.261 20 30 GGEDHN N#CC(C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccccn1 ZINC000171367496 1425643244 /nfs/dbraw/zinc/64/32/44/1425643244.db2.gz YYUBJNYMDDMMFM-ZDUSSCGKSA-N 0 3 377.322 3.260 20 30 GGEDHN N#CC(C(=O)CCc1ccccc1OC(F)(F)F)C(=O)Nc1ccccn1 ZINC000171367494 1425643573 /nfs/dbraw/zinc/64/35/73/1425643573.db2.gz YYUBJNYMDDMMFM-CYBMUJFWSA-N 0 3 377.322 3.260 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000171477503 1425698632 /nfs/dbraw/zinc/69/86/32/1425698632.db2.gz LHTDXIODZPQIFM-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000171557329 1425733869 /nfs/dbraw/zinc/73/38/69/1425733869.db2.gz FEQGVYKGBUVHEF-MRXNPFEDSA-N 0 3 386.496 3.044 20 30 GGEDHN N#CC(C(=O)c1cccc2c1OCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000171567391 1425738911 /nfs/dbraw/zinc/73/89/11/1425738911.db2.gz KRWCLPPCDAKQQG-LLVKDONJSA-N 0 3 382.326 3.252 20 30 GGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585100 1425745182 /nfs/dbraw/zinc/74/51/82/1425745182.db2.gz PCIBXSAWOLYHRC-SJORKVTESA-N 0 3 381.561 3.425 20 30 GGEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585115 1425745346 /nfs/dbraw/zinc/74/53/46/1425745346.db2.gz PCIBXSAWOLYHRC-IRXDYDNUSA-N 0 3 381.561 3.425 20 30 GGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585095 1425745410 /nfs/dbraw/zinc/74/54/10/1425745410.db2.gz PCIBXSAWOLYHRC-IAGOWNOFSA-N 0 3 381.561 3.425 20 30 GGEDHN CN(CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000171591492 1425751848 /nfs/dbraw/zinc/75/18/48/1425751848.db2.gz UFOPJZZOXZWUCI-UHFFFAOYSA-N 0 3 392.503 3.243 20 30 GGEDHN CCN(CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1cnn(C)c1 ZINC000171655420 1425776947 /nfs/dbraw/zinc/77/69/47/1425776947.db2.gz ZJLYVDGUPLJQFA-CQSZACIVSA-N 0 3 385.537 3.329 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000171679954 1425787139 /nfs/dbraw/zinc/78/71/39/1425787139.db2.gz MPVWVEIBQACUTH-IYBDPMFKSA-N 0 3 390.503 3.211 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(Oc3ccc(OC)cc3)c2)CC1 ZINC000171710081 1425799726 /nfs/dbraw/zinc/79/97/26/1425799726.db2.gz KPSXOPIZPSNQJW-UHFFFAOYSA-N 0 3 396.491 3.332 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)CC1 ZINC000171715499 1425800951 /nfs/dbraw/zinc/80/09/51/1425800951.db2.gz XFMVPOMVMMDVND-UHFFFAOYSA-N 0 3 375.476 3.109 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000171714872 1425801044 /nfs/dbraw/zinc/80/10/44/1425801044.db2.gz NWKUXFJAATUGGR-ZDUSSCGKSA-N 0 3 396.318 3.113 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000171714672 1425801117 /nfs/dbraw/zinc/80/11/17/1425801117.db2.gz JCKPKIYZVGVPKF-IBGZPJMESA-N 0 3 391.924 3.035 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000171714831 1425801167 /nfs/dbraw/zinc/80/11/67/1425801167.db2.gz ILMVABFBMRPGBJ-OAHLLOKOSA-N 0 3 385.487 3.330 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3C)CC1 ZINC000171720115 1425802793 /nfs/dbraw/zinc/80/27/93/1425802793.db2.gz AEIHGMKIBLLXPL-UHFFFAOYSA-N 0 3 389.503 3.324 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000171721609 1425803441 /nfs/dbraw/zinc/80/34/41/1425803441.db2.gz XEPQKCRVSMEVGC-JOCHJYFZSA-N 0 3 391.515 3.314 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000171725140 1425803985 /nfs/dbraw/zinc/80/39/85/1425803985.db2.gz JWTRUKIQHBJDDP-UHFFFAOYSA-N 0 3 384.455 3.463 20 30 GGEDHN C=CCN1CCC(NC(=O)COc2ccc(OCc3ccccc3)cc2)CC1 ZINC000171725751 1425804552 /nfs/dbraw/zinc/80/45/52/1425804552.db2.gz CVOUUUACNGXICS-UHFFFAOYSA-N 0 3 380.488 3.411 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)CC1 ZINC000171725971 1425804637 /nfs/dbraw/zinc/80/46/37/1425804637.db2.gz QCUVBMYORGXOBL-UHFFFAOYSA-N 0 3 392.912 3.249 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c3ccccc3nc3c2CN(CC)CC3)CC1 ZINC000171729383 1425805141 /nfs/dbraw/zinc/80/51/41/1425805141.db2.gz NXEJEUZUQBTUFG-UHFFFAOYSA-N 0 3 392.547 3.383 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000171728808 1425805338 /nfs/dbraw/zinc/80/53/38/1425805338.db2.gz WSSCOFKMKZRJKU-UHFFFAOYSA-N 0 3 389.503 3.475 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000171736637 1425806817 /nfs/dbraw/zinc/80/68/17/1425806817.db2.gz KRSVQWAIQNJYCL-UHFFFAOYSA-N 0 3 396.457 3.187 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OC)c(OCC(F)(F)F)c2)CC1 ZINC000171738229 1425807658 /nfs/dbraw/zinc/80/76/58/1425807658.db2.gz JWHXRZVDVAARMF-UHFFFAOYSA-N 0 3 387.402 3.408 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000171740318 1425808532 /nfs/dbraw/zinc/80/85/32/1425808532.db2.gz OOPPLJHAMXOPET-UHFFFAOYSA-N 0 3 391.537 3.175 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3cc(OCC)c(OCC)cc3C2)CC1 ZINC000171740485 1425808736 /nfs/dbraw/zinc/80/87/36/1425808736.db2.gz QEMHLSVSDODPEY-UHFFFAOYSA-N 0 3 387.524 3.202 20 30 GGEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000171907771 1425848782 /nfs/dbraw/zinc/84/87/82/1425848782.db2.gz UZUMNUPXJJNJGI-DNVCBOLYSA-N 0 3 377.916 3.462 20 30 GGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@H]2C)CC1 ZINC000171907769 1425848977 /nfs/dbraw/zinc/84/89/77/1425848977.db2.gz UZUMNUPXJJNJGI-BEFAXECRSA-N 0 3 377.916 3.462 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000172074884 1425890215 /nfs/dbraw/zinc/89/02/15/1425890215.db2.gz HXTJQBSBHWYQLI-JOCHJYFZSA-N 0 3 377.488 3.153 20 30 GGEDHN N#CCCn1cc(CNCc2ccc(Cn3cncn3)cc2)c(-c2ccccc2)n1 ZINC000172113179 1425899814 /nfs/dbraw/zinc/89/98/14/1425899814.db2.gz NTNAFODJACXXKN-UHFFFAOYSA-N 0 3 397.486 3.393 20 30 GGEDHN C#CCCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000172114164 1425899830 /nfs/dbraw/zinc/89/98/30/1425899830.db2.gz YUGDZXHXOMGOPW-UHFFFAOYSA-N 0 3 398.528 3.163 20 30 GGEDHN Cc1nc(-c2cnn(C)c2)sc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172185969 1425938402 /nfs/dbraw/zinc/93/84/02/1425938402.db2.gz AARVYVSGLAYREN-AWEZNQCLSA-N 0 3 399.863 3.467 20 30 GGEDHN N#CCOc1ccc(CNC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000172202572 1425945461 /nfs/dbraw/zinc/94/54/61/1425945461.db2.gz XYXJFNUYWOKVLB-FQEVSTJZSA-N 0 3 378.476 3.053 20 30 GGEDHN Cc1nc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)ccc1C#N ZINC000172401692 1426027359 /nfs/dbraw/zinc/02/73/59/1426027359.db2.gz QJLPEWAPYFFYRX-UHFFFAOYSA-N 0 3 398.894 3.188 20 30 GGEDHN N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172462194 1426050145 /nfs/dbraw/zinc/05/01/45/1426050145.db2.gz CDNMSKSCMCYCTA-UHFFFAOYSA-N 0 3 389.499 3.410 20 30 GGEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000172668788 1426136292 /nfs/dbraw/zinc/13/62/92/1426136292.db2.gz QWYPPLCQNSAOBA-HZPDHXFCSA-N 0 3 382.464 3.472 20 30 GGEDHN Cc1cc(C#N)ccc1S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000172674250 1426137628 /nfs/dbraw/zinc/13/76/28/1426137628.db2.gz XQGDBBJIYRROBL-UHFFFAOYSA-N 0 3 389.546 3.119 20 30 GGEDHN CN(C(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1)[C@@H]1CCCN(C)C1 ZINC000172718859 1426158536 /nfs/dbraw/zinc/15/85/36/1426158536.db2.gz CSZBKTRUAAHIQJ-OAQYLSRUSA-N 0 3 390.487 3.171 20 30 GGEDHN C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H](N3CC=CC3)C2)c1=S ZINC000172933579 1426271393 /nfs/dbraw/zinc/27/13/93/1426271393.db2.gz LHIMHVAOYVUOAB-MRXNPFEDSA-N 0 3 385.512 3.310 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000173101620 1426342111 /nfs/dbraw/zinc/34/21/11/1426342111.db2.gz DZUWWJYOPOHYRJ-UHFFFAOYSA-N 0 3 385.386 3.178 20 30 GGEDHN C[C@H](CNC(=O)Nc1ccccc1S[C@H](C)CC#N)CN1CCN(C)CC1 ZINC000173121944 1426351743 /nfs/dbraw/zinc/35/17/43/1426351743.db2.gz OXZNOJZVJASGAN-IAGOWNOFSA-N 0 3 389.569 3.086 20 30 GGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000173121958 1426351931 /nfs/dbraw/zinc/35/19/31/1426351931.db2.gz OXZNOJZVJASGAN-DLBZAZTESA-N 0 3 389.569 3.086 20 30 GGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccccc1C#N ZINC000173223361 1426406528 /nfs/dbraw/zinc/40/65/28/1426406528.db2.gz NPOYDSYAXMYBPD-LJQANCHMSA-N 0 3 383.517 3.091 20 30 GGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000173224210 1426409081 /nfs/dbraw/zinc/40/90/81/1426409081.db2.gz YUOPOOLBYKVQBU-NRFANRHFSA-N 0 3 397.544 3.399 20 30 GGEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000173261597 1426439976 /nfs/dbraw/zinc/43/99/76/1426439976.db2.gz LHNYULFIKRBRLU-QGZVFWFLSA-N 0 3 398.482 3.238 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)CC1 ZINC000173272431 1426450951 /nfs/dbraw/zinc/45/09/51/1426450951.db2.gz QKHDBEZVDQLDAL-UHFFFAOYSA-N 0 3 399.535 3.241 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(F)ccc2Oc2ccccc2)CC1 ZINC000173272415 1426451548 /nfs/dbraw/zinc/45/15/48/1426451548.db2.gz KDCXZCMFDCJBTF-UHFFFAOYSA-N 0 3 397.450 3.323 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(F)c3)cc2)CC1 ZINC000173275399 1426454036 /nfs/dbraw/zinc/45/40/36/1426454036.db2.gz MOZXZEKHCBNDIA-UHFFFAOYSA-N 0 3 397.450 3.323 20 30 GGEDHN COc1cccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)N2CCCC2)c1 ZINC000173426266 1426608044 /nfs/dbraw/zinc/60/80/44/1426608044.db2.gz KNPSNBQXYSAPOM-NRFANRHFSA-N 0 3 396.466 3.342 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173699604 1426824591 /nfs/dbraw/zinc/82/45/91/1426824591.db2.gz KJYGWKURWCBGEO-FQEVSTJZSA-N 0 3 393.487 3.069 20 30 GGEDHN CN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000173704526 1426826740 /nfs/dbraw/zinc/82/67/40/1426826740.db2.gz FGSNMGVHLWNCCK-NRFANRHFSA-N 0 3 377.488 3.254 20 30 GGEDHN CC(C)c1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1F ZINC000173965326 1426913857 /nfs/dbraw/zinc/91/38/57/1426913857.db2.gz HQIWRMALCKZQDM-OAHLLOKOSA-N 0 3 391.406 3.491 20 30 GGEDHN C[C@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000173974359 1426918756 /nfs/dbraw/zinc/91/87/56/1426918756.db2.gz SWCBXDALWWYHGG-SFHVURJKSA-N 0 3 392.503 3.070 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)CCc2ccccc2F)cc1 ZINC000173995303 1426932376 /nfs/dbraw/zinc/93/23/76/1426932376.db2.gz FSHLJGSFOCDWBR-OXJNMPFZSA-N 0 3 396.462 3.471 20 30 GGEDHN CC(C)CC(=O)Nc1ccc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1F ZINC000174011404 1426942249 /nfs/dbraw/zinc/94/22/49/1426942249.db2.gz OPZVNGZWSMUFBB-AWEZNQCLSA-N 0 3 382.395 3.166 20 30 GGEDHN CN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174235167 1427062974 /nfs/dbraw/zinc/06/29/74/1427062974.db2.gz RRBPKZXAUKRYGJ-NRFANRHFSA-N 0 3 392.503 3.395 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000174401139 1427140408 /nfs/dbraw/zinc/14/04/08/1427140408.db2.gz YANATOAVGWTUCY-LEWJYISDSA-N 0 3 394.523 3.012 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000174401102 1427140783 /nfs/dbraw/zinc/14/07/83/1427140783.db2.gz YANATOAVGWTUCY-RTWAWAEBSA-N 0 3 394.523 3.012 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1 ZINC000174770493 1427357938 /nfs/dbraw/zinc/35/79/38/1427357938.db2.gz LQTFOQVFZPQJTL-UHFFFAOYSA-N 0 3 396.576 3.410 20 30 GGEDHN C[C@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)CN1CCN(C)CC1 ZINC000174787067 1427367681 /nfs/dbraw/zinc/36/76/81/1427367681.db2.gz VZMHLWIRLODFOZ-HXUWFJFHSA-N 0 3 390.531 3.091 20 30 GGEDHN CCN1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840956 1427399091 /nfs/dbraw/zinc/39/90/91/1427399091.db2.gz VPGSFJZDMQFLHH-FQEVSTJZSA-N 0 3 382.895 3.477 20 30 GGEDHN CN(C)Cc1cccc(NC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000174870269 1427419759 /nfs/dbraw/zinc/41/97/59/1427419759.db2.gz NHQULVHCLQRTTD-UHFFFAOYSA-N 0 3 393.491 3.225 20 30 GGEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175170091 1427579996 /nfs/dbraw/zinc/57/99/96/1427579996.db2.gz WZOMRYUURONCBM-HXUWFJFHSA-N 0 3 390.487 3.171 20 30 GGEDHN N#CCc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000175315933 1427671807 /nfs/dbraw/zinc/67/18/07/1427671807.db2.gz UZJRVVCVFMQPJG-UHFFFAOYSA-N 0 3 378.476 3.031 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000175511293 1427798055 /nfs/dbraw/zinc/79/80/55/1427798055.db2.gz ICGZJPVFNVMNQN-QFIPXVFZSA-N 0 3 385.552 3.460 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000175513154 1427799866 /nfs/dbraw/zinc/79/98/66/1427799866.db2.gz KIMGFFFVSGUNND-ZDUSSCGKSA-N 0 3 389.887 3.401 20 30 GGEDHN C=CCN1CCC(NC(=O)CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000175588172 1427823466 /nfs/dbraw/zinc/82/34/66/1427823466.db2.gz DAZWIEAHWQIESR-JLYLLQBASA-N 0 3 391.556 3.321 20 30 GGEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000176101304 1428082866 /nfs/dbraw/zinc/08/28/66/1428082866.db2.gz WDTLKAGBLDLNOC-QGZVFWFLSA-N 0 3 398.482 3.238 20 30 GGEDHN NC(=NOCCCc1cccc(F)c1)c1ccccc1CN1CCC(O)CC1 ZINC000180374514 1429849778 /nfs/dbraw/zinc/84/97/78/1429849778.db2.gz OQRDVFSYJPOUGM-UHFFFAOYSA-N 0 3 385.483 3.052 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538686 1429893270 /nfs/dbraw/zinc/89/32/70/1429893270.db2.gz IOWZYTHBUAKQDW-QZTJIDSGSA-N 0 3 381.879 3.259 20 30 GGEDHN Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN[C@H](CO)C(C)(C)C)c1C#N ZINC000180635796 1429946828 /nfs/dbraw/zinc/94/68/28/1429946828.db2.gz RMDZTXFZKPWXLG-GOSISDBHSA-N 0 3 386.471 3.040 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716616 1429997118 /nfs/dbraw/zinc/99/71/18/1429997118.db2.gz GRPOKMFFDWFEAZ-OALUTQOASA-N 0 3 379.451 3.135 20 30 GGEDHN CC[C@H](C#N)Oc1cc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180811007 1430053756 /nfs/dbraw/zinc/05/37/56/1430053756.db2.gz MCOXJXGSQLSVIH-DNVCBOLYSA-N 0 3 392.463 3.203 20 30 GGEDHN Cc1c([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000180869317 1430078793 /nfs/dbraw/zinc/07/87/93/1430078793.db2.gz OGOUNFBROFFSPR-YSGBTYPNSA-N 0 3 399.882 3.011 20 30 GGEDHN C#CCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921905 1430116513 /nfs/dbraw/zinc/11/65/13/1430116513.db2.gz DZJPIIKTIVODGK-VGSWGCGISA-N 0 3 378.472 3.159 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181034534 1430178744 /nfs/dbraw/zinc/17/87/44/1430178744.db2.gz PSEUKPILNFAVQY-INIZCTEOSA-N 0 3 394.922 3.398 20 30 GGEDHN COc1cccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3cccc(C#N)c3)c21 ZINC000181106063 1430212517 /nfs/dbraw/zinc/21/25/17/1430212517.db2.gz KFHMIYYHRQGQNI-UHFFFAOYSA-N 0 3 390.487 3.181 20 30 GGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175289 1430238154 /nfs/dbraw/zinc/23/81/54/1430238154.db2.gz YIYJPGGYPDFJQF-MAUKXSAKSA-N 0 3 388.899 3.398 20 30 GGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186553 1430241777 /nfs/dbraw/zinc/24/17/77/1430241777.db2.gz PZBDFIYHGHIRSQ-MAUKXSAKSA-N 0 3 388.899 3.316 20 30 GGEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000181410102 1430290793 /nfs/dbraw/zinc/29/07/93/1430290793.db2.gz LKOXOIBBTCMKLF-SFTDATJTSA-N 0 3 399.583 3.370 20 30 GGEDHN COCCN1CCC(NC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181461814 1430304787 /nfs/dbraw/zinc/30/47/87/1430304787.db2.gz CLTUCVSVNKNHHZ-UHFFFAOYSA-N 0 3 379.460 3.191 20 30 GGEDHN C[C@@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181538731 1430317487 /nfs/dbraw/zinc/31/74/87/1430317487.db2.gz PDHSEIKHDZBEOQ-GOSISDBHSA-N 0 3 392.503 3.070 20 30 GGEDHN C[C@H](NCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(OCC#N)cc1 ZINC000181602050 1430326186 /nfs/dbraw/zinc/32/61/86/1430326186.db2.gz RCVUAWJCYDGREA-KRWDZBQOSA-N 0 3 399.516 3.224 20 30 GGEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)Nc1ccc(C#N)cc1 ZINC000181665228 1430338066 /nfs/dbraw/zinc/33/80/66/1430338066.db2.gz JQKCGIYQGXSQKL-UHFFFAOYSA-N 0 3 392.381 3.358 20 30 GGEDHN CCN1CCN([C@H](C)CNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181804771 1430364191 /nfs/dbraw/zinc/36/41/91/1430364191.db2.gz PHCNSPVJCQZVHZ-GOSISDBHSA-N 0 3 392.503 3.106 20 30 GGEDHN COC(=O)NCc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181961677 1430389170 /nfs/dbraw/zinc/38/91/70/1430389170.db2.gz UCYMSHATQWSARB-UHFFFAOYSA-N 0 3 378.476 3.491 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@@H](C)CN(C)Cc2ccccc2)ccc1OCC#N ZINC000182073223 1430406341 /nfs/dbraw/zinc/40/63/41/1430406341.db2.gz RDWQGQFJKAICAY-KSEUIEODSA-N 0 3 393.487 3.247 20 30 GGEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCCO1 ZINC000182336204 1430450237 /nfs/dbraw/zinc/45/02/37/1430450237.db2.gz MILOYUNSLGNLBJ-WOJBJXKFSA-N 0 3 380.492 3.452 20 30 GGEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCCO1 ZINC000182352655 1430452497 /nfs/dbraw/zinc/45/24/97/1430452497.db2.gz DHTKTPWAJRCYRV-RBUKOAKNSA-N 0 3 384.480 3.104 20 30 GGEDHN C[C@@H](NCCC(=O)N(C)CCC#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000182566602 1430493748 /nfs/dbraw/zinc/49/37/48/1430493748.db2.gz QNJUREPGLHRBDZ-QGZVFWFLSA-N 0 3 378.476 3.352 20 30 GGEDHN CC[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594532 1430499380 /nfs/dbraw/zinc/49/93/80/1430499380.db2.gz QFGWGEUYRSSZQA-RTBURBONSA-N 0 3 376.932 3.073 20 30 GGEDHN CCS(=O)(=O)Nc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000182775302 1430537772 /nfs/dbraw/zinc/53/77/72/1430537772.db2.gz HXGQVANSCFSPEW-UHFFFAOYSA-N 0 3 398.532 3.396 20 30 GGEDHN COc1ccc(C(=O)N(C)C)cc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182907914 1430568433 /nfs/dbraw/zinc/56/84/33/1430568433.db2.gz XXLRRQFVCXSWHI-UHFFFAOYSA-N 0 3 392.503 3.345 20 30 GGEDHN Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1NS(C)(=O)=O ZINC000182941214 1430576675 /nfs/dbraw/zinc/57/66/75/1430576675.db2.gz ITHMRJDDIIORMZ-UHFFFAOYSA-N 0 3 398.532 3.315 20 30 GGEDHN CCNC(=O)COc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000183051113 1430600542 /nfs/dbraw/zinc/60/05/42/1430600542.db2.gz LJVAROKTGRDKME-UHFFFAOYSA-N 0 3 392.503 3.150 20 30 GGEDHN CC[C@@H](C)Oc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000183065649 1430603272 /nfs/dbraw/zinc/60/32/72/1430603272.db2.gz ZSCPJVXZSNDKLM-QGZVFWFLSA-N 0 3 380.492 3.335 20 30 GGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000183456496 1430716139 /nfs/dbraw/zinc/71/61/39/1430716139.db2.gz OEIDIAOCIVNUCY-FQEVSTJZSA-N 0 3 398.482 3.117 20 30 GGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184299574 1430870593 /nfs/dbraw/zinc/87/05/93/1430870593.db2.gz OVXQHLVASWLVQN-HNNXBMFYSA-N 0 3 399.457 3.026 20 30 GGEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000184321566 1430873051 /nfs/dbraw/zinc/87/30/51/1430873051.db2.gz HNSUYOJEJFQHDW-DLBZAZTESA-N 0 3 389.569 3.086 20 30 GGEDHN C#CCNC(=O)c1ccc(NC[C@H](c2cccc(C(F)(F)F)c2)N(C)C)nc1 ZINC000184351119 1430876467 /nfs/dbraw/zinc/87/64/67/1430876467.db2.gz DGHJDBOMDCWFLC-QGZVFWFLSA-N 0 3 390.409 3.178 20 30 GGEDHN CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184610944 1430918962 /nfs/dbraw/zinc/91/89/62/1430918962.db2.gz WAHFJEWJETZLIT-NRFANRHFSA-N 0 3 392.503 3.395 20 30 GGEDHN CCCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)Cc1ccc(C#N)cc1 ZINC000184946418 1431027750 /nfs/dbraw/zinc/02/77/50/1431027750.db2.gz QKZMCRIFNDJDCF-JOCHJYFZSA-N 0 3 378.520 3.189 20 30 GGEDHN Cc1cn(-c2ccccc2)nc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000185201944 1431083661 /nfs/dbraw/zinc/08/36/61/1431083661.db2.gz IWWUIRHOYCBMHV-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN Cc1cccc(NC(=O)C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)c1C#N ZINC000185592800 1431178924 /nfs/dbraw/zinc/17/89/24/1431178924.db2.gz PZYLSCXXSCKHMY-OAQYLSRUSA-N 0 3 392.503 3.078 20 30 GGEDHN C=C(C)[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829285 1431245514 /nfs/dbraw/zinc/24/55/14/1431245514.db2.gz DQMUFRASZWPDAO-APWZRJJASA-N 0 3 381.467 3.334 20 30 GGEDHN Cc1cn(-c2ccccc2)nc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000185848486 1431250835 /nfs/dbraw/zinc/25/08/35/1431250835.db2.gz ZUIHKAOVGPTWBZ-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000186039249 1431317276 /nfs/dbraw/zinc/31/72/76/1431317276.db2.gz FQLKMRXLPQKFBC-KRWDZBQOSA-N 0 3 384.501 3.089 20 30 GGEDHN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCOc1ccccc1C#N ZINC000186303876 1431376419 /nfs/dbraw/zinc/37/64/19/1431376419.db2.gz LOKLBSFVFRPTCT-QGZVFWFLSA-N 0 3 399.516 3.170 20 30 GGEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ncccc1OCCCC#N ZINC000186448819 1431422433 /nfs/dbraw/zinc/42/24/33/1431422433.db2.gz NFINLFQPTISMFZ-UHFFFAOYSA-N 0 3 387.509 3.421 20 30 GGEDHN C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000186478697 1431430881 /nfs/dbraw/zinc/43/08/81/1431430881.db2.gz UMIPYVUUZDVVSS-HXOBKFHXSA-N 0 3 392.503 3.475 20 30 GGEDHN Cc1csc([C@H](C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000186798830 1431519421 /nfs/dbraw/zinc/51/94/21/1431519421.db2.gz JLNCXUYXCAFAJZ-OAHLLOKOSA-N 0 3 385.537 3.200 20 30 GGEDHN CN1c2ccc(CN3CCCN(Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000186860782 1431544487 /nfs/dbraw/zinc/54/44/87/1431544487.db2.gz MVYKXNDELAMZNO-UHFFFAOYSA-N 0 3 388.515 3.175 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186929107 1431568569 /nfs/dbraw/zinc/56/85/69/1431568569.db2.gz KPGMWBYMWZLDFI-UHFFFAOYSA-N 0 3 384.451 3.154 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187238694 1431661237 /nfs/dbraw/zinc/66/12/37/1431661237.db2.gz BMEQLXNFNUYQGB-HTAPYJJXSA-N 0 3 381.524 3.154 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccccc3OC)c2CC)CC1 ZINC000187629564 1431782611 /nfs/dbraw/zinc/78/26/11/1431782611.db2.gz ZVYOBRNSWOGCBZ-UHFFFAOYSA-N 0 3 382.508 3.214 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000188041018 1431839098 /nfs/dbraw/zinc/83/90/98/1431839098.db2.gz RTIKQGIXNPKOKP-SFHVURJKSA-N 0 3 381.879 3.212 20 30 GGEDHN CCSc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000188110671 1431847866 /nfs/dbraw/zinc/84/78/66/1431847866.db2.gz WQWSHKOBAOYAAG-UHFFFAOYSA-N 0 3 397.548 3.339 20 30 GGEDHN C[C@H]1CN(CCC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@H](C)O1 ZINC000188176550 1431857222 /nfs/dbraw/zinc/85/72/22/1431857222.db2.gz UNUVTOPZDXXLGY-OALUTQOASA-N 0 3 395.547 3.328 20 30 GGEDHN N#Cc1c(F)cccc1C(=O)NCCCCN1CCN(Cc2ccccc2)CC1 ZINC000188423535 1431883096 /nfs/dbraw/zinc/88/30/96/1431883096.db2.gz DCQRMBGODIXIFX-UHFFFAOYSA-N 0 3 394.494 3.025 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188730841 1431949124 /nfs/dbraw/zinc/94/91/24/1431949124.db2.gz BYMXVTOKEYUDGG-HKUYNNGSSA-N 0 3 393.491 3.406 20 30 GGEDHN N#CCCCOc1cccnc1NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000188778958 1431971520 /nfs/dbraw/zinc/97/15/20/1431971520.db2.gz FCJTZJCQCYTXHD-UHFFFAOYSA-N 0 3 385.512 3.494 20 30 GGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000189029044 1432029821 /nfs/dbraw/zinc/02/98/21/1432029821.db2.gz AEHSIZXJFMRZDL-SIKLNZKXSA-N 0 3 387.524 3.020 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)CC1 ZINC000189845766 1432251634 /nfs/dbraw/zinc/25/16/34/1432251634.db2.gz UPUHOHILZJVTOK-UHFFFAOYSA-N 0 3 383.496 3.102 20 30 GGEDHN COC(=O)[C@@](C)(CN[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935373 1432280127 /nfs/dbraw/zinc/28/01/27/1432280127.db2.gz GSEXLHMFHCUPPR-QKKBWIMNSA-N 0 3 399.878 3.259 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)CC1 ZINC000190558440 1432406048 /nfs/dbraw/zinc/40/60/48/1432406048.db2.gz PBIBHKSYRSTEBV-UHFFFAOYSA-N 0 3 384.524 3.297 20 30 GGEDHN COCCOc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604386 1432417869 /nfs/dbraw/zinc/41/78/69/1432417869.db2.gz VNGUCWQUVORCOO-HTAPYJJXSA-N 0 3 393.487 3.035 20 30 GGEDHN COCCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604401 1432418052 /nfs/dbraw/zinc/41/80/52/1432418052.db2.gz VNGUCWQUVORCOO-VGOFRKELSA-N 0 3 393.487 3.035 20 30 GGEDHN CC[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000190617695 1432421566 /nfs/dbraw/zinc/42/15/66/1432421566.db2.gz UYEIPDLTYMMMBI-PMACEKPBSA-N 0 3 391.471 3.171 20 30 GGEDHN Cn1cc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C#N ZINC000190788099 1432480160 /nfs/dbraw/zinc/48/01/60/1432480160.db2.gz MYMMYCVVRRQXRN-UHFFFAOYSA-N 0 3 378.398 3.042 20 30 GGEDHN C=CCOc1ccccc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000190967772 1432539816 /nfs/dbraw/zinc/53/98/16/1432539816.db2.gz USXBFPFKKABWQQ-FQEVSTJZSA-N 0 3 380.488 3.272 20 30 GGEDHN N#CC(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1cnc2ccccc2n1 ZINC000190993712 1432545445 /nfs/dbraw/zinc/54/54/45/1432545445.db2.gz JAMTZSNAECRLPW-ZDUSSCGKSA-N 0 3 391.818 3.303 20 30 GGEDHN Cn1cc(CN2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1C#N ZINC000191195571 1432588185 /nfs/dbraw/zinc/58/81/85/1432588185.db2.gz WMNLBJSVMLCZPM-CQSZACIVSA-N 0 3 388.397 3.338 20 30 GGEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000191236393 1432599086 /nfs/dbraw/zinc/59/90/86/1432599086.db2.gz PJSADQRUGVUIEU-OXJNMPFZSA-N 0 3 392.503 3.234 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000191877357 1432745269 /nfs/dbraw/zinc/74/52/69/1432745269.db2.gz KUIFCEVYPSGZSW-FQEVSTJZSA-N 0 3 378.476 3.279 20 30 GGEDHN C#CCOc1ccccc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000191939229 1432760764 /nfs/dbraw/zinc/76/07/64/1432760764.db2.gz ZHTAZXSPSCWVSV-FQEVSTJZSA-N 0 3 393.487 3.111 20 30 GGEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975492 1432772853 /nfs/dbraw/zinc/77/28/53/1432772853.db2.gz XBDFRWAHFLTGQG-FQEVSTJZSA-N 0 3 393.510 3.127 20 30 GGEDHN O=C(NCC(F)(F)C(F)F)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000192020141 1432780677 /nfs/dbraw/zinc/78/06/77/1432780677.db2.gz NSASRSMSWLCGFQ-CQSZACIVSA-N 0 3 386.311 3.458 20 30 GGEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCO[C@@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000192116643 1432800393 /nfs/dbraw/zinc/80/03/93/1432800393.db2.gz DWDOSPYZEAFZCH-QHAWAJNXSA-N 0 3 397.425 3.452 20 30 GGEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCO[C@@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000192116653 1432800439 /nfs/dbraw/zinc/80/04/39/1432800439.db2.gz DWDOSPYZEAFZCH-PCCBWWKXSA-N 0 3 397.425 3.452 20 30 GGEDHN C=CCOc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192221674 1432818974 /nfs/dbraw/zinc/81/89/74/1432818974.db2.gz MKKBYCZFUQITPD-JOCHJYFZSA-N 0 3 380.488 3.272 20 30 GGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000192554895 1432859317 /nfs/dbraw/zinc/85/93/17/1432859317.db2.gz USBLUWLMUOYSHL-YFVAEKQCSA-N 0 3 396.535 3.070 20 30 GGEDHN CN(C)[C@@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000192958309 1432912971 /nfs/dbraw/zinc/91/29/71/1432912971.db2.gz AXRZSQILDBJLEY-FQEVSTJZSA-N 0 3 382.533 3.394 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1Cl ZINC000192988301 1432917837 /nfs/dbraw/zinc/91/78/37/1432917837.db2.gz BAOXPCLTVLVRIN-INIZCTEOSA-N 0 3 389.908 3.012 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2ncsc2c1)C(C)C ZINC000193107451 1432936919 /nfs/dbraw/zinc/93/69/19/1432936919.db2.gz FLXUOZAXWQDLHX-QGZVFWFLSA-N 0 3 386.521 3.050 20 30 GGEDHN Cc1nc2c(cnn2C(C)C)cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000193261181 1432969672 /nfs/dbraw/zinc/96/96/72/1432969672.db2.gz NALVIZJVFXMGFK-MRXNPFEDSA-N 0 3 377.452 3.129 20 30 GGEDHN COc1ccc(C)cc1N1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000193281194 1432973805 /nfs/dbraw/zinc/97/38/05/1432973805.db2.gz GSHHTLWZYAEMGP-LSDHHAIUSA-N 0 3 389.411 3.374 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1ccsc1)C(=O)Nc1ccc(Cl)cc1 ZINC000193396110 1432990632 /nfs/dbraw/zinc/99/06/32/1432990632.db2.gz QQGFEVGFGQUASB-HNNXBMFYSA-N 0 3 389.864 3.259 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccccc3)o2)c1 ZINC000193428507 1432997010 /nfs/dbraw/zinc/99/70/10/1432997010.db2.gz OZQOBNUMICCBOA-KRWDZBQOSA-N 0 3 390.399 3.025 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000193469453 1433004292 /nfs/dbraw/zinc/00/42/92/1433004292.db2.gz KHZZCXUFOFIIPD-OAHLLOKOSA-N 0 3 390.399 3.025 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccccc3)o2)cc1 ZINC000193494851 1433008562 /nfs/dbraw/zinc/00/85/62/1433008562.db2.gz CFVRULCHJNRPGU-QGZVFWFLSA-N 0 3 390.399 3.025 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(F)cc2Cl)cc1 ZINC000193495914 1433009035 /nfs/dbraw/zinc/00/90/35/1433009035.db2.gz HEQVRIPHYUQTTO-AWEZNQCLSA-N 0 3 376.771 3.214 20 30 GGEDHN CC(C)c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000193572861 1433021932 /nfs/dbraw/zinc/02/19/32/1433021932.db2.gz PURXDOLKTGLUIG-UHFFFAOYSA-N 0 3 392.503 3.211 20 30 GGEDHN Cc1cc(Cl)ccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193573553 1433022032 /nfs/dbraw/zinc/02/20/32/1433022032.db2.gz QDVFIVLTRKVUMY-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN COc1ccc(-n2ccc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000193609128 1433028317 /nfs/dbraw/zinc/02/83/17/1433028317.db2.gz ULJLUVBBMQVJHL-QGZVFWFLSA-N 0 3 394.818 3.495 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000194169495 1433131011 /nfs/dbraw/zinc/13/10/11/1433131011.db2.gz TXIGXBRXGKDBKC-HNNXBMFYSA-N 0 3 386.427 3.132 20 30 GGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000194557836 1433197101 /nfs/dbraw/zinc/19/71/01/1433197101.db2.gz TVRFXEKAPUVDDS-INIZCTEOSA-N 0 3 395.463 3.301 20 30 GGEDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000194725924 1433220646 /nfs/dbraw/zinc/22/06/46/1433220646.db2.gz VIYGCXUGOLTIKR-UHFFFAOYSA-N 0 3 381.455 3.113 20 30 GGEDHN COc1ccc(-n2cnnc2SCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000194844321 1433246526 /nfs/dbraw/zinc/24/65/26/1433246526.db2.gz BQMXHWICRSQDQU-AWEZNQCLSA-N 0 3 385.474 3.009 20 30 GGEDHN COc1ccc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1OCCCC#N ZINC000194933478 1433267501 /nfs/dbraw/zinc/26/75/01/1433267501.db2.gz WKQIZZFLPOBLEK-QGZVFWFLSA-N 0 3 399.495 3.206 20 30 GGEDHN C=C(C)COc1cc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)ccc1OC ZINC000194936218 1433268108 /nfs/dbraw/zinc/26/81/08/1433268108.db2.gz UQWYADAHBUOXML-KRWDZBQOSA-N 0 3 386.496 3.479 20 30 GGEDHN COc1cccc2c1CCC[C@H]2N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970315 1433274550 /nfs/dbraw/zinc/27/45/50/1433274550.db2.gz UJBXWXRPUTXIDK-RTWAWAEBSA-N 0 3 375.472 3.335 20 30 GGEDHN COc1cccc2c1CCC[C@@H]2N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970276 1433274559 /nfs/dbraw/zinc/27/45/59/1433274559.db2.gz UJBXWXRPUTXIDK-LEWJYISDSA-N 0 3 375.472 3.335 20 30 GGEDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000195143062 1433298740 /nfs/dbraw/zinc/29/87/40/1433298740.db2.gz CVYWICGKTXSHIA-UHFFFAOYSA-N 0 3 398.488 3.392 20 30 GGEDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000195286610 1433315189 /nfs/dbraw/zinc/31/51/89/1433315189.db2.gz FGJUOTHAHVCOJS-FPMFFAJLSA-N 0 3 382.819 3.101 20 30 GGEDHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000195662762 1433343758 /nfs/dbraw/zinc/34/37/58/1433343758.db2.gz GRAOGTPWROPBAN-UHFFFAOYSA-N 0 3 395.482 3.157 20 30 GGEDHN C#CCOc1ccc(Br)cc1CNC[C@@H](O)c1cccc(OC)c1 ZINC000237332933 1433397776 /nfs/dbraw/zinc/39/77/76/1433397776.db2.gz SKBWWPVUEZFOLJ-GOSISDBHSA-N 0 3 390.277 3.293 20 30 GGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000245460550 1433472320 /nfs/dbraw/zinc/47/23/20/1433472320.db2.gz VWLZVPWFZMXISU-WOJBJXKFSA-N 0 3 382.552 3.314 20 30 GGEDHN CCc1nccn1[C@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514420 1433480158 /nfs/dbraw/zinc/48/01/58/1433480158.db2.gz BVDRCODPBPMAFL-PMACEKPBSA-N 0 3 377.492 3.150 20 30 GGEDHN CCOC(=O)CC[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245536735 1433482304 /nfs/dbraw/zinc/48/23/04/1433482304.db2.gz XUVPUDUSESFJDL-ICSRJNTNSA-N 0 3 383.492 3.109 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000245601382 1433489730 /nfs/dbraw/zinc/48/97/30/1433489730.db2.gz PCXBPRRHDILIKF-MOPGFXCFSA-N 0 3 385.508 3.340 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245851780 1433527220 /nfs/dbraw/zinc/52/72/20/1433527220.db2.gz JKHHZMKMPMKPAH-ROUUACIJSA-N 0 3 397.498 3.149 20 30 GGEDHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246409734 1433608660 /nfs/dbraw/zinc/60/86/60/1433608660.db2.gz QELLNJGUICPNHU-CVEARBPZSA-N 0 3 388.537 3.010 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000246445792 1433613936 /nfs/dbraw/zinc/61/39/36/1433613936.db2.gz IHIUGRBXDMPGDG-NUJGCVRESA-N 0 3 378.428 3.467 20 30 GGEDHN C[C@@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CCN1Cc1ccccc1 ZINC000246625584 1433641386 /nfs/dbraw/zinc/64/13/86/1433641386.db2.gz ZCKDZPACSWTKBA-XLIONFOSSA-N 0 3 394.544 3.321 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247401631 1433716982 /nfs/dbraw/zinc/71/69/82/1433716982.db2.gz RKUSDEIDITVZLD-WOJBJXKFSA-N 0 3 392.503 3.077 20 30 GGEDHN CC[C@H](C)CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247580803 1433738834 /nfs/dbraw/zinc/73/88/34/1433738834.db2.gz LKLAMZIPSFMWHO-DLBZAZTESA-N 0 3 386.540 3.334 20 30 GGEDHN CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000248388944 1433793115 /nfs/dbraw/zinc/79/31/15/1433793115.db2.gz AENILTILUSSHBV-XMSQKQJNSA-N 0 3 378.520 3.360 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000248781627 1433822188 /nfs/dbraw/zinc/82/21/88/1433822188.db2.gz BYMXVTOKEYUDGG-PKOBYXMFSA-N 0 3 393.491 3.406 20 30 GGEDHN C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000249114394 1433835939 /nfs/dbraw/zinc/83/59/39/1433835939.db2.gz QFEHLWHHPRREAL-ZCNNSNEGSA-N 0 3 382.552 3.244 20 30 GGEDHN Cc1ccccc1CN1CCCN([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000251174451 1433857823 /nfs/dbraw/zinc/85/78/23/1433857823.db2.gz RNCBULQZFMNXQB-LJQANCHMSA-N 0 3 376.504 3.402 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000254961958 1433873003 /nfs/dbraw/zinc/87/30/03/1433873003.db2.gz NYNLZTKJDNWPCK-FHLSJSRISA-N 0 3 378.419 3.375 20 30 GGEDHN O=C(CON=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000255337525 1433880760 /nfs/dbraw/zinc/88/07/60/1433880760.db2.gz ZUFFYSHVNIQILI-CTNGQTDRSA-N 0 3 385.508 3.055 20 30 GGEDHN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000255842745 1433890017 /nfs/dbraw/zinc/89/00/17/1433890017.db2.gz JVCYVRQVHOEUOX-DUPNKOKHSA-N 0 3 391.471 3.443 20 30 GGEDHN COc1ccc(CNCCN(C)C(=O)OC(C)(C)C)cc1OCCCC#N ZINC000263695309 1434021997 /nfs/dbraw/zinc/02/19/97/1434021997.db2.gz DNAKNBMLJLOBBE-UHFFFAOYSA-N 0 3 377.485 3.334 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1 ZINC000263995888 1434059477 /nfs/dbraw/zinc/05/94/77/1434059477.db2.gz XKKSPPDYRVYYCQ-UHFFFAOYSA-N 0 3 387.911 3.250 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000264122084 1434073708 /nfs/dbraw/zinc/07/37/08/1434073708.db2.gz FHHVIRKWGRDPQO-UHFFFAOYSA-N 0 3 388.471 3.197 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2NC(=O)Cc2cccs2)CC1 ZINC000264345673 1434099857 /nfs/dbraw/zinc/09/98/57/1434099857.db2.gz GDNMZPCIAMVZQE-UHFFFAOYSA-N 0 3 381.501 3.213 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000264360332 1434102176 /nfs/dbraw/zinc/10/21/76/1434102176.db2.gz HJXUXXQHXPFLHM-ROUUACIJSA-N 0 3 386.540 3.462 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(COCCOCC)c2)CC1 ZINC000264401895 1434107753 /nfs/dbraw/zinc/10/77/53/1434107753.db2.gz PAZWZMJGQJNEMP-UHFFFAOYSA-N 0 3 375.513 3.402 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](c2nccn2C)c2ccc(Cl)cc2)CC1 ZINC000264412300 1434109383 /nfs/dbraw/zinc/10/93/83/1434109383.db2.gz OWVULVDSUIFTID-SFHVURJKSA-N 0 3 387.915 3.113 20 30 GGEDHN N#CCOc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000264540565 1434125884 /nfs/dbraw/zinc/12/58/84/1434125884.db2.gz HNDGGVJCBOTIPB-UHFFFAOYSA-N 0 3 383.517 3.221 20 30 GGEDHN N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)o1 ZINC000264575696 1434129832 /nfs/dbraw/zinc/12/98/32/1434129832.db2.gz SYQKQXDNNDNMEG-SFHVURJKSA-N 0 3 379.460 3.431 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1cccc(OC)c1 ZINC000264626623 1434136688 /nfs/dbraw/zinc/13/66/88/1434136688.db2.gz IPEGBQFDHHGLAK-JOCHJYFZSA-N 0 3 395.503 3.339 20 30 GGEDHN CN(CCC#N)c1ccc(CNCc2ccnc(OC3CCOCC3)c2)cc1 ZINC000264932788 1434165666 /nfs/dbraw/zinc/16/56/66/1434165666.db2.gz BNWVHXZRXHEDJU-UHFFFAOYSA-N 0 3 380.492 3.279 20 30 GGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C4CCC4)CC3)sc2C1 ZINC000265135091 1434189257 /nfs/dbraw/zinc/18/92/57/1434189257.db2.gz ODRHLMMAYXBNCW-OAHLLOKOSA-N 0 3 386.565 3.243 20 30 GGEDHN COc1ccc(CNCc2cccc(-n3cncn3)c2)cc1OCCCC#N ZINC000265424509 1434232637 /nfs/dbraw/zinc/23/26/37/1434232637.db2.gz QGXWCZIHYLKUHX-UHFFFAOYSA-N 0 3 377.448 3.248 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643989 1434252846 /nfs/dbraw/zinc/25/28/46/1434252846.db2.gz SMWQMFWOIXJIER-MSOLQXFVSA-N 0 3 389.496 3.017 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(C(=O)NC2CCCCC2)CC1 ZINC000265839212 1434270879 /nfs/dbraw/zinc/27/08/79/1434270879.db2.gz NFUQLXAROGXKMI-UHFFFAOYSA-N 0 3 385.508 3.107 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000266005559 1434295444 /nfs/dbraw/zinc/29/54/44/1434295444.db2.gz PRXBZFKGHQTNEP-UHFFFAOYSA-N 0 3 395.459 3.002 20 30 GGEDHN C=CCc1cc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc(OC)c1O ZINC000266185940 1434309101 /nfs/dbraw/zinc/30/91/01/1434309101.db2.gz WZCZFSGOADFKDZ-FQEVSTJZSA-N 0 3 393.487 3.058 20 30 GGEDHN C=CCOc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000266952395 1434392143 /nfs/dbraw/zinc/39/21/43/1434392143.db2.gz HJHJUOGBWJERGX-UGKGYDQZSA-N 0 3 395.503 3.256 20 30 GGEDHN C=CCOc1cccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000266952389 1434392282 /nfs/dbraw/zinc/39/22/82/1434392282.db2.gz HJHJUOGBWJERGX-KNQAVFIVSA-N 0 3 395.503 3.256 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000266988574 1434396333 /nfs/dbraw/zinc/39/63/33/1434396333.db2.gz WTYPSAACMAEYBX-XLIONFOSSA-N 0 3 398.894 3.216 20 30 GGEDHN C[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000267290853 1434419915 /nfs/dbraw/zinc/41/99/15/1434419915.db2.gz CAMINONVIJCQRW-QGZVFWFLSA-N 0 3 392.503 3.075 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000267566011 1434446343 /nfs/dbraw/zinc/44/63/43/1434446343.db2.gz BZBMKCCVBQOTSR-NRFANRHFSA-N 0 3 392.503 3.162 20 30 GGEDHN N#Cc1ccc(/C=C/C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000268656551 1434544906 /nfs/dbraw/zinc/54/49/06/1434544906.db2.gz LBMQDIFKETYIDU-CMDGGOBGSA-N 0 3 375.472 3.414 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000269146800 1434597245 /nfs/dbraw/zinc/59/72/45/1434597245.db2.gz PPYQBRDESDEMFV-IEBWSBKVSA-N 0 3 398.894 3.216 20 30 GGEDHN C#CC[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411480 1434731269 /nfs/dbraw/zinc/73/12/69/1434731269.db2.gz LMNFFGILEJMMTH-XQBPLPMBSA-N 0 3 383.536 3.282 20 30 GGEDHN C=C[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000270821076 1434778542 /nfs/dbraw/zinc/77/85/42/1434778542.db2.gz IEVGNZDNYCRZHI-MZYLBHOOSA-N 0 3 378.516 3.346 20 30 GGEDHN N#CCOc1cccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c1 ZINC000270861305 1434782523 /nfs/dbraw/zinc/78/25/23/1434782523.db2.gz MAEVZMXEFUUDPV-UHFFFAOYSA-N 0 3 379.460 3.046 20 30 GGEDHN COc1ccc(CN(C)C[C@H](O)COCc2ccccc2)cc1OCCCC#N ZINC000271112570 1434802563 /nfs/dbraw/zinc/80/25/63/1434802563.db2.gz AIHVWNSQPGBFEZ-NRFANRHFSA-N 0 3 398.503 3.387 20 30 GGEDHN COc1ccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000271173211 1434806094 /nfs/dbraw/zinc/80/60/94/1434806094.db2.gz MOYORUUNZXZUNT-UHFFFAOYSA-N 0 3 379.460 3.426 20 30 GGEDHN COC(=O)[C@@H]1CC12CCN(Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000271184256 1434806737 /nfs/dbraw/zinc/80/67/37/1434806737.db2.gz MGKVGUGOVSZIQJ-IBGZPJMESA-N 0 3 378.476 3.239 20 30 GGEDHN COc1cc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)ccc1SC(F)F ZINC000271452282 1434825823 /nfs/dbraw/zinc/82/58/23/1434825823.db2.gz IKDAVCUYRDTGHN-WHBPPDGWSA-N 0 3 397.447 3.187 20 30 GGEDHN C=CCC[C@@H](NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000271697560 1434844838 /nfs/dbraw/zinc/84/48/38/1434844838.db2.gz GOBPGGFLQHUIRB-OAQYLSRUSA-N 0 3 385.552 3.389 20 30 GGEDHN CC(C)NS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271958939 1434861991 /nfs/dbraw/zinc/86/19/91/1434861991.db2.gz QSDPOMAMPHBFQB-HNNXBMFYSA-N 0 3 389.496 3.376 20 30 GGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272363576 1434890672 /nfs/dbraw/zinc/89/06/72/1434890672.db2.gz FSVJRHNYSUTTAU-XLIONFOSSA-N 0 3 382.508 3.059 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272513766 1434902788 /nfs/dbraw/zinc/90/27/88/1434902788.db2.gz HZPIMRSUDMKVOX-QFIPXVFZSA-N 0 3 387.487 3.193 20 30 GGEDHN CC(=O)Nc1ccc([C@H](C)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716244 1434925612 /nfs/dbraw/zinc/92/56/12/1434925612.db2.gz DAZAWHJTIRDQQA-BTYIYWSLSA-N 0 3 376.460 3.363 20 30 GGEDHN C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1=CCN(C)CC1 ZINC000272904749 1434939986 /nfs/dbraw/zinc/93/99/86/1434939986.db2.gz CSOJFRPVMTWZAW-AWEZNQCLSA-N 0 3 381.505 3.377 20 30 GGEDHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000272930019 1434941863 /nfs/dbraw/zinc/94/18/63/1434941863.db2.gz ZIYXYUXPJFRYFP-PXNSSMCTSA-N 0 3 385.508 3.201 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(c3cc(C)[nH]n3)CC2)c(OC)c1 ZINC000273016921 1434950510 /nfs/dbraw/zinc/95/05/10/1434950510.db2.gz RMNZQBCMFRJDRD-IBGZPJMESA-N 0 3 385.508 3.075 20 30 GGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)C2=CCN(C)CC2)cc1 ZINC000273024146 1434951593 /nfs/dbraw/zinc/95/15/93/1434951593.db2.gz UFQJXZSSBNFCJC-QGZVFWFLSA-N 0 3 382.508 3.273 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN(C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000273097824 1434960401 /nfs/dbraw/zinc/96/04/01/1434960401.db2.gz VAABYDMRWGQXPW-DOTOQJQBSA-N 0 3 376.522 3.355 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273352449 1434982509 /nfs/dbraw/zinc/98/25/09/1434982509.db2.gz CRTFBYDACPOXBT-UHFFFAOYSA-N 0 3 385.399 3.201 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273621695 1435000386 /nfs/dbraw/zinc/00/03/86/1435000386.db2.gz REVUFASAFFWUHU-PMACEKPBSA-N 0 3 375.488 3.338 20 30 GGEDHN C=C[C@@](C)(CCOC)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000276126945 1435192665 /nfs/dbraw/zinc/19/26/65/1435192665.db2.gz BXGMPLRDVADGDP-NRFANRHFSA-N 0 3 378.488 3.014 20 30 GGEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000276783947 1435232252 /nfs/dbraw/zinc/23/22/52/1435232252.db2.gz XIFMJEXDASPDOI-UHFFFAOYSA-N 0 3 389.443 3.074 20 30 GGEDHN COc1cc(C#N)ccc1OCCN[C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277184609 1435275338 /nfs/dbraw/zinc/27/53/38/1435275338.db2.gz LMFMUHVIKHHXSQ-SFHVURJKSA-N 0 3 378.432 3.211 20 30 GGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204578 1435278244 /nfs/dbraw/zinc/27/82/44/1435278244.db2.gz JUNLGZIVWJORNC-HTAPYJJXSA-N 0 3 385.471 3.196 20 30 GGEDHN CC[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 ZINC000278197003 1435368483 /nfs/dbraw/zinc/36/84/83/1435368483.db2.gz GBHJKRRXFDAWQO-JOCHJYFZSA-N 0 3 376.504 3.187 20 30 GGEDHN C#CCN1CCC(C(=O)NC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000278203433 1435369245 /nfs/dbraw/zinc/36/92/45/1435369245.db2.gz CSFWEGKBZUGUPG-UHFFFAOYSA-N 0 3 394.437 3.173 20 30 GGEDHN CCN(CCC#N)C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278343865 1435382095 /nfs/dbraw/zinc/38/20/95/1435382095.db2.gz PQAAFGBDXYEGFJ-UHFFFAOYSA-N 0 3 383.414 3.063 20 30 GGEDHN Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCC([NH+](C)C)CC3)cc2)ccc1C#N ZINC000278497370 1435395153 /nfs/dbraw/zinc/39/51/53/1435395153.db2.gz MXRFBTVPTXAPNK-UHFFFAOYSA-N 0 3 398.532 3.198 20 30 GGEDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000278940191 1435442488 /nfs/dbraw/zinc/44/24/88/1435442488.db2.gz XMQIBOBUMJOWQC-CYBMUJFWSA-N 0 3 396.413 3.294 20 30 GGEDHN CN(CCN1CCOC(C)(C)C1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000279343206 1435489026 /nfs/dbraw/zinc/48/90/26/1435489026.db2.gz FIWUHFKLUKJFJB-UHFFFAOYSA-N 0 3 381.524 3.006 20 30 GGEDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370722 1435492000 /nfs/dbraw/zinc/49/20/00/1435492000.db2.gz IXFGGOYMGFAXGZ-INIZCTEOSA-N 0 3 398.511 3.204 20 30 GGEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@H](CCO)c1ccccc1 ZINC000279503882 1435506827 /nfs/dbraw/zinc/50/68/27/1435506827.db2.gz ZQGONVWAPYSPJH-OAQYLSRUSA-N 0 3 375.476 3.414 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000279773961 1435541234 /nfs/dbraw/zinc/54/12/34/1435541234.db2.gz BHRPJSISABRUIV-UHFFFAOYSA-N 0 3 385.430 3.120 20 30 GGEDHN CNC(=O)COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000280118476 1435595127 /nfs/dbraw/zinc/59/51/27/1435595127.db2.gz BMBBYZCBVOOZEO-UHFFFAOYSA-N 0 3 392.503 3.068 20 30 GGEDHN Cc1nc(C#N)c(N2CCC(c3nc(-c4ccc(CN(C)C)cc4)no3)CC2)o1 ZINC000280278586 1435624743 /nfs/dbraw/zinc/62/47/43/1435624743.db2.gz LMTJHXXZRGJRBE-UHFFFAOYSA-N 0 3 392.463 3.350 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355859 1435643080 /nfs/dbraw/zinc/64/30/80/1435643080.db2.gz IQGNLQFGSDQXFV-CVDCTZTESA-N 0 3 386.499 3.364 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000280818186 1435725597 /nfs/dbraw/zinc/72/55/97/1435725597.db2.gz AZGBFRYGSAJJFP-BEFAXECRSA-N 0 3 381.467 3.019 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC000280827052 1435727147 /nfs/dbraw/zinc/72/71/47/1435727147.db2.gz OPRFUXBSTNUYBL-IBGZPJMESA-N 0 3 387.524 3.327 20 30 GGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000280854729 1435731096 /nfs/dbraw/zinc/73/10/96/1435731096.db2.gz AZGBFRYGSAJJFP-DNVCBOLYSA-N 0 3 381.467 3.019 20 30 GGEDHN CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000281352779 1435805126 /nfs/dbraw/zinc/80/51/26/1435805126.db2.gz WWVYTWSBWKGRDO-RBBKRZOGSA-N 0 3 391.515 3.101 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000281511284 1435811724 /nfs/dbraw/zinc/81/17/24/1435811724.db2.gz KEGCNBOLZRGDFJ-LPHOPBHVSA-N 0 3 381.467 3.019 20 30 GGEDHN CN1CCN(CCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1(C)C ZINC000281731514 1435819900 /nfs/dbraw/zinc/81/99/00/1435819900.db2.gz JILHOZNARMPVHE-UHFFFAOYSA-N 0 3 392.503 3.106 20 30 GGEDHN N#CC1(CCCN2CCCN(C(=O)CCc3ccccc3)CC2)CCOCC1 ZINC000281989840 1435829924 /nfs/dbraw/zinc/82/99/24/1435829924.db2.gz MQWAUTJXYKKSFG-UHFFFAOYSA-N 0 3 383.536 3.254 20 30 GGEDHN CN(CCCC1(C#N)CCOCC1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000282099206 1435834500 /nfs/dbraw/zinc/83/45/00/1435834500.db2.gz VYHIETSVSPRZKQ-SFHVURJKSA-N 0 3 375.900 3.478 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CC2)CC1 ZINC000282296615 1435842074 /nfs/dbraw/zinc/84/20/74/1435842074.db2.gz WVDUNNHQMDKKBN-UHFFFAOYSA-N 0 3 387.524 3.276 20 30 GGEDHN C=CCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000282663260 1435855640 /nfs/dbraw/zinc/85/56/40/1435855640.db2.gz RIEVMNGMLKLBFL-UHFFFAOYSA-N 0 3 393.491 3.178 20 30 GGEDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282905580 1435865469 /nfs/dbraw/zinc/86/54/69/1435865469.db2.gz RNHXYSHRUNBTPC-UHFFFAOYSA-N 0 3 389.443 3.072 20 30 GGEDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000283319781 1435884235 /nfs/dbraw/zinc/88/42/35/1435884235.db2.gz ZOXIXXATSDFJDL-KFWWJZLASA-N 0 3 377.510 3.197 20 30 GGEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000283319782 1435884274 /nfs/dbraw/zinc/88/42/74/1435884274.db2.gz ZOXIXXATSDFJDL-RBSFLKMASA-N 0 3 377.510 3.197 20 30 GGEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164903111 721553153 /nfs/dbraw/zinc/55/31/53/721553153.db2.gz AMDBBXHRJTZRIA-TZIWHRDSSA-N 0 3 392.478 3.313 20 30 GGEDHN Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164979897 722101992 /nfs/dbraw/zinc/10/19/92/722101992.db2.gz IFZBYZGVKNUABA-HKUYNNGSSA-N 0 3 397.910 3.037 20 30 GGEDHN Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164979901 722102254 /nfs/dbraw/zinc/10/22/54/722102254.db2.gz IFZBYZGVKNUABA-MJGOQNOKSA-N 0 3 397.910 3.037 20 30 GGEDHN CC(C)c1ccc(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164983911 722103543 /nfs/dbraw/zinc/10/35/43/722103543.db2.gz QYJWZCKFVCBVLP-RBBKRZOGSA-N 0 3 391.519 3.199 20 30 GGEDHN COc1ccc(C[C@@](C)(CO)NCc2ccc(C#N)cc2OC(F)F)cc1 ZINC001176587256 1126149728 /nfs/dbraw/zinc/14/97/28/1126149728.db2.gz HZZKWCZBSRPTOG-FQEVSTJZSA-N 0 3 376.403 3.252 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 ZINC000067163757 518268687 /nfs/dbraw/zinc/26/86/87/518268687.db2.gz AQKSSENUUAYUET-UHFFFAOYSA-N 0 3 379.460 3.475 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccnc1 ZINC000019314181 519228464 /nfs/dbraw/zinc/22/84/64/519228464.db2.gz XUJNJYCYRQGHLI-CQSZACIVSA-N 0 3 396.501 3.260 20 30 GGEDHN C[C@@H](CCc1ccc(Br)cc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597967 564196819 /nfs/dbraw/zinc/19/68/19/564196819.db2.gz KMMGXPHWAHCJBB-SCLBCKFNSA-N 0 3 386.293 3.458 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CNC2(c3ccc(Br)cc3)CC2)cc1 ZINC000120031883 564301020 /nfs/dbraw/zinc/30/10/20/564301020.db2.gz SNKKUXHKHRWGMG-QGZVFWFLSA-N 0 3 387.277 3.339 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nc2ccsc2c1=O ZINC000023053648 564321785 /nfs/dbraw/zinc/32/17/85/564321785.db2.gz CYDJQWDGVMGUKF-SNVBAGLBSA-N 0 3 390.515 3.211 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000121535733 564372912 /nfs/dbraw/zinc/37/29/12/564372912.db2.gz YNOYQNSCVZAUJJ-UHFFFAOYSA-N 0 3 382.258 3.128 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1nnc(C(F)(F)F)s1)C(C)C ZINC000124790722 564493535 /nfs/dbraw/zinc/49/35/35/564493535.db2.gz QQCFXLHDTDKBBX-NSHDSACASA-N 0 3 377.436 3.377 20 30 GGEDHN CN(CCOc1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125535907 564517515 /nfs/dbraw/zinc/51/75/15/564517515.db2.gz BVUPIWBIUODWBV-SFHVURJKSA-N 0 3 375.266 3.365 20 30 GGEDHN CN(CCOc1ccccc1C#N)[C@H](CO)c1cccc(Br)c1 ZINC000125784254 564526900 /nfs/dbraw/zinc/52/69/00/564526900.db2.gz WSENAGHFZXGQOI-QGZVFWFLSA-N 0 3 375.266 3.365 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCCc2cccc(Br)c2)CC1 ZINC000066704192 564773053 /nfs/dbraw/zinc/77/30/53/564773053.db2.gz YLVPJSWYUHDMFC-UHFFFAOYSA-N 0 3 380.330 3.331 20 30 GGEDHN C=CCNc1ncc(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)s1 ZINC000136231880 564847009 /nfs/dbraw/zinc/84/70/09/564847009.db2.gz GTNNUHDWKLFABS-CQSZACIVSA-N 0 3 376.551 3.445 20 30 GGEDHN CC(C)[C@](C)(C#N)NC(=O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000109818666 565032143 /nfs/dbraw/zinc/03/21/43/565032143.db2.gz ORHGDWPQUJWPSX-SFHVURJKSA-N 0 3 380.330 3.414 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccccc2Br)CC1 ZINC000112293753 565061970 /nfs/dbraw/zinc/06/19/70/565061970.db2.gz ZJEKBDUTOZRVML-CQSZACIVSA-N 0 3 381.314 3.373 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000184652844 565150331 /nfs/dbraw/zinc/15/03/31/565150331.db2.gz UZDCYELXPVLGNN-UHFFFAOYSA-N 0 3 391.313 3.380 20 30 GGEDHN N#C[C@@H]1CCC[C@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185861021 565224540 /nfs/dbraw/zinc/22/45/40/565224540.db2.gz WMPWHBDNNXEXDQ-PBHICJAKSA-N 0 3 378.314 3.458 20 30 GGEDHN C=CCCOCCNCc1cc(Br)cc(Br)c1N ZINC000185873896 565226395 /nfs/dbraw/zinc/22/63/95/565226395.db2.gz JCCXJYBSYNYEKG-UHFFFAOYSA-N 0 3 378.108 3.476 20 30 GGEDHN CN(C[C@H](O)c1ccccc1Br)C[C@@H](O)c1ccc(C#N)cc1 ZINC000295314321 565259028 /nfs/dbraw/zinc/25/90/28/565259028.db2.gz LLNIGOYYKXRSID-MSOLQXFVSA-N 0 3 375.266 3.020 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)CCc2cnccn2)cc1OC ZINC000272762047 565296845 /nfs/dbraw/zinc/29/68/45/565296845.db2.gz LSIPFYLVIOGHNR-UHFFFAOYSA-N 0 3 392.297 3.487 20 30 GGEDHN N#CC(C(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccccn1 ZINC000161935280 565297466 /nfs/dbraw/zinc/29/74/66/565297466.db2.gz VTFUOCDYOLUKSY-LBPRGKRZSA-N 0 3 393.140 3.084 20 30 GGEDHN CN1CCN(CC2(C)CCN(c3ccc(C#N)cc3Br)CC2)CC1 ZINC000374934097 565360552 /nfs/dbraw/zinc/36/05/52/565360552.db2.gz ZABVHTQFEJJSTO-UHFFFAOYSA-N 0 3 391.357 3.175 20 30 GGEDHN C=CCOc1c(Br)cc(CNCC2(C(=O)OC)CC2)cc1OC ZINC000188684995 565416277 /nfs/dbraw/zinc/41/62/77/565416277.db2.gz URHBYHIXMMOWQA-UHFFFAOYSA-N 0 3 384.270 3.065 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Br)ccc2OC)CC1 ZINC000171557980 565437323 /nfs/dbraw/zinc/43/73/23/565437323.db2.gz FNQMZGMGAFJNSV-UHFFFAOYSA-N 0 3 396.329 3.297 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(F)c(Br)c2)CC1 ZINC000171560761 565437620 /nfs/dbraw/zinc/43/76/20/565437620.db2.gz XTDMXPCLUWOOMJ-UHFFFAOYSA-N 0 3 398.320 3.470 20 30 GGEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1ccc(Br)cc1C#N ZINC000376506501 565439990 /nfs/dbraw/zinc/43/99/90/565439990.db2.gz KZFWQPZTSSXPBL-CQSZACIVSA-N 0 3 378.314 3.006 20 30 GGEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(Br)cc1C#N ZINC000376506500 565440315 /nfs/dbraw/zinc/44/03/15/565440315.db2.gz KZFWQPZTSSXPBL-AWEZNQCLSA-N 0 3 378.314 3.006 20 30 GGEDHN C=CCN1CCC(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)CC1 ZINC000171714336 565446754 /nfs/dbraw/zinc/44/67/54/565446754.db2.gz RMJATQRUZMKDQG-UHFFFAOYSA-N 0 3 389.297 3.219 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000171717944 565446864 /nfs/dbraw/zinc/44/68/64/565446864.db2.gz VXDZKGNOKWOMDY-AWEZNQCLSA-N 0 3 381.314 3.291 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 ZINC000171717980 565447106 /nfs/dbraw/zinc/44/71/06/565447106.db2.gz MPSVFZKFDAXIRX-UHFFFAOYSA-N 0 3 389.297 3.015 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(Br)c(OCC)c(OC)c2)CC1 ZINC000171721653 565447394 /nfs/dbraw/zinc/44/73/94/565447394.db2.gz IAGNWMUJWGSEEF-UHFFFAOYSA-N 0 3 397.313 3.237 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000171739251 565447936 /nfs/dbraw/zinc/44/79/36/565447936.db2.gz ZMYVVLDOMWTAQS-UHFFFAOYSA-N 0 3 378.314 3.167 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000299609769 565456341 /nfs/dbraw/zinc/45/63/41/565456341.db2.gz YAFVWZYGXQUAQA-UHFFFAOYSA-N 0 3 377.941 3.177 20 30 GGEDHN CC[C@@H](C)[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000299601621 565457058 /nfs/dbraw/zinc/45/70/58/565457058.db2.gz NSDJLABHKKJHKK-GFCCVEGCSA-O 0 3 377.555 3.472 20 30 GGEDHN N#Cc1ccc(NCc2ccccc2CN2CC[C@@H](O)C2)c(Br)c1 ZINC000302046962 565526711 /nfs/dbraw/zinc/52/67/11/565526711.db2.gz LJIBJOIGXIJYDJ-QGZVFWFLSA-N 0 3 386.293 3.499 20 30 GGEDHN N#Cc1cc(Br)ccc1NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000302106432 565529955 /nfs/dbraw/zinc/52/99/55/565529955.db2.gz XTMJKKBFKYEFOP-ROUUACIJSA-N 0 3 386.293 3.368 20 30 GGEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1cc(C#N)ccc1Br ZINC000278371859 565554631 /nfs/dbraw/zinc/55/46/31/565554631.db2.gz CBGOIDTZZDALQL-AWEZNQCLSA-N 0 3 378.314 3.006 20 30 GGEDHN CC[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000303436639 565569972 /nfs/dbraw/zinc/56/99/72/565569972.db2.gz DPXYGPOFBQSWTP-CQSZACIVSA-N 0 3 383.945 3.391 20 30 GGEDHN N#C[C@H]1CC[C@@H](N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278706696 565574516 /nfs/dbraw/zinc/57/45/16/565574516.db2.gz UBAOFUGNOHGGFA-SWLSCSKDSA-N 0 3 377.286 3.187 20 30 GGEDHN N#C[C@@H]1CC[C@H](N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752940 565576420 /nfs/dbraw/zinc/57/64/20/565576420.db2.gz XEKMXGNEGZTWFG-NFAWXSAZSA-N 0 3 377.286 3.187 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155258 565596446 /nfs/dbraw/zinc/59/64/46/565596446.db2.gz QCDJPIAHHVCWRX-LZWOXQAQSA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155254 565596944 /nfs/dbraw/zinc/59/69/44/565596944.db2.gz QCDJPIAHHVCWRX-IIAWOOMASA-N 0 3 381.929 3.238 20 30 GGEDHN N#CC(C(=O)c1ccc(F)c(Br)c1)c1nnc2n1CCCCC2 ZINC000174008643 565606753 /nfs/dbraw/zinc/60/67/53/565606753.db2.gz UXBXWNAJEGDOQV-LLVKDONJSA-N 0 3 377.217 3.396 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 ZINC000279817253 565635027 /nfs/dbraw/zinc/63/50/27/565635027.db2.gz GDSKPKMFFUTISX-ZDUSSCGKSA-N 0 3 381.318 3.245 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)CN1C1CC1 ZINC000328809008 565642534 /nfs/dbraw/zinc/64/25/34/565642534.db2.gz MJTGGBLQJPGRJY-HFBDOXOYSA-N 0 3 398.276 3.151 20 30 GGEDHN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000328835149 565643359 /nfs/dbraw/zinc/64/33/59/565643359.db2.gz SGGGONUFGNVZCX-BASLNEPJSA-N 0 3 397.313 3.287 20 30 GGEDHN CN1CCC2(CCCN2C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 ZINC000329100449 565654845 /nfs/dbraw/zinc/65/48/45/565654845.db2.gz ZKOLPOZXGPSWJP-UHFFFAOYSA-N 0 3 386.327 3.275 20 30 GGEDHN CCN1CCC(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 ZINC000329329289 565663313 /nfs/dbraw/zinc/66/33/13/565663313.db2.gz YIBQQNFVJMIHPK-UHFFFAOYSA-N 0 3 382.258 3.218 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCN1C ZINC000329709046 565676330 /nfs/dbraw/zinc/67/63/30/565676330.db2.gz LINNFXDWCUOOBI-DAXOMENPSA-N 0 3 381.929 3.294 20 30 GGEDHN CN1CC[C@@H]2CCN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)[C@@H]2C1 ZINC000329836843 565682430 /nfs/dbraw/zinc/68/24/30/565682430.db2.gz HZFZEKMIRXHLEI-SJKOYZFVSA-N 0 3 391.313 3.370 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000329827832 565682449 /nfs/dbraw/zinc/68/24/49/565682449.db2.gz JCTDDLOCFMAQHW-IAQYHMDHSA-N 0 3 395.297 3.202 20 30 GGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1ncc(C#N)cc1Cl ZINC000410474457 565687292 /nfs/dbraw/zinc/68/72/92/565687292.db2.gz KWFKUWFFKSSFHE-UHFFFAOYSA-N 0 3 377.275 3.464 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)OC)c2Br)CC1 ZINC000192424078 565688633 /nfs/dbraw/zinc/68/86/33/565688633.db2.gz GEQHHUUMWISWOA-UHFFFAOYSA-N 0 3 396.285 3.008 20 30 GGEDHN CC(C(=O)N[C@H]1CCSc2ccc(F)cc21)S(=O)(=O)C1CCOCC1 ZINC000330049310 565689983 /nfs/dbraw/zinc/68/99/83/565689983.db2.gz KQWKGPLYOWDONV-ABAIWWIYSA-N 0 3 387.498 3.301 20 30 GGEDHN Cc1csc(C2(NC(=O)C(C)S(=O)(=O)C3CCOCC3)CCCC2)n1 ZINC000330086053 565692094 /nfs/dbraw/zinc/69/20/94/565692094.db2.gz RTRMHMJIGTYUAW-CYBMUJFWSA-N 0 3 386.539 3.160 20 30 GGEDHN CC(C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)S(=O)(=O)C1CCOCC1 ZINC000330166568 565696072 /nfs/dbraw/zinc/69/60/72/565696072.db2.gz VGKSHBGGRRVBIU-RYUDHWBXSA-N 0 3 388.555 3.440 20 30 GGEDHN NC(=O)c1ccc(NC(=O)CCN2CCS[C@H]3COCC[C@H]32)cc1Cl ZINC000330182419 565696754 /nfs/dbraw/zinc/69/67/54/565696754.db2.gz OYTCURWUCTWYGY-CABCVRRESA-N 0 3 383.901 3.408 20 30 GGEDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000330579108 565713360 /nfs/dbraw/zinc/71/33/60/565713360.db2.gz SKAXOGUMKUGDKE-OLZOCXBDSA-N 0 3 387.933 3.137 20 30 GGEDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(Br)cc1Cl ZINC000330604036 565714282 /nfs/dbraw/zinc/71/42/82/565714282.db2.gz IHUSFSZEAMCBOK-GFCCVEGCSA-N 0 3 375.694 3.254 20 30 GGEDHN CCOc1c(Cl)cc(NC(=O)N2CCO[C@@H](CN(C)C)C2)cc1Cl ZINC000330983248 565733528 /nfs/dbraw/zinc/73/35/28/565733528.db2.gz JZWCLNWXEZJUAF-LBPRGKRZSA-N 0 3 376.284 3.200 20 30 GGEDHN COc1ccc(Br)c(NC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000331279718 565751603 /nfs/dbraw/zinc/75/16/03/565751603.db2.gz KDTUQJPIHRWEFY-OAHLLOKOSA-N 0 3 388.331 3.221 20 30 GGEDHN COc1ccc(Br)c(NC(=O)NC[C@@]2(N(C)C)CCSC2)c1 ZINC000331279717 565751812 /nfs/dbraw/zinc/75/18/12/565751812.db2.gz KDTUQJPIHRWEFY-HNNXBMFYSA-N 0 3 388.331 3.221 20 30 GGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000281936591 565755742 /nfs/dbraw/zinc/75/57/42/565755742.db2.gz KVBGZYVGXDZPKO-UHFFFAOYSA-N 0 3 384.977 3.125 20 30 GGEDHN N#Cc1ccc(Br)c(CN2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)c1 ZINC000411972485 565764769 /nfs/dbraw/zinc/76/47/69/565764769.db2.gz NCGQWSSBMGEZJB-DLBZAZTESA-N 0 3 384.277 3.022 20 30 GGEDHN N#Cc1ccc(NC(=O)N2CC[C@H](N3CCCCC3)C2)cc1Br ZINC000332676277 565852639 /nfs/dbraw/zinc/85/26/39/565852639.db2.gz QLEMFSSCQSGDEX-HNNXBMFYSA-N 0 3 377.286 3.413 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000285211807 565895016 /nfs/dbraw/zinc/89/50/16/565895016.db2.gz BSKIYSGXJAHZKN-QGZVFWFLSA-N 0 3 393.329 3.245 20 30 GGEDHN C=CCN1CCC(NC(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 ZINC000178114729 565897932 /nfs/dbraw/zinc/89/79/32/565897932.db2.gz QGURCBKUWRCCII-UHFFFAOYSA-N 0 3 376.298 3.240 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@H](CC)c2ccc(Cl)s2)CC1 ZINC000286363432 565956134 /nfs/dbraw/zinc/95/61/34/565956134.db2.gz BZCAFDIAIVSGOU-CQSZACIVSA-N 0 3 383.945 3.126 20 30 GGEDHN C=CCN1CCC(NC(=O)Cc2c[nH]c3cccc(Br)c23)CC1 ZINC000179248232 565968262 /nfs/dbraw/zinc/96/82/62/565968262.db2.gz IZYQYXYBLIPKMS-UHFFFAOYSA-N 0 3 376.298 3.240 20 30 GGEDHN C=CCN1CCC(NC(=O)C2(c3cc(Br)ccc3OC)CC2)CC1 ZINC000416152621 566037641 /nfs/dbraw/zinc/03/76/41/566037641.db2.gz XZBZJBIJJXXYEB-UHFFFAOYSA-N 0 3 393.325 3.256 20 30 GGEDHN C[C@@H](C#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000416482796 566074594 /nfs/dbraw/zinc/07/45/94/566074594.db2.gz ZVXWEMQIBLGNGL-OETQVWQLSA-N 0 3 381.929 3.085 20 30 GGEDHN C[C@H]1C[C@H](NCCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866835 566095283 /nfs/dbraw/zinc/09/52/83/566095283.db2.gz ZPVQEZMOFAESRQ-YPBRSNMLSA-N 0 3 390.281 3.113 20 30 GGEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)NCCCC#N)CC1 ZINC000367760016 566215832 /nfs/dbraw/zinc/21/58/32/566215832.db2.gz WYSFBWYOFXBGDB-UHFFFAOYSA-N 0 3 393.329 3.359 20 30 GGEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000183024596 566235249 /nfs/dbraw/zinc/23/52/49/566235249.db2.gz GGBAUDXVXQNUJA-ZFWWWQNUSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000183024576 566235261 /nfs/dbraw/zinc/23/52/61/566235261.db2.gz GGBAUDXVXQNUJA-UKRRQHHQSA-N 0 3 381.929 3.143 20 30 GGEDHN N#Cc1ccc(CNCCOc2ccc(I)cc2)s1 ZINC000509432135 566304972 /nfs/dbraw/zinc/30/49/72/566304972.db2.gz YBXYSMNONDOKAZ-UHFFFAOYSA-N 0 3 384.242 3.393 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCC[C@@H]1Cc1ccccc1Br ZINC000420977851 566334187 /nfs/dbraw/zinc/33/41/87/566334187.db2.gz SOANKPGXEPGCPX-MRXNPFEDSA-N 0 3 378.314 3.218 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCCC[C@H]2O)CC1 ZINC000576520329 566354163 /nfs/dbraw/zinc/35/41/63/566354163.db2.gz LRYHLYKPSJZQSB-BHIYHBOVSA-N 0 3 392.341 3.182 20 30 GGEDHN Cc1cc(CNC[C@@H](O)COc2ccccc2C#N)ccc1Br ZINC000600735462 566361099 /nfs/dbraw/zinc/36/10/99/566361099.db2.gz JMNOXIWQRXFQMP-MRXNPFEDSA-N 0 3 375.266 3.159 20 30 GGEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000576609580 566362646 /nfs/dbraw/zinc/36/26/46/566362646.db2.gz HIFKWRNDLGYOFM-YJBOKZPZSA-N 0 3 378.314 3.058 20 30 GGEDHN C=CCC[C@H](O)CN[C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000483248231 566367921 /nfs/dbraw/zinc/36/79/21/566367921.db2.gz DSVFFHKBSFHNSP-FZMZJTMJSA-N 0 3 382.220 3.418 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@H]1CCCN(C)C1 ZINC000576952523 566393375 /nfs/dbraw/zinc/39/33/75/566393375.db2.gz LWFZWHMMBXRBDQ-CYBMUJFWSA-N 0 3 382.302 3.477 20 30 GGEDHN COc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1Br ZINC000626302696 566398867 /nfs/dbraw/zinc/39/88/67/566398867.db2.gz KVLIXQYVKUCEDV-GFCCVEGCSA-N 0 3 389.253 3.266 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccccc2Br)cc1 ZINC000577503916 566440092 /nfs/dbraw/zinc/44/00/92/566440092.db2.gz WZYDAVKTSKNTMY-DKSSEZFCSA-N 0 3 387.277 3.206 20 30 GGEDHN N#Cc1cc(Br)ccc1CN[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000558116337 566450818 /nfs/dbraw/zinc/45/08/18/566450818.db2.gz FPYJZWGXKDQZPN-ROUUACIJSA-N 0 3 378.314 3.054 20 30 GGEDHN N#Cc1cc(Br)ccc1CN[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000558116336 566450952 /nfs/dbraw/zinc/45/09/52/566450952.db2.gz FPYJZWGXKDQZPN-QZTJIDSGSA-N 0 3 378.314 3.054 20 30 GGEDHN Cc1ccc(Br)cc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000577860597 566470724 /nfs/dbraw/zinc/47/07/24/566470724.db2.gz PHCWRQRDAFTYBL-SFHVURJKSA-N 0 3 389.293 3.353 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccsc2)cc1 ZINC000558411815 566471566 /nfs/dbraw/zinc/47/15/66/566471566.db2.gz MWFRAISQNTVJET-OLZOCXBDSA-N 0 3 377.491 3.187 20 30 GGEDHN N#CCCC[C@H](N)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544261 566477390 /nfs/dbraw/zinc/47/73/90/566477390.db2.gz GREJYLZZAQMSPN-HOCLYGCPSA-N 0 3 389.297 3.445 20 30 GGEDHN C[C@H](CC1(C#N)CCOCC1)NCc1cc2c(c(Br)c1)OCO2 ZINC000602585598 566480286 /nfs/dbraw/zinc/48/02/86/566480286.db2.gz HGUWMLLJCQLKQW-GFCCVEGCSA-N 0 3 381.270 3.366 20 30 GGEDHN CN(C)[C@@H](CNC(=O)c1ccc(Br)cc1C#N)Cc1ccccc1 ZINC000448609033 566482702 /nfs/dbraw/zinc/48/27/02/566482702.db2.gz YREBRWNTZYBUDJ-QGZVFWFLSA-N 0 3 386.293 3.223 20 30 GGEDHN CCS(=O)(=O)c1cc(Cl)cc(CN[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602693717 566487462 /nfs/dbraw/zinc/48/74/62/566487462.db2.gz FVTIVTRXEIHQAB-CQSZACIVSA-N 0 3 384.929 3.322 20 30 GGEDHN C[C@H](CC1(C#N)CCOCC1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000602673315 566488149 /nfs/dbraw/zinc/48/81/49/566488149.db2.gz SCKYGTFFRCBUSI-OAHLLOKOSA-N 0 3 384.929 3.192 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 ZINC000424065995 566507411 /nfs/dbraw/zinc/50/74/11/566507411.db2.gz MOFKYKUFHSMYQA-CQSZACIVSA-N 0 3 393.310 3.456 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccccc2-n2cc(Br)cn2)CC1 ZINC000448921818 566511535 /nfs/dbraw/zinc/51/15/35/566511535.db2.gz ORFBLLVZYUDHCP-UHFFFAOYSA-N 0 3 389.297 3.015 20 30 GGEDHN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424109441 566513110 /nfs/dbraw/zinc/51/31/10/566513110.db2.gz AKUJZIQLYAPUOE-LSDHHAIUSA-N 0 3 380.286 3.142 20 30 GGEDHN N#CCCC[C@H](N)C(=O)Nc1nnc(-c2cc(Br)ccc2F)s1 ZINC000424135646 566514199 /nfs/dbraw/zinc/51/41/99/566514199.db2.gz JSDXZLOICMQUFN-NSHDSACASA-N 0 3 398.261 3.066 20 30 GGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000424125618 566514582 /nfs/dbraw/zinc/51/45/82/566514582.db2.gz OGNDAGMOFHHWTP-INIZCTEOSA-N 0 3 378.314 3.398 20 30 GGEDHN CN(C(=O)[C@H](N)CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000424148212 566515626 /nfs/dbraw/zinc/51/56/26/566515626.db2.gz ZLDCADDGNNLFFV-ZIAGYGMSSA-N 0 3 382.327 3.466 20 30 GGEDHN CN(C(=O)[C@H](N)CCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000424148210 566516324 /nfs/dbraw/zinc/51/63/24/566516324.db2.gz ZLDCADDGNNLFFV-KGLIPLIRSA-N 0 3 382.327 3.466 20 30 GGEDHN COc1cc(CN[C@@H]2CC[C@H](C#N)C2)cc(I)c1OC ZINC000424206179 566519457 /nfs/dbraw/zinc/51/94/57/566519457.db2.gz WRUNRTSGPNQRRI-CMPLNLGQSA-N 0 3 386.233 3.090 20 30 GGEDHN CNC(=O)[C@@H](C)Oc1ccc(Br)cc1CNCC(C)(C)CCC#N ZINC000449333812 566549925 /nfs/dbraw/zinc/54/99/25/566549925.db2.gz WCJNGBPRXKOSGJ-CYBMUJFWSA-N 0 3 396.329 3.382 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465857892 566550109 /nfs/dbraw/zinc/55/01/09/566550109.db2.gz JBMMZPGPEGGDNT-AWEZNQCLSA-N 0 3 396.329 3.166 20 30 GGEDHN CC(C)(NCC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000604124535 566553965 /nfs/dbraw/zinc/55/39/65/566553965.db2.gz JILPOMAVEKVTPS-UHFFFAOYSA-N 0 3 386.293 3.462 20 30 GGEDHN N#Cc1ccc(CNC(=O)NCC2(N3CCSCC3)CCCCC2)s1 ZINC000578856136 566558772 /nfs/dbraw/zinc/55/87/72/566558772.db2.gz GTHMXWRZFXROGN-UHFFFAOYSA-N 0 3 378.567 3.171 20 30 GGEDHN N#Cc1ncn(CCNCc2ccc(-c3ccccc3Br)s2)n1 ZINC000512904068 566568104 /nfs/dbraw/zinc/56/81/04/566568104.db2.gz LXLHFSWCOJMMSH-UHFFFAOYSA-N 0 3 388.294 3.431 20 30 GGEDHN C=CC[C@H](CO)CNCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000539223806 566569522 /nfs/dbraw/zinc/56/95/22/566569522.db2.gz MNIFMEOIFCUCOQ-JTQLQIEISA-N 0 3 380.229 3.333 20 30 GGEDHN C=C[C@@H]1OCCC[C@H]1NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000449547432 566575177 /nfs/dbraw/zinc/57/51/77/566575177.db2.gz IAZSINNJYTZGEI-KGLIPLIRSA-N 0 3 388.205 3.023 20 30 GGEDHN C=CCC[C@@H](CO)NCc1cc(Br)cc(Br)c1N ZINC000449694211 566594148 /nfs/dbraw/zinc/59/41/48/566594148.db2.gz ATSNDPKRAGVHFI-NSHDSACASA-N 0 3 378.108 3.211 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)c1ncc(Br)cc1C#N ZINC000450377279 566663500 /nfs/dbraw/zinc/66/35/00/566663500.db2.gz ITVLJUNKNYFTGS-UHFFFAOYSA-N 0 3 384.281 3.156 20 30 GGEDHN N#Cc1cccc(C(=O)NCC2CCN(c3ccncc3)CC2)c1Br ZINC000450394906 566667134 /nfs/dbraw/zinc/66/71/34/566667134.db2.gz YPGHSXCAJYZFSF-UHFFFAOYSA-N 0 3 399.292 3.362 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCOC2)CC1 ZINC000450652023 566694505 /nfs/dbraw/zinc/69/45/05/566694505.db2.gz FHPXXOWRLRLCPE-MAUKXSAKSA-N 0 3 378.314 3.058 20 30 GGEDHN N#Cc1ccc(OCCN(CCO)Cc2cccc(Br)c2)cc1 ZINC000488198871 566713940 /nfs/dbraw/zinc/71/39/40/566713940.db2.gz JMNFNMLKBQHLKN-UHFFFAOYSA-N 0 3 375.266 3.194 20 30 GGEDHN C=C[C@@](C)(O)CC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000426781520 566728872 /nfs/dbraw/zinc/72/88/72/566728872.db2.gz AMGPFGDXYKBEAS-LJQANCHMSA-N 0 3 395.341 3.199 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000561786429 566740103 /nfs/dbraw/zinc/74/01/03/566740103.db2.gz FLEFWJCMOFWYAO-MRXNPFEDSA-N 0 3 382.957 3.074 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@H](OC)c2ccccc2Br)CC1 ZINC000654747883 566751442 /nfs/dbraw/zinc/75/14/42/566751442.db2.gz PAHFYACIKKBFKD-QGZVFWFLSA-N 0 3 381.314 3.293 20 30 GGEDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1cccc(C#N)c1 ZINC000562055281 566760973 /nfs/dbraw/zinc/76/09/73/566760973.db2.gz SRVQPYPJOWLLQL-WMLDXEAASA-N 0 3 375.519 3.124 20 30 GGEDHN N#Cc1cnn2cc(CNCCCOc3ccc(Cl)cc3Cl)cnc12 ZINC000516961055 566795487 /nfs/dbraw/zinc/79/54/87/566795487.db2.gz NBBHYJYIVXYMRX-UHFFFAOYSA-N 0 3 376.247 3.466 20 30 GGEDHN C=CCSCCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000581782077 566807309 /nfs/dbraw/zinc/80/73/09/566807309.db2.gz OQAIWOHRFXJZTF-UHFFFAOYSA-N 0 3 378.235 3.208 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2csc(I)c2)nc(C)n1 ZINC000517426695 566825758 /nfs/dbraw/zinc/82/57/58/566825758.db2.gz HBJLFWFVXWGGJI-JTQLQIEISA-N 0 3 383.214 3.250 20 30 GGEDHN N#Cc1cccc(OCCCN[C@H](CO)c2ccc(Br)cc2)c1 ZINC000542908136 566836274 /nfs/dbraw/zinc/83/62/74/566836274.db2.gz CXEBZJHESDKFDR-GOSISDBHSA-N 0 3 375.266 3.413 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2cccc(Cl)c2Cl)cc1 ZINC000610497429 566838965 /nfs/dbraw/zinc/83/89/65/566838965.db2.gz PYODAAVKKWDWQW-UHFFFAOYSA-N 0 3 383.300 3.471 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC[C@@H](O)CN(C)CCC#N ZINC000562985414 566842447 /nfs/dbraw/zinc/84/24/47/566842447.db2.gz RBMBWHONGJXMLL-SUYBPPKGSA-N 0 3 398.370 3.028 20 30 GGEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000562994613 566842642 /nfs/dbraw/zinc/84/26/42/566842642.db2.gz CIUYTQXYYBRYIB-AWEZNQCLSA-N 0 3 378.881 3.042 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cccc(Br)c2)c(F)c1 ZINC000428533414 566851941 /nfs/dbraw/zinc/85/19/41/566851941.db2.gz GZISTXYBDWETJX-HNNXBMFYSA-N 0 3 377.257 3.401 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(I)cc2)CC1 ZINC000518004053 566859334 /nfs/dbraw/zinc/85/93/34/566859334.db2.gz YNIWWENJGSYOFE-UHFFFAOYSA-N 0 3 399.276 3.453 20 30 GGEDHN C=CC[C@@H](CO)CNCc1cc(Br)cc(Br)c1N ZINC000470306100 566862231 /nfs/dbraw/zinc/86/22/31/566862231.db2.gz DNFYRVMPTHZOHO-SECBINFHSA-N 0 3 378.108 3.068 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@@H](CO)CC(F)F)cc1OC ZINC000428645042 566864333 /nfs/dbraw/zinc/86/43/33/566864333.db2.gz BCFFMZPZSLEMKK-LLVKDONJSA-N 0 3 380.229 3.128 20 30 GGEDHN CC(C)N1CCN([C@@H]2CCN(c3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000563428096 566883631 /nfs/dbraw/zinc/88/36/31/566883631.db2.gz TYLWGWMMDAVPQI-OAHLLOKOSA-N 0 3 395.320 3.065 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1nnc(CC)s1 ZINC000680017515 566886655 /nfs/dbraw/zinc/88/66/55/566886655.db2.gz PMVYZESBGQZUBC-UHFFFAOYSA-N 0 3 378.571 3.199 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 ZINC000518624152 566897642 /nfs/dbraw/zinc/89/76/42/566897642.db2.gz CJZJKAZZKDDHOP-IRXDYDNUSA-N 0 3 378.314 3.255 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(F)ccc2Br)cc1 ZINC000470844178 566909103 /nfs/dbraw/zinc/90/91/03/566909103.db2.gz JQYZWPFCDBZUIL-AWEZNQCLSA-N 0 3 386.224 3.459 20 30 GGEDHN Cc1cc(Br)cc(CNC2CCN(CC#N)CC2)c1OC(F)F ZINC000611497891 566922497 /nfs/dbraw/zinc/92/24/97/566922497.db2.gz OGVAVBSGDQHZPM-UHFFFAOYSA-N 0 3 388.256 3.437 20 30 GGEDHN N#CCN1CCC(N[C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000611519317 566923236 /nfs/dbraw/zinc/92/32/36/566923236.db2.gz SPEKWYWWNCXSPI-ROUUACIJSA-N 0 3 378.314 3.247 20 30 GGEDHN C=CCN(C)CCN(CC)Cc1nc(-c2cccc(Br)c2)no1 ZINC000429702373 566946338 /nfs/dbraw/zinc/94/63/38/566946338.db2.gz NSKIRFHGWVJYDQ-UHFFFAOYSA-N 0 3 379.302 3.439 20 30 GGEDHN C=CCN1CC[C@H](NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1=O ZINC000493736703 566954957 /nfs/dbraw/zinc/95/49/57/566954957.db2.gz PEBODPZMNCLDIH-KRWDZBQOSA-N 0 3 383.319 3.418 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000519670773 566956253 /nfs/dbraw/zinc/95/62/53/566956253.db2.gz GVOBIFKBTQJDRW-OAHLLOKOSA-N 0 3 378.263 3.337 20 30 GGEDHN C=CCOCCN1CCC(Oc2ccccc2I)CC1 ZINC000564339544 566966268 /nfs/dbraw/zinc/96/62/68/566966268.db2.gz VVIWNOXEADJCNI-UHFFFAOYSA-N 0 3 387.261 3.337 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000583750910 566979949 /nfs/dbraw/zinc/97/99/49/566979949.db2.gz SKMYZTILFYMZKQ-QGZVFWFLSA-N 0 3 383.323 3.095 20 30 GGEDHN N#CCCC[C@H](N)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000583750909 566980262 /nfs/dbraw/zinc/98/02/62/566980262.db2.gz SKMYZTILFYMZKQ-KRWDZBQOSA-N 0 3 383.323 3.095 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CC=C(c2cccc(Br)c2)CC1 ZINC000520558666 567012251 /nfs/dbraw/zinc/01/22/51/567012251.db2.gz XSENKLXDJBJBCD-UHFFFAOYSA-N 0 3 376.298 3.300 20 30 GGEDHN N#CCCC1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564916334 567019440 /nfs/dbraw/zinc/01/94/40/567019440.db2.gz LPDZQHVJRYWBBP-MRXNPFEDSA-N 0 3 385.277 3.344 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2cccc(Br)c2)cc1 ZINC000472512040 567033017 /nfs/dbraw/zinc/03/30/17/567033017.db2.gz DFZFTDGEEMYFQS-MRXNPFEDSA-N 0 3 397.276 3.231 20 30 GGEDHN N#CC(C(=O)c1ccc(Cl)c(I)c1)c1ccncn1 ZINC000545446328 567050445 /nfs/dbraw/zinc/05/04/45/567050445.db2.gz BBXHOSHVYMFHCV-VIFPVBQESA-N 0 3 383.576 3.225 20 30 GGEDHN N#Cc1cccc(C2(NC[C@@H](O)COc3ccc(Br)cc3)CC2)c1 ZINC000584545066 567051736 /nfs/dbraw/zinc/05/17/36/567051736.db2.gz KDJXHEYQOTYRDQ-QGZVFWFLSA-N 0 3 387.277 3.339 20 30 GGEDHN C[C@H]1COCCN1C1CCN(Cc2cc(C#N)ccc2Br)CC1 ZINC000584538305 567052109 /nfs/dbraw/zinc/05/21/09/567052109.db2.gz LWLYGEXQUGXWAL-AWEZNQCLSA-N 0 3 378.314 3.006 20 30 GGEDHN C[C@@](CO)(NCCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000682528290 567056252 /nfs/dbraw/zinc/05/62/52/567056252.db2.gz VIFDMPRMSWZFQJ-ZDUSSCGKSA-N 0 3 377.300 3.420 20 30 GGEDHN C=CCCn1cc(CNCCCc2ccc(Br)cc2OC)nn1 ZINC000657433312 567057007 /nfs/dbraw/zinc/05/70/07/567057007.db2.gz QAFDRJJJQPXQNW-UHFFFAOYSA-N 0 3 379.302 3.348 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cccc(I)c2C)nc(C)n1 ZINC000473171795 567067917 /nfs/dbraw/zinc/06/79/17/567067917.db2.gz RFTVIAWBFLNBFU-CYBMUJFWSA-N 0 3 391.212 3.497 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000521995671 567092106 /nfs/dbraw/zinc/09/21/06/567092106.db2.gz NOUNGSLCBYMPMM-MRXNPFEDSA-N 0 3 392.293 3.413 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2cnc(C)cn2)cc1OC ZINC000453592144 567095089 /nfs/dbraw/zinc/09/50/89/567095089.db2.gz DHPPBIAYNCWPRW-UHFFFAOYSA-N 0 3 392.297 3.453 20 30 GGEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000566077044 567124448 /nfs/dbraw/zinc/12/44/48/567124448.db2.gz IOUOAXSOLILVSY-MSOLQXFVSA-N 0 3 378.314 3.054 20 30 GGEDHN N#Cc1ccc(Br)c(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000566077045 567124685 /nfs/dbraw/zinc/12/46/85/567124685.db2.gz IOUOAXSOLILVSY-QZTJIDSGSA-N 0 3 378.314 3.054 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(C#N)cc3Br)[C@@H]2C1 ZINC000588979301 567147787 /nfs/dbraw/zinc/14/77/87/567147787.db2.gz KUBGVAWRPJABHF-LZLYRXPVSA-N 0 3 376.298 3.057 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(C#N)ccc3Br)[C@H]2C1 ZINC000588978441 567148016 /nfs/dbraw/zinc/14/80/16/567148016.db2.gz ISGYUJBLOKQMIC-ZVZYQTTQSA-N 0 3 376.298 3.057 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3cc(C#N)ccc3Br)[C@@H]2C1 ZINC000588978438 567148209 /nfs/dbraw/zinc/14/82/09/567148209.db2.gz ISGYUJBLOKQMIC-LESCRADOSA-N 0 3 376.298 3.057 20 30 GGEDHN CN(C)CCOc1ccc(NC(=O)c2ncc(C#N)cc2Cl)cc1Cl ZINC000432332872 567149794 /nfs/dbraw/zinc/14/97/94/567149794.db2.gz CMOPUJVXBMERON-UHFFFAOYSA-N 0 3 379.247 3.453 20 30 GGEDHN Cc1cc(I)cc(C(=O)C(C#N)c2ccncn2)c1C ZINC000546858941 567165116 /nfs/dbraw/zinc/16/51/16/567165116.db2.gz UMGVQHNSYRBWPE-ZDUSSCGKSA-N 0 3 377.185 3.188 20 30 GGEDHN N#Cc1ccc2c(c1)[C@H](NC[C@H](O)COc1ccccc1Br)CC2 ZINC000589341477 567177320 /nfs/dbraw/zinc/17/73/20/567177320.db2.gz KOQVTTNXBAYYEI-MAUKXSAKSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1cc(F)c(N2CCC(CN3CCOCC3)CC2)cc1Br ZINC000567396403 567243356 /nfs/dbraw/zinc/24/33/56/567243356.db2.gz GHOZZRGBGFGLBK-UHFFFAOYSA-N 0 3 382.277 3.008 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC000567701040 567268810 /nfs/dbraw/zinc/26/88/10/567268810.db2.gz YBOXUAMJIKHZOE-YTQUADARSA-N 0 3 387.277 3.206 20 30 GGEDHN CN(Cc1ccccc1)C[C@@H](O)COc1cc(Br)ccc1C#N ZINC000591241486 567269503 /nfs/dbraw/zinc/26/95/03/567269503.db2.gz CPMLWFYATSBJEH-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN CN(Cc1ccccc1)C[C@H](O)COc1cc(Br)ccc1C#N ZINC000591241485 567270201 /nfs/dbraw/zinc/27/02/01/567270201.db2.gz CPMLWFYATSBJEH-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COc1ccc(Br)cc1 ZINC000591763806 567294828 /nfs/dbraw/zinc/29/48/28/567294828.db2.gz KEEMZNQXNJOKBY-LPHOPBHVSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@H](O)COc1cccc(Br)c1 ZINC000591763925 567295427 /nfs/dbraw/zinc/29/54/27/567295427.db2.gz REWRNKPIUVBCSJ-LPHOPBHVSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COc1ccc(Br)cc1 ZINC000591763807 567295579 /nfs/dbraw/zinc/29/55/79/567295579.db2.gz KEEMZNQXNJOKBY-QFBILLFUSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc(CNC[C@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000591770946 567296815 /nfs/dbraw/zinc/29/68/15/567296815.db2.gz PZIGIHXHQWOQOH-LBPRGKRZSA-N 0 3 385.258 3.051 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000660598380 567311542 /nfs/dbraw/zinc/31/15/42/567311542.db2.gz XOCCZPNGBPOIKG-INIZCTEOSA-N 0 3 386.323 3.367 20 30 GGEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000500945554 567354791 /nfs/dbraw/zinc/35/47/91/567354791.db2.gz OLBRTJGZNZINKM-HNNXBMFYSA-N 0 3 383.330 3.321 20 30 GGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2N2CCOCC2)c(Br)c1 ZINC000618308101 567369844 /nfs/dbraw/zinc/36/98/44/567369844.db2.gz QJEWKRANLZYKLS-MSOLQXFVSA-N 0 3 378.314 3.054 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2CCc3c2cccc3Br)cc1 ZINC000569803099 567432523 /nfs/dbraw/zinc/43/25/23/567432523.db2.gz CGYXRICTFJMBAA-IFXJQAMLSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@H]2CCc3c2cccc3Br)cc1 ZINC000569803101 567433249 /nfs/dbraw/zinc/43/32/49/567433249.db2.gz CGYXRICTFJMBAA-LIRRHRJNSA-N 0 3 387.277 3.338 20 30 GGEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1Br ZINC000528916695 567468897 /nfs/dbraw/zinc/46/88/97/567468897.db2.gz FCYFKBNZOXPELN-HNNXBMFYSA-N 0 3 377.282 3.458 20 30 GGEDHN Cc1nn(-c2ccccc2Br)cc1CNC1CCN(CC#N)CC1 ZINC000594497735 567481740 /nfs/dbraw/zinc/48/17/40/567481740.db2.gz FAIQOTKBFUAFPV-UHFFFAOYSA-N 0 3 388.313 3.021 20 30 GGEDHN C=CCOCC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000570560792 567494795 /nfs/dbraw/zinc/49/47/95/567494795.db2.gz LZBBQIWUXJJYDN-UHFFFAOYSA-N 0 3 381.314 3.075 20 30 GGEDHN C=C(C)CN1CCC(NCc2ccc(C(=O)OC)cc2Br)CC1 ZINC000551529975 567514347 /nfs/dbraw/zinc/51/43/47/567514347.db2.gz MLULINVLEZSORD-UHFFFAOYSA-N 0 3 381.314 3.366 20 30 GGEDHN CC(C)(CCC#N)CNCC(=O)Nc1ccc(I)cc1 ZINC000551587579 567521647 /nfs/dbraw/zinc/52/16/47/567521647.db2.gz CLXHFGGNSLHVHB-UHFFFAOYSA-N 0 3 385.249 3.149 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)Cc1ncc(Br)cc1F ZINC000529566910 567532480 /nfs/dbraw/zinc/53/24/80/567532480.db2.gz QXZXVKJQWGHQNG-UHFFFAOYSA-N 0 3 391.288 3.419 20 30 GGEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCCNC(=O)c1ccc(Br)cn1 ZINC000595056128 567538899 /nfs/dbraw/zinc/53/88/99/567538899.db2.gz AVAOTHAZDIAJKA-QGZVFWFLSA-N 0 3 399.292 3.113 20 30 GGEDHN CC[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1ccc(C#N)cc1 ZINC000595056585 567539487 /nfs/dbraw/zinc/53/94/87/567539487.db2.gz MMTALAHPEMZZGI-MRXNPFEDSA-N 0 3 387.281 3.186 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000664019192 567548457 /nfs/dbraw/zinc/54/84/57/567548457.db2.gz IOXZGPCXAYXSAQ-MRXNPFEDSA-N 0 3 386.323 3.319 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)CC1 ZINC000664019971 567548471 /nfs/dbraw/zinc/54/84/71/567548471.db2.gz PEHYFMCFLRHZAM-UHFFFAOYSA-N 0 3 384.307 3.416 20 30 GGEDHN CN(Cc1cccc(C#N)c1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438840668 567550346 /nfs/dbraw/zinc/55/03/46/567550346.db2.gz NUKRZDPFJCDCOA-KRWDZBQOSA-N 0 3 393.256 3.332 20 30 GGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000438844949 567550931 /nfs/dbraw/zinc/55/09/31/567550931.db2.gz ZOYLZGAQAXQIJZ-KRWDZBQOSA-N 0 3 393.256 3.332 20 30 GGEDHN C=CCN(C)CCN(CC)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000439011591 567562162 /nfs/dbraw/zinc/56/21/62/567562162.db2.gz ZNGKWBWGAYDSRO-UHFFFAOYSA-N 0 3 390.272 3.106 20 30 GGEDHN N#Cc1cc(Br)ccc1CN1CCC[C@H](N2CCOCC2)CC1 ZINC000595471441 567567006 /nfs/dbraw/zinc/56/70/06/567567006.db2.gz AUWMIFZMUZIOJO-SFHVURJKSA-N 0 3 378.314 3.007 20 30 GGEDHN CN(CCC#N)C[C@@H](O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000571551291 567570919 /nfs/dbraw/zinc/57/09/19/567570919.db2.gz GGRYAVQCVSOIGO-ROUUACIJSA-N 0 3 380.330 3.086 20 30 GGEDHN N#Cc1ccccc1OC[C@@H](O)CN[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000530234045 567586330 /nfs/dbraw/zinc/58/63/30/567586330.db2.gz LSYTWBSDMCANIL-OKZBNKHCSA-N 0 3 387.277 3.206 20 30 GGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000530234043 567586419 /nfs/dbraw/zinc/58/64/19/567586419.db2.gz LSYTWBSDMCANIL-FGTMMUONSA-N 0 3 387.277 3.206 20 30 GGEDHN Cc1cc(Br)ccc1NC(=O)CCNCc1cc(C#N)n(C)c1 ZINC000480372690 567599759 /nfs/dbraw/zinc/59/97/59/567599759.db2.gz SKINYPMYZCQBDG-UHFFFAOYSA-N 0 3 375.270 3.086 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCc2nc3cc(Cl)ccc3s2)CC1 ZINC000531022951 567637381 /nfs/dbraw/zinc/63/73/81/567637381.db2.gz DHNJJEYMMLRMRO-UHFFFAOYSA-N 0 3 378.929 3.442 20 30 GGEDHN N#Cc1csc(CNC[C@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459702921 567651221 /nfs/dbraw/zinc/65/12/21/567651221.db2.gz OMLSQPOOMXFKCH-CYBMUJFWSA-N 0 3 383.286 3.462 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)c2cccs2)cc1 ZINC000481052483 567654073 /nfs/dbraw/zinc/65/40/73/567654073.db2.gz INWZMOBWTHYATK-GFCCVEGCSA-N 0 3 377.491 3.491 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000459720386 567654929 /nfs/dbraw/zinc/65/49/29/567654929.db2.gz UUHXIRKYKJYTCH-HNNXBMFYSA-N 0 3 392.297 3.492 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000459720388 567654944 /nfs/dbraw/zinc/65/49/44/567654944.db2.gz UUHXIRKYKJYTCH-OAHLLOKOSA-N 0 3 392.297 3.492 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)Nc1ccncc1Br)C(C)C ZINC000507230511 567668938 /nfs/dbraw/zinc/66/89/38/567668938.db2.gz IAEKWCQBQBXJLL-MRXNPFEDSA-N 0 3 381.318 3.086 20 30 GGEDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@H](C)c1cccc(C#N)c1 ZINC000507245240 567669770 /nfs/dbraw/zinc/66/97/70/567669770.db2.gz XIPXIXZNAVTMPV-CQSZACIVSA-N 0 3 377.897 3.149 20 30 GGEDHN Cc1nc(NC(=O)C(Oc2ccccc2)C(C)(C)O)sc1SCC#N ZINC000597047815 567678764 /nfs/dbraw/zinc/67/87/64/567678764.db2.gz UJMHQSOZWWJVMS-ZDUSSCGKSA-N 0 3 377.491 3.224 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cc(F)c(F)cc2Br)CC1 ZINC000553921007 567699593 /nfs/dbraw/zinc/69/95/93/567699593.db2.gz GTNKVSOAGNYBGR-UHFFFAOYSA-N 0 3 388.256 3.177 20 30 GGEDHN CC(C)(CN[C@@H]1CC[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771614 567708608 /nfs/dbraw/zinc/70/86/08/567708608.db2.gz UHOVTOGJZWHKJQ-GXTWGEPZSA-N 0 3 385.327 3.283 20 30 GGEDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094208 567731661 /nfs/dbraw/zinc/73/16/61/567731661.db2.gz CIVXZSSCMDKSIL-GASCZTMLSA-N 0 3 383.945 3.248 20 30 GGEDHN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094208 567731665 /nfs/dbraw/zinc/73/16/65/567731665.db2.gz CIVXZSSCMDKSIL-GASCZTMLSA-N 0 3 383.945 3.248 20 30 GGEDHN CC(C#N)C(=O)N(C)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000443381277 567753943 /nfs/dbraw/zinc/75/39/43/567753943.db2.gz IZIUEKROTUGGNC-TZMCWYRMSA-N 0 3 381.270 3.125 20 30 GGEDHN CC(C#N)C(=O)N(C)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000443381276 567753959 /nfs/dbraw/zinc/75/39/59/567753959.db2.gz IZIUEKROTUGGNC-OCCSQVGLSA-N 0 3 381.270 3.125 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 ZINC000462045236 567762245 /nfs/dbraw/zinc/76/22/45/567762245.db2.gz BQRMZKMAONYQJT-UHFFFAOYSA-N 0 3 395.297 3.006 20 30 GGEDHN C[C@H](C#N)CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000555196731 567773631 /nfs/dbraw/zinc/77/36/31/567773631.db2.gz DDZLTQOTXZGRFG-CQSZACIVSA-N 0 3 393.329 3.215 20 30 GGEDHN C[C@@H](C#N)CNC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000555196730 567774265 /nfs/dbraw/zinc/77/42/65/567774265.db2.gz DDZLTQOTXZGRFG-AWEZNQCLSA-N 0 3 393.329 3.215 20 30 GGEDHN C=CCOc1cccc(CNCCNS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000533563020 567775406 /nfs/dbraw/zinc/77/54/06/567775406.db2.gz AYTIDBNELMRRPT-UHFFFAOYSA-N 0 3 386.926 3.034 20 30 GGEDHN COC(=O)C[C@@](C)(NC[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617450 567780104 /nfs/dbraw/zinc/78/01/04/567780104.db2.gz ROAOKIPJWKXCOJ-MAUKXSAKSA-N 0 3 397.313 3.118 20 30 GGEDHN Cc1cc(CNC[C@H](O)COc2ccccc2Br)ccc1C#N ZINC000444000460 567784527 /nfs/dbraw/zinc/78/45/27/567784527.db2.gz DYBXWVAHVZWTBC-INIZCTEOSA-N 0 3 375.266 3.159 20 30 GGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(Cl)cc(I)c1 ZINC000598726593 567785884 /nfs/dbraw/zinc/78/58/84/567785884.db2.gz UNFKXQUNZHKFES-CYBMUJFWSA-N 0 3 392.668 3.335 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2ncc(C)cn2)cc1OC ZINC000533920995 567793935 /nfs/dbraw/zinc/79/39/35/567793935.db2.gz JZOVPMUMQRKZFI-UHFFFAOYSA-N 0 3 392.297 3.453 20 30 GGEDHN C=CCN1CCC(NC(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 ZINC000668368771 567808123 /nfs/dbraw/zinc/80/81/23/567808123.db2.gz GJZZCOVUDPWRAQ-UHFFFAOYSA-N 0 3 381.314 3.373 20 30 GGEDHN CCOC(=O)c1cnn2c1[nH]c(CN(CC)[C@H](C)c1ccc(C#N)cc1)cc2=O ZINC000103427204 570884993 /nfs/dbraw/zinc/88/49/93/570884993.db2.gz NTBMFRPSKBZROU-CQSZACIVSA-N 0 3 393.447 3.066 20 30 GGEDHN Cn1nnc2cc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 ZINC000103798989 570888897 /nfs/dbraw/zinc/88/88/97/570888897.db2.gz KHSHYFOFTBHHGL-LLVKDONJSA-N 0 3 388.214 3.236 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000047011176 570937841 /nfs/dbraw/zinc/93/78/41/570937841.db2.gz ALPGXXPIOIJDPR-HXUWFJFHSA-N 0 3 383.879 3.106 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000047011174 570938076 /nfs/dbraw/zinc/93/80/76/570938076.db2.gz ALPGXXPIOIJDPR-FQEVSTJZSA-N 0 3 383.879 3.106 20 30 GGEDHN C=CC[N@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735425757 599130347 /nfs/dbraw/zinc/13/03/47/599130347.db2.gz FKYGFVALFDDKRP-KRWDZBQOSA-N 0 3 398.511 3.112 20 30 GGEDHN C=CC[N@@H+](Cc1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735425757 599130348 /nfs/dbraw/zinc/13/03/48/599130348.db2.gz FKYGFVALFDDKRP-KRWDZBQOSA-N 0 3 398.511 3.112 20 30 GGEDHN C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735425757 599130350 /nfs/dbraw/zinc/13/03/50/599130350.db2.gz FKYGFVALFDDKRP-KRWDZBQOSA-N 0 3 398.511 3.112 20 30 GGEDHN C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000735425757 599130352 /nfs/dbraw/zinc/13/03/52/599130352.db2.gz FKYGFVALFDDKRP-KRWDZBQOSA-N 0 3 398.511 3.112 20 30 GGEDHN C=CCOc1ccc(C[NH2+]CCSCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735436778 598362058 /nfs/dbraw/zinc/36/20/58/598362058.db2.gz QVCTYZJNYODRGS-UHFFFAOYSA-N 0 3 381.505 3.455 20 30 GGEDHN C=CCOc1ccc(C[NH2+]CCSCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735436778 598362059 /nfs/dbraw/zinc/36/20/59/598362059.db2.gz QVCTYZJNYODRGS-UHFFFAOYSA-N 0 3 381.505 3.455 20 30 GGEDHN COc1ccc(CN2CCC(C[NH2+][C@@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738004990 600596550 /nfs/dbraw/zinc/59/65/50/600596550.db2.gz YXZDAYHIDBSPKX-JOCHJYFZSA-N 0 3 393.487 3.194 20 30 GGEDHN COc1ccc(CN2CCC(C[NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832315388 601303194 /nfs/dbraw/zinc/30/31/94/601303194.db2.gz YGZRYBBBVKWVOL-JOCHJYFZSA-N 0 3 393.487 3.194 20 30 GGEDHN C=CCOc1ccc(C[NH2+]Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1Cl ZINC000823932082 607566748 /nfs/dbraw/zinc/56/67/48/607566748.db2.gz NKBAYVPUNJIREP-UHFFFAOYSA-N 0 3 385.855 3.383 20 30 GGEDHN N#CC1(c2ccccc2)CCC([NH2+]CCOc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380889 608280746 /nfs/dbraw/zinc/28/07/46/608280746.db2.gz PNWRSQCRNNNPLS-UHFFFAOYSA-N 0 3 388.475 3.239 20 30 GGEDHN N#CC1(c2ccccc2)CCC([NH2+]CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380889 608280748 /nfs/dbraw/zinc/28/07/48/608280748.db2.gz PNWRSQCRNNNPLS-UHFFFAOYSA-N 0 3 388.475 3.239 20 30 GGEDHN C=CCOc1cccc(CN2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000823932416 608680041 /nfs/dbraw/zinc/68/00/41/608680041.db2.gz XOFCBKAJZGGSQZ-UHFFFAOYSA-N 0 3 391.475 3.475 20 30 GGEDHN N#Cc1ccc(OCCN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000053049293 1406272914 /nfs/dbraw/zinc/27/29/14/1406272914.db2.gz PWVCDSSVLOFKRV-UHFFFAOYSA-N 0 3 381.451 3.105 20 30 GGEDHN C=CCOc1ccccc1C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000053996858 1406583181 /nfs/dbraw/zinc/58/31/81/1406583181.db2.gz HWCHEJHCRMILCF-UHFFFAOYSA-N 0 3 393.487 3.201 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000054338141 1406696238 /nfs/dbraw/zinc/69/62/38/1406696238.db2.gz XDHKMEDUSKIHGP-JTHBVZDNSA-N 0 3 380.488 3.174 20 30 GGEDHN CCOc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000054605071 1406781436 /nfs/dbraw/zinc/78/14/36/1406781436.db2.gz RQTAOWWCLJWAHT-UHFFFAOYSA-N 0 3 380.492 3.230 20 30 GGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN2CCN(CC(C)C)CC2)c1C#N ZINC000054610364 1406783946 /nfs/dbraw/zinc/78/39/46/1406783946.db2.gz OAOZPNZVUCODDX-UHFFFAOYSA-N 0 3 393.535 3.178 20 30 GGEDHN COc1ccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000010745150 1398916854 /nfs/dbraw/zinc/91/68/54/1398916854.db2.gz IJAFRMPDEBUJEN-JOCHJYFZSA-N 0 3 377.488 3.453 20 30 GGEDHN COCCn1c2ccccc2nc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000020052234 1399341664 /nfs/dbraw/zinc/34/16/64/1399341664.db2.gz SRPXYTLYAZSEHE-CYBMUJFWSA-N 0 3 386.502 3.416 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000022983171 1399521155 /nfs/dbraw/zinc/52/11/55/1399521155.db2.gz MMDYQZQYSDIRGY-UHFFFAOYSA-N 0 3 386.496 3.295 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)cc1 ZINC000023451180 1399562052 /nfs/dbraw/zinc/56/20/52/1399562052.db2.gz MXTWXVWHUVJKIU-UHFFFAOYSA-N 0 3 385.471 3.296 20 30 GGEDHN COc1ccc(C(=O)C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000025061401 1399730103 /nfs/dbraw/zinc/73/01/03/1399730103.db2.gz KXSBLYFSXCLZFP-UHFFFAOYSA-N 0 3 391.471 3.490 20 30 GGEDHN Cc1ccc(C)c(OC[C@@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303973 1399793871 /nfs/dbraw/zinc/79/38/71/1399793871.db2.gz UWFACWOLJJESNP-QHCPKHFHSA-N 0 3 393.531 3.123 20 30 GGEDHN Cc1ccc(OC[C@@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000025303987 1399794319 /nfs/dbraw/zinc/79/43/19/1399794319.db2.gz GCIIGLIYGCTKBJ-QHCPKHFHSA-N 0 3 393.531 3.123 20 30 GGEDHN Cc1ccc(C)c(OC[C@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000025303977 1399794380 /nfs/dbraw/zinc/79/43/80/1399794380.db2.gz UWFACWOLJJESNP-HSZRJFAPSA-N 0 3 393.531 3.123 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000025368894 1399803353 /nfs/dbraw/zinc/80/33/53/1399803353.db2.gz HDIASFNYMPLHKK-SFHVURJKSA-N 0 3 385.460 3.024 20 30 GGEDHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867252 1399842595 /nfs/dbraw/zinc/84/25/95/1399842595.db2.gz VBBGCSMLFDCXAB-QGZVFWFLSA-N 0 3 376.403 3.226 20 30 GGEDHN CC(C)Cn1nnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000026117396 1399861498 /nfs/dbraw/zinc/86/14/98/1399861498.db2.gz VDDMXQMCINSKGO-CQSZACIVSA-N 0 3 398.517 3.421 20 30 GGEDHN COc1cccc([C@@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCCC2)c1 ZINC000027342613 1400022439 /nfs/dbraw/zinc/02/24/39/1400022439.db2.gz CSXHOVKDMHMBFT-JOCHJYFZSA-N 0 3 377.488 3.453 20 30 GGEDHN COc1cccc([C@H](CNC(=O)CCc2ccc(C#N)cc2)N2CCCC2)c1 ZINC000027342616 1400023009 /nfs/dbraw/zinc/02/30/09/1400023009.db2.gz CSXHOVKDMHMBFT-QFIPXVFZSA-N 0 3 377.488 3.453 20 30 GGEDHN C=CCc1cc(C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc(OC)c1OC ZINC000027587101 1400062781 /nfs/dbraw/zinc/06/27/81/1400062781.db2.gz ANHZAMGZEFGIIA-FQEVSTJZSA-N 0 3 382.504 3.335 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000028843066 1400202689 /nfs/dbraw/zinc/20/26/89/1400202689.db2.gz JLZBASYWNBSKII-UHFFFAOYSA-N 0 3 382.895 3.358 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000028893464 1400208051 /nfs/dbraw/zinc/20/80/51/1400208051.db2.gz BNMFEVBKBABYND-UHFFFAOYSA-N 0 3 396.922 3.401 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922057 1400211682 /nfs/dbraw/zinc/21/16/82/1400211682.db2.gz PDLSJDFCKZBPMX-ZBFHGGJFSA-N 0 3 376.403 3.445 20 30 GGEDHN Cc1cccc(C(=O)N2CCCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000029851644 1400364036 /nfs/dbraw/zinc/36/40/36/1400364036.db2.gz BSNDPMCKTNGWQV-UHFFFAOYSA-N 0 3 390.487 3.043 20 30 GGEDHN CCN1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccccc3C#N)c(C)c2)CC1 ZINC000056170227 1407238373 /nfs/dbraw/zinc/23/83/73/1407238373.db2.gz MLECBXAJIILTCN-GOSISDBHSA-N 0 3 391.519 3.448 20 30 GGEDHN CN1CCN(CCCNC(=O)Nc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000043329541 1403748366 /nfs/dbraw/zinc/74/83/66/1403748366.db2.gz BYFKESIRMGLZCP-NRFANRHFSA-N 0 3 377.492 3.059 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)NCc3cccc(C#N)c3)c(C)c2)CC1 ZINC000043522558 1403779294 /nfs/dbraw/zinc/77/92/94/1403779294.db2.gz BXGXLOTYCKCDPA-UHFFFAOYSA-N 0 3 377.492 3.330 20 30 GGEDHN CC(=O)Nc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000044566371 1403951345 /nfs/dbraw/zinc/95/13/45/1403951345.db2.gz PRUIHXBBVSTEIN-UHFFFAOYSA-N 0 3 378.476 3.029 20 30 GGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000045004543 1404035500 /nfs/dbraw/zinc/03/55/00/1404035500.db2.gz PNLZIWTZLGGXFU-ICSRJNTNSA-N 0 3 382.460 3.152 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2)CC1 ZINC000045376845 1404109891 /nfs/dbraw/zinc/10/98/91/1404109891.db2.gz ILTHIAOBPYVXIP-UHFFFAOYSA-N 0 3 376.504 3.363 20 30 GGEDHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCN(C2CCCC2)CC1 ZINC000045432805 1404120912 /nfs/dbraw/zinc/12/09/12/1404120912.db2.gz BEBJYAKGQMWGRP-UHFFFAOYSA-N 0 3 379.426 3.327 20 30 GGEDHN C=CCN(Cc1ccccc1)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000045782435 1404202937 /nfs/dbraw/zinc/20/29/37/1404202937.db2.gz VMDSNQIDTBPBOU-UHFFFAOYSA-N 0 3 392.547 3.332 20 30 GGEDHN C=CCN(Cc1cccs1)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000045782829 1404203702 /nfs/dbraw/zinc/20/37/02/1404203702.db2.gz RYZXPJGCZJNDKN-UHFFFAOYSA-N 0 3 398.576 3.393 20 30 GGEDHN N#CC(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccn1 ZINC000046440032 1404415870 /nfs/dbraw/zinc/41/58/70/1404415870.db2.gz MQRSTBKJGUYIHJ-LJQANCHMSA-N 0 3 397.500 3.065 20 30 GGEDHN CC(C)Oc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000046824968 1404604290 /nfs/dbraw/zinc/60/42/90/1404604290.db2.gz GUTFCGHCGHAFLZ-UHFFFAOYSA-N 0 3 395.507 3.014 20 30 GGEDHN C[C@H]1CCCC[C@H]1OCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046830676 1404606253 /nfs/dbraw/zinc/60/62/53/1404606253.db2.gz KNQHYBVYXZNUNG-GHTZIAJQSA-N 0 3 386.540 3.227 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1ccc(F)cc1 ZINC000047010328 1404673576 /nfs/dbraw/zinc/67/35/76/1404673576.db2.gz ZTUHIJONVGFUDD-UHFFFAOYSA-N 0 3 383.467 3.447 20 30 GGEDHN COc1cc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC000047011235 1404673769 /nfs/dbraw/zinc/67/37/69/1404673769.db2.gz WOVKMKFQQIQHSB-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN Cc1ccn(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000047011539 1404673968 /nfs/dbraw/zinc/67/39/68/1404673968.db2.gz YBXRBWVFSSBHCX-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047010593 1404674539 /nfs/dbraw/zinc/67/45/39/1404674539.db2.gz GKKPJIQPYLJQHZ-UHFFFAOYSA-N 0 3 381.476 3.170 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000047011577 1404674748 /nfs/dbraw/zinc/67/47/48/1404674748.db2.gz GHTRHHQQUOAAGK-UHFFFAOYSA-N 0 3 391.450 3.291 20 30 GGEDHN Cc1nc2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2nc1C ZINC000047011774 1404675689 /nfs/dbraw/zinc/67/56/89/1404675689.db2.gz PPOGRQUJUSTSQZ-UHFFFAOYSA-N 0 3 387.487 3.322 20 30 GGEDHN CCN1CCN(Cc2ccc(CNc3ccc(C#N)cc3[N+](=O)[O-])cc2)CC1 ZINC000047272519 1404780305 /nfs/dbraw/zinc/78/03/05/1404780305.db2.gz JLLWGXHYHCTUSL-UHFFFAOYSA-N 0 3 379.464 3.216 20 30 GGEDHN N#CC(C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 ZINC000047359054 1404815854 /nfs/dbraw/zinc/81/58/54/1404815854.db2.gz WVHCJBJRTUXAOD-CQSZACIVSA-N 0 3 375.384 3.173 20 30 GGEDHN COc1ccc([C@@H](CNC(=O)NCc2ccc(C#N)cc2)N2CCCC2)cc1 ZINC000047748620 1404919812 /nfs/dbraw/zinc/91/98/12/1404919812.db2.gz FKLYDWKYUDHFFV-OAQYLSRUSA-N 0 3 378.476 3.203 20 30 GGEDHN N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000047960257 1405010055 /nfs/dbraw/zinc/01/00/55/1405010055.db2.gz QKYRSJFXMSCUOQ-OAQYLSRUSA-N 0 3 394.544 3.365 20 30 GGEDHN COc1cccc([C@@H](CNC(=O)NCc2cccc(C#N)c2)N2CCCC2)c1 ZINC000047986267 1405018565 /nfs/dbraw/zinc/01/85/65/1405018565.db2.gz YUQJOROFWUNEMR-OAQYLSRUSA-N 0 3 378.476 3.203 20 30 GGEDHN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000048787846 1405293408 /nfs/dbraw/zinc/29/34/08/1405293408.db2.gz BUYDLGHILIRYDM-JKSUJKDBSA-N 0 3 388.468 3.435 20 30 GGEDHN N#CC(C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 ZINC000048813362 1405297073 /nfs/dbraw/zinc/29/70/73/1405297073.db2.gz SOQURHIYLWYVNY-QGZVFWFLSA-N 0 3 393.468 3.092 20 30 GGEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392287 1405375117 /nfs/dbraw/zinc/37/51/17/1405375117.db2.gz WLKQYSHBNCVDMG-KRWDZBQOSA-N 0 3 388.431 3.475 20 30 GGEDHN N#CC(C(=O)c1ccc(-n2cccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393262 1405376069 /nfs/dbraw/zinc/37/60/69/1405376069.db2.gz GPGSKLKEXWMIQC-SFHVURJKSA-N 0 3 395.426 3.478 20 30 GGEDHN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050683523 1405624007 /nfs/dbraw/zinc/62/40/07/1405624007.db2.gz MRSZGLAYGZSZEE-FQEVSTJZSA-N 0 3 396.466 3.329 20 30 GGEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000050681889 1405624089 /nfs/dbraw/zinc/62/40/89/1405624089.db2.gz ARLFJTMLBWWTQL-ZWKOTPCHSA-N 0 3 389.883 3.065 20 30 GGEDHN N#CC(C(=O)CCC(=O)CCC(=O)c1cccs1)C(=O)NC1CCCCC1 ZINC000050684909 1405624353 /nfs/dbraw/zinc/62/43/53/1405624353.db2.gz OONYAJMZEUZIOT-INIZCTEOSA-N 0 3 388.489 3.218 20 30 GGEDHN COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cc1OC ZINC000051283557 1405775149 /nfs/dbraw/zinc/77/51/49/1405775149.db2.gz JYGFOLCSVLWZGP-FPOVZHCZSA-N 0 3 396.487 3.347 20 30 GGEDHN Cc1ccccc1CN1CCCN(C(=O)CN(C)Cc2cccc(C#N)c2)CC1 ZINC000051400938 1405804850 /nfs/dbraw/zinc/80/48/50/1405804850.db2.gz YNTSXDHBJZLQGR-UHFFFAOYSA-N 0 3 390.531 3.033 20 30 GGEDHN Cc1ccc(CN2CCCN(C(=O)CN(C)Cc3cccc(C#N)c3)CC2)cc1 ZINC000051400951 1405804917 /nfs/dbraw/zinc/80/49/17/1405804917.db2.gz MOCVWLMMSZDGMB-UHFFFAOYSA-N 0 3 390.531 3.033 20 30 GGEDHN Cc1ccccc1CN1CCCN(C(=O)CN(C)Cc2ccc(C#N)cc2)CC1 ZINC000051401113 1405805022 /nfs/dbraw/zinc/80/50/22/1405805022.db2.gz YDUXQLWNOOLKJO-UHFFFAOYSA-N 0 3 390.531 3.033 20 30 GGEDHN CCCN(C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000051688157 1405849586 /nfs/dbraw/zinc/84/95/86/1405849586.db2.gz CUBUUNJPGCESLC-PZJWPPBQSA-N 0 3 396.487 3.044 20 30 GGEDHN CC(C)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000052660752 1406110504 /nfs/dbraw/zinc/11/05/04/1406110504.db2.gz SNGIGPWZOWNATF-MRXNPFEDSA-N 0 3 388.581 3.489 20 30 GGEDHN N#CCc1cccc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000057114161 1407522192 /nfs/dbraw/zinc/52/21/92/1407522192.db2.gz AYJDPMLKTDNOAM-UHFFFAOYSA-N 0 3 376.504 3.085 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000057172652 1407544622 /nfs/dbraw/zinc/54/46/22/1407544622.db2.gz PVZBNJKFONIZGL-QGZVFWFLSA-N 0 3 384.524 3.083 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000057631009 1407671333 /nfs/dbraw/zinc/67/13/33/1407671333.db2.gz NLXFZKAKBILRRC-QFIPXVFZSA-N 0 3 394.519 3.328 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000058452821 1407831254 /nfs/dbraw/zinc/83/12/54/1407831254.db2.gz CTOJWGZMHYQBHU-QFIPXVFZSA-N 0 3 391.519 3.367 20 30 GGEDHN COc1cc(CN(C)C[C@H](O)COc2ccc(CC#N)cc2)ccc1SC ZINC000058528326 1407840799 /nfs/dbraw/zinc/84/07/99/1407840799.db2.gz ZMEFGHDQWYJCRB-SFHVURJKSA-N 0 3 386.517 3.355 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000060489650 1407988601 /nfs/dbraw/zinc/98/86/01/1407988601.db2.gz ZWPPTSYEEUHTCE-IBGZPJMESA-N 0 3 381.476 3.145 20 30 GGEDHN COc1ccc(CCCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000061160654 1408085176 /nfs/dbraw/zinc/08/51/76/1408085176.db2.gz CLJANEPNVCCVHS-UHFFFAOYSA-N 0 3 379.504 3.480 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1cccc(OCC#N)c1 ZINC000062394409 1408249278 /nfs/dbraw/zinc/24/92/78/1408249278.db2.gz DHXAJQUIFLXJHL-UHFFFAOYSA-N 0 3 388.418 3.463 20 30 GGEDHN COCCN(CCC(=O)N1CCc2sccc2C1)Cc1ccc(C#N)cc1 ZINC000063753468 1408400718 /nfs/dbraw/zinc/40/07/18/1408400718.db2.gz ZKBBGDPVNMJBQG-UHFFFAOYSA-N 0 3 383.517 3.043 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000176501656 1428342182 /nfs/dbraw/zinc/34/21/82/1428342182.db2.gz PDJWIKMIMVZEKL-CQSZACIVSA-N 0 3 387.459 3.276 20 30 GGEDHN Cc1nc(SCC(=O)NCCN(C)Cc2ccccc2)c(C#N)c(C)c1C ZINC000065834243 1408737903 /nfs/dbraw/zinc/73/79/03/1408737903.db2.gz QENSAONIJQIJHC-UHFFFAOYSA-N 0 3 382.533 3.219 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1cccc(F)c1 ZINC000065930285 1408755828 /nfs/dbraw/zinc/75/58/28/1408755828.db2.gz OLBYNGBSSUAPFX-UHFFFAOYSA-N 0 3 383.467 3.447 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000065930214 1408755857 /nfs/dbraw/zinc/75/58/57/1408755857.db2.gz VQMZOSBPFVGTLV-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCSCc1ccccn1 ZINC000065930370 1408755924 /nfs/dbraw/zinc/75/59/24/1408755924.db2.gz ZVFSAOIFRJZKHU-UHFFFAOYSA-N 0 3 382.533 3.167 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000065930514 1408756120 /nfs/dbraw/zinc/75/61/20/1408756120.db2.gz DTTPENUBIPQARJ-UHFFFAOYSA-N 0 3 397.523 3.152 20 30 GGEDHN Cc1cnn(-c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)c1 ZINC000065930426 1408756217 /nfs/dbraw/zinc/75/62/17/1408756217.db2.gz HYJDYIJKNVTZOS-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CC1=NN(c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)CC1 ZINC000065930503 1408756425 /nfs/dbraw/zinc/75/64/25/1408756425.db2.gz USHQUCXMSYQKLU-UHFFFAOYSA-N 0 3 389.503 3.348 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000065930948 1408756465 /nfs/dbraw/zinc/75/64/65/1408756465.db2.gz XIWCORCBUIWICD-IBGZPJMESA-N 0 3 397.906 3.353 20 30 GGEDHN CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065930809 1408756534 /nfs/dbraw/zinc/75/65/34/1408756534.db2.gz KASCJNJVDXRTBG-UHFFFAOYSA-N 0 3 381.476 3.170 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000065930889 1408756544 /nfs/dbraw/zinc/75/65/44/1408756544.db2.gz CAZDQZXGOCOCNN-UHFFFAOYSA-N 0 3 391.431 3.152 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000065930578 1408756568 /nfs/dbraw/zinc/75/65/68/1408756568.db2.gz MCJBDJJYHXNVDN-UHFFFAOYSA-N 0 3 386.499 3.482 20 30 GGEDHN COc1cc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(OC)c1 ZINC000065930967 1408756578 /nfs/dbraw/zinc/75/65/78/1408756578.db2.gz DEBVTSFNRXYHGA-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066410390 1408832679 /nfs/dbraw/zinc/83/26/79/1408832679.db2.gz UWKLJPXGKXKEJW-QHCPKHFHSA-N 0 3 388.515 3.305 20 30 GGEDHN C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545182 1408855762 /nfs/dbraw/zinc/85/57/62/1408855762.db2.gz DMYQVVYMPDCLSA-LRDDRELGSA-N 0 3 390.424 3.270 20 30 GGEDHN COC(=O)[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000066835222 1408924843 /nfs/dbraw/zinc/92/48/43/1408924843.db2.gz IAZWKURUFATWQE-CQSZACIVSA-N 0 3 389.521 3.102 20 30 GGEDHN C#CCN1CCC(C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)CC1 ZINC000066922296 1408952451 /nfs/dbraw/zinc/95/24/51/1408952451.db2.gz PMQJRHFQKANJQS-UHFFFAOYSA-N 0 3 382.504 3.079 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2C)CC1 ZINC000067207149 1409042313 /nfs/dbraw/zinc/04/23/13/1409042313.db2.gz QHKAUEBCNZWEEQ-HDICACEKSA-N 0 3 395.547 3.397 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cccc(OCC)c2OC(F)F)CC1 ZINC000176586367 1428371783 /nfs/dbraw/zinc/37/17/83/1428371783.db2.gz XSZNADAZFLPHHI-UHFFFAOYSA-N 0 3 383.439 3.136 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)CC1 ZINC000067707637 1409211142 /nfs/dbraw/zinc/21/11/42/1409211142.db2.gz WIWMIWKWEHZGSH-UHFFFAOYSA-N 0 3 384.398 3.014 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000067709616 1409212679 /nfs/dbraw/zinc/21/26/79/1409212679.db2.gz XQYOHSZHPDOPKN-HDICACEKSA-N 0 3 381.520 3.088 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(-n3nccc3C)cc2)n1 ZINC000067895598 1409250828 /nfs/dbraw/zinc/25/08/28/1409250828.db2.gz DIAWBZBKZYLXGW-OAHLLOKOSA-N 0 3 380.429 3.304 20 30 GGEDHN C#CCN1CCC(C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000068117850 1409307486 /nfs/dbraw/zinc/30/74/86/1409307486.db2.gz FECILECTVIIYSP-UHFFFAOYSA-N 0 3 381.564 3.414 20 30 GGEDHN COc1ccc2c(ccn2CC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000068310172 1409360648 /nfs/dbraw/zinc/36/06/48/1409360648.db2.gz BNBLCHKNJNFIAA-UHFFFAOYSA-N 0 3 390.487 3.112 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2CCC)CC1 ZINC000068430564 1409400604 /nfs/dbraw/zinc/40/06/04/1409400604.db2.gz REWSTNQWGWKLSU-UHFFFAOYSA-N 0 3 387.915 3.253 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc2cccnc21 ZINC000068885729 1409515481 /nfs/dbraw/zinc/51/54/81/1409515481.db2.gz WHNIMXDZADPPPC-UHFFFAOYSA-N 0 3 387.487 3.380 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000069112091 1409568631 /nfs/dbraw/zinc/56/86/31/1409568631.db2.gz DGFUXBAZPACGKF-LJQANCHMSA-N 0 3 399.514 3.006 20 30 GGEDHN N#CCOc1ccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000069282486 1409603723 /nfs/dbraw/zinc/60/37/23/1409603723.db2.gz FMCJSCAGHHOBHL-FQEVSTJZSA-N 0 3 378.476 3.053 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2ccc(F)cc21 ZINC000069463690 1409639115 /nfs/dbraw/zinc/63/91/15/1409639115.db2.gz DPHOTBAINHCQTN-FQEVSTJZSA-N 0 3 396.466 3.294 20 30 GGEDHN Cc1ccccc1-n1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cn1 ZINC000069698091 1409677084 /nfs/dbraw/zinc/67/70/84/1409677084.db2.gz BLCYEMZKPVHMGR-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CCc1ccc([C@@H](CNC(=O)NCc2ccc(OCC#N)cc2)N(C)C)cc1 ZINC000069729004 1409685398 /nfs/dbraw/zinc/68/53/98/1409685398.db2.gz VOSLVZJPXPQZCL-OAQYLSRUSA-N 0 3 380.492 3.253 20 30 GGEDHN CCc1ccc([C@H](CNC(=O)NCc2ccc(OCC#N)cc2)N(C)C)cc1 ZINC000069729007 1409685568 /nfs/dbraw/zinc/68/55/68/1409685568.db2.gz VOSLVZJPXPQZCL-NRFANRHFSA-N 0 3 380.492 3.253 20 30 GGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828956 1409711956 /nfs/dbraw/zinc/71/19/56/1409711956.db2.gz AIBAEGZSVIADOW-UHFFFAOYSA-N 0 3 384.455 3.001 20 30 GGEDHN C=CCN(CC(=O)N1CCC(C(=O)NCCC(C)C)CC1)CC1CCCCC1 ZINC000069860082 1409715856 /nfs/dbraw/zinc/71/58/56/1409715856.db2.gz HQCZEDCEIRSNIB-UHFFFAOYSA-N 0 3 391.600 3.456 20 30 GGEDHN COc1ccc(C[C@H](N[C@@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787655 1409775412 /nfs/dbraw/zinc/77/54/12/1409775412.db2.gz AQKFLMCSPCTWBF-JTSKRJEESA-N 0 3 395.503 3.338 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)COc1ccccc1C#N)c1cccc(OC)c1 ZINC000071813899 1409825294 /nfs/dbraw/zinc/82/52/94/1409825294.db2.gz MJKABEDIDYIEDY-FQEVSTJZSA-N 0 3 381.476 3.145 20 30 GGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000071947369 1409832397 /nfs/dbraw/zinc/83/23/97/1409832397.db2.gz NVDTVPLCEKNHEZ-QGZVFWFLSA-N 0 3 394.475 3.202 20 30 GGEDHN Cc1ccccc1CN1CCCN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000072098834 1409849022 /nfs/dbraw/zinc/84/90/22/1409849022.db2.gz RNCBULQZFMNXQB-IBGZPJMESA-N 0 3 376.504 3.402 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)CCN2CCN(c3ccccc3)CC2)cc1 ZINC000073108224 1409858204 /nfs/dbraw/zinc/85/82/04/1409858204.db2.gz PMGMIMPPUTUGNE-UHFFFAOYSA-N 0 3 376.504 3.454 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)CC1 ZINC000076140825 1409885917 /nfs/dbraw/zinc/88/59/17/1409885917.db2.gz XQHHOQYOUORMEM-OAQYLSRUSA-N 0 3 376.504 3.401 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)CC1 ZINC000076140826 1409885978 /nfs/dbraw/zinc/88/59/78/1409885978.db2.gz XQHHOQYOUORMEM-NRFANRHFSA-N 0 3 376.504 3.401 20 30 GGEDHN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000176733675 1428440620 /nfs/dbraw/zinc/44/06/20/1428440620.db2.gz OSOBEXHRRQNWAT-IUODEOHRSA-N 0 3 386.404 3.253 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)N(CCC#N)Cc3ccccn3)cc2)CC1 ZINC000078419176 1409916932 /nfs/dbraw/zinc/91/69/32/1409916932.db2.gz YNYPAXFXIPQARK-UHFFFAOYSA-N 0 3 391.519 3.168 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000078602561 1409928105 /nfs/dbraw/zinc/92/81/05/1409928105.db2.gz ZMMHDPBRHDKKLJ-SFHVURJKSA-N 0 3 384.524 3.087 20 30 GGEDHN CSc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000079040909 1409952170 /nfs/dbraw/zinc/95/21/70/1409952170.db2.gz JZUUCUQUYSUWMK-UHFFFAOYSA-N 0 3 398.488 3.392 20 30 GGEDHN COC1CCN(CCNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000079803813 1409990056 /nfs/dbraw/zinc/99/00/56/1409990056.db2.gz VKTKJGICACCISE-HNNXBMFYSA-N 0 3 376.526 3.313 20 30 GGEDHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081533756 1410021036 /nfs/dbraw/zinc/02/10/36/1410021036.db2.gz CJNBFLYEFAPPEJ-QFIPXVFZSA-N 0 3 376.504 3.140 20 30 GGEDHN COC(=O)[C@H](C)Oc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792588 1410081311 /nfs/dbraw/zinc/08/13/11/1410081311.db2.gz JSPJLYOVBJAMDN-SFHVURJKSA-N 0 3 393.487 3.211 20 30 GGEDHN CCOc1ccc(C2=CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000091813461 1410083396 /nfs/dbraw/zinc/08/33/96/1410083396.db2.gz HSXOQGFSMYMPMR-NRFANRHFSA-N 0 3 378.472 3.486 20 30 GGEDHN N#Cc1cccc(OC2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000092034306 1410099473 /nfs/dbraw/zinc/09/94/73/1410099473.db2.gz VIRVYTDCIVOGKX-UHFFFAOYSA-N 0 3 377.488 3.438 20 30 GGEDHN CN(C)Cc1cccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000092046101 1410100875 /nfs/dbraw/zinc/10/08/75/1410100875.db2.gz GWYASKBKJABPAX-UHFFFAOYSA-N 0 3 378.476 3.135 20 30 GGEDHN CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614248 1410256162 /nfs/dbraw/zinc/25/61/62/1410256162.db2.gz JQQBZWULRXVJNG-RTWAWAEBSA-N 0 3 388.508 3.130 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC(OCc3ccccc3OC)CC2)CC1 ZINC000094035648 1410295534 /nfs/dbraw/zinc/29/55/34/1410295534.db2.gz YHFOFSZFFLCJSQ-UHFFFAOYSA-N 0 3 387.524 3.036 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000094121915 1410304875 /nfs/dbraw/zinc/30/48/75/1410304875.db2.gz YXORWPMBHQAIDL-UHFFFAOYSA-N 0 3 392.503 3.073 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000097570648 1410377884 /nfs/dbraw/zinc/37/78/84/1410377884.db2.gz DBVXWZBCAGCEKS-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN C[C@H]1CN(CCC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000176819460 1428481846 /nfs/dbraw/zinc/48/18/46/1428481846.db2.gz TUFWHOMJZSKBIX-ROUUACIJSA-N 0 3 384.524 3.496 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1 ZINC000102279985 1410591580 /nfs/dbraw/zinc/59/15/80/1410591580.db2.gz XOVWJJYOTLQEPB-UHFFFAOYSA-N 0 3 383.492 3.268 20 30 GGEDHN N#Cc1ccc(CN2C(=O)CN(CN(CC3CCCCC3)C3CC3)C2=O)cc1 ZINC000102392019 1410619170 /nfs/dbraw/zinc/61/91/70/1410619170.db2.gz SOIOVRPLGXWGBW-UHFFFAOYSA-N 0 3 380.492 3.325 20 30 GGEDHN Cc1csc(CCCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000102575793 1410655577 /nfs/dbraw/zinc/65/55/77/1410655577.db2.gz MOACVYLEXVLEIM-UHFFFAOYSA-N 0 3 385.537 3.029 20 30 GGEDHN CC(C)COc1ncccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000102990364 1410817182 /nfs/dbraw/zinc/81/71/82/1410817182.db2.gz STXYJGAYFFCPOQ-UHFFFAOYSA-N 0 3 380.492 3.192 20 30 GGEDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000103112980 1410828653 /nfs/dbraw/zinc/82/86/53/1410828653.db2.gz XKSBLGFZNMJHCM-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN CCN1CCN([C@H](C)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000103206176 1410837289 /nfs/dbraw/zinc/83/72/89/1410837289.db2.gz JBXLTXUNBFJXHE-GOSISDBHSA-N 0 3 392.503 3.106 20 30 GGEDHN CCCN(CCC)C(=O)c1cccc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1 ZINC000103330870 1410849532 /nfs/dbraw/zinc/84/95/32/1410849532.db2.gz HQQXGENWCSKJBB-GOSISDBHSA-N 0 3 392.459 3.305 20 30 GGEDHN C[C@@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)NC1=O ZINC000103796660 1410875325 /nfs/dbraw/zinc/87/53/25/1410875325.db2.gz UIQAXPYRVQZPAZ-CABZTGNLSA-N 0 3 375.306 3.310 20 30 GGEDHN Cc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000104532570 1410899033 /nfs/dbraw/zinc/89/90/33/1410899033.db2.gz RXRHPKZHOIBPMJ-OAQYLSRUSA-N 0 3 394.519 3.149 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)c1 ZINC000104713454 1410937491 /nfs/dbraw/zinc/93/74/91/1410937491.db2.gz IRNXZMNQTTUNHH-SFHVURJKSA-N 0 3 386.879 3.495 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)c1 ZINC000104713458 1410938431 /nfs/dbraw/zinc/93/84/31/1410938431.db2.gz IRNXZMNQTTUNHH-GOSISDBHSA-N 0 3 386.879 3.495 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccco3)no2)cc1 ZINC000105263030 1411047795 /nfs/dbraw/zinc/04/77/95/1411047795.db2.gz MCYRHEWNAIIRMQ-HNNXBMFYSA-N 0 3 378.388 3.172 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@@H](C)O1 ZINC000176971975 1428535417 /nfs/dbraw/zinc/53/54/17/1428535417.db2.gz FNQMPNUJWMJLRW-HZPDHXFCSA-N 0 3 388.487 3.441 20 30 GGEDHN C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000105427668 1411066076 /nfs/dbraw/zinc/06/60/76/1411066076.db2.gz IBYRREHKKMLPAL-QGZVFWFLSA-N 0 3 387.487 3.064 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/CCOc2ccc(S(C)(=O)=O)cc2)c([O-])c1 ZINC000105935588 1411130708 /nfs/dbraw/zinc/13/07/08/1411130708.db2.gz PLZYUFVXUCRSKB-RCCKNPSSSA-N 0 3 390.505 3.140 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 ZINC000106035026 1411154409 /nfs/dbraw/zinc/15/44/09/1411154409.db2.gz GPPPRKLABNUEFX-UHFFFAOYSA-N 0 3 389.393 3.131 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000106035493 1411154750 /nfs/dbraw/zinc/15/47/50/1411154750.db2.gz PKUMBKJMYWOUDZ-UHFFFAOYSA-N 0 3 386.477 3.489 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2sccc2NC(=O)c2ccncc2)CC1 ZINC000106036161 1411154824 /nfs/dbraw/zinc/15/48/24/1411154824.db2.gz QDLDQKVIMSAZQB-UHFFFAOYSA-N 0 3 384.505 3.166 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2occc2CN2c3ccccc3CC2=O)CC1 ZINC000106034452 1411155070 /nfs/dbraw/zinc/15/50/70/1411155070.db2.gz FFIJZYXSVHCNNR-UHFFFAOYSA-N 0 3 393.487 3.139 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1 ZINC000106035680 1411155338 /nfs/dbraw/zinc/15/53/38/1411155338.db2.gz IPHVNZVOXIEWBS-OAHLLOKOSA-N 0 3 376.522 3.111 20 30 GGEDHN C=CCOc1ccc(C(=O)NCc2ccccc2CN2CCN(CC)CC2)cc1 ZINC000106194491 1411180017 /nfs/dbraw/zinc/18/00/17/1411180017.db2.gz QTECOLYEISPXQW-UHFFFAOYSA-N 0 3 393.531 3.319 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(OCC)c(OC)c2)CC1 ZINC000106259728 1411185430 /nfs/dbraw/zinc/18/54/30/1411185430.db2.gz QACZBZVIKLBENJ-INIZCTEOSA-N 0 3 375.513 3.495 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2OCC(F)(F)F)CC1 ZINC000106262147 1411185473 /nfs/dbraw/zinc/18/54/73/1411185473.db2.gz KRTXOEYCWXMLIX-UHFFFAOYSA-N 0 3 385.430 3.467 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCCc2nc3c(s2)CCCC3)CC1 ZINC000106269937 1411186923 /nfs/dbraw/zinc/18/69/23/1411186923.db2.gz SKGFWJCEDIXOIB-UHFFFAOYSA-N 0 3 376.570 3.294 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(-c3nc(CC)no3)cc2)CC1 ZINC000106270531 1411187575 /nfs/dbraw/zinc/18/75/75/1411187575.db2.gz ZWOJHMNFUMCESP-UHFFFAOYSA-N 0 3 397.523 3.181 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000106275019 1411188210 /nfs/dbraw/zinc/18/82/10/1411188210.db2.gz QFNPFDRQTQHVJV-LJQANCHMSA-N 0 3 385.508 3.345 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000106274866 1411188757 /nfs/dbraw/zinc/18/87/57/1411188757.db2.gz HEIWHYIRUUUFFH-UHFFFAOYSA-N 0 3 381.524 3.492 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2cc(OC)c(OC)cc2C)CC1 ZINC000106276068 1411189481 /nfs/dbraw/zinc/18/94/81/1411189481.db2.gz QJEZCLYBFPSUQB-UHFFFAOYSA-N 0 3 375.513 3.194 20 30 GGEDHN Cc1ccc(C(=O)N[C@@H](CC(=O)C(C#N)C(=O)NC(C)C)c2ccccc2)cc1 ZINC000106353810 1411202374 /nfs/dbraw/zinc/20/23/74/1411202374.db2.gz JEBCKWSRCVIPSB-PMACEKPBSA-N 0 3 391.471 3.090 20 30 GGEDHN Cc1ccc(C(=O)N[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c2ccccc2)cc1 ZINC000106353812 1411202595 /nfs/dbraw/zinc/20/25/95/1411202595.db2.gz JEBCKWSRCVIPSB-VQTJNVASSA-N 0 3 391.471 3.090 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)CC1 ZINC000106562897 1411248158 /nfs/dbraw/zinc/24/81/58/1411248158.db2.gz NWMHQNWQUJHTOY-UHFFFAOYSA-N 0 3 399.539 3.023 20 30 GGEDHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000106869477 1411313568 /nfs/dbraw/zinc/31/35/68/1411313568.db2.gz OWFHHTKDZHHHCI-HNNXBMFYSA-N 0 3 392.887 3.139 20 30 GGEDHN Cc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)c(C)c1 ZINC000106985693 1411333885 /nfs/dbraw/zinc/33/38/85/1411333885.db2.gz QIMUDPAPGFQCNR-QGZVFWFLSA-N 0 3 399.454 3.334 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C[C@H](C)Cc2ccccc2OC)cc1 ZINC000107409688 1411375258 /nfs/dbraw/zinc/37/52/58/1411375258.db2.gz LNUSDOLAJOEVGY-OXQOHEQNSA-N 0 3 394.471 3.298 20 30 GGEDHN N#CC(C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccccn1 ZINC000107409930 1411375653 /nfs/dbraw/zinc/37/56/53/1411375653.db2.gz ZTJWXULRXPMCDE-LBPRGKRZSA-N 0 3 378.251 3.186 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccoc2)n1 ZINC000108158654 1411445196 /nfs/dbraw/zinc/44/51/96/1411445196.db2.gz IRDWUWGSMXBQMA-UHFFFAOYSA-N 0 3 380.473 3.479 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1 ZINC000108493014 1411520148 /nfs/dbraw/zinc/52/01/48/1411520148.db2.gz MXRMWHNXEIAHRT-JTHBVZDNSA-N 0 3 398.478 3.077 20 30 GGEDHN C#CCOc1ccc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1 ZINC000108524501 1411529531 /nfs/dbraw/zinc/52/95/31/1411529531.db2.gz KPZVNFVPWQJVFB-UHFFFAOYSA-N 0 3 392.503 3.264 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(Cc3ccccc3F)s2)CC1 ZINC000108526573 1411530336 /nfs/dbraw/zinc/53/03/36/1411530336.db2.gz KLZMRBALULQTCE-UHFFFAOYSA-N 0 3 389.500 3.430 20 30 GGEDHN Cc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCCC3)cc1 ZINC000108624809 1411559668 /nfs/dbraw/zinc/55/96/68/1411559668.db2.gz CGZMRJAYBNZGDE-SFHVURJKSA-N 0 3 399.454 3.416 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1C1CC1 ZINC000177069957 1428577059 /nfs/dbraw/zinc/57/70/59/1428577059.db2.gz YZVWROGUSYPXJU-OXJNMPFZSA-N 0 3 375.472 3.492 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc(F)c(Cl)c1 ZINC000108937857 1411646682 /nfs/dbraw/zinc/64/66/82/1411646682.db2.gz CVDGRFRRBJJHNN-AWEZNQCLSA-N 0 3 397.797 3.329 20 30 GGEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000109034385 1411667358 /nfs/dbraw/zinc/66/73/58/1411667358.db2.gz BHIRGQZOTLIUTM-CVEARBPZSA-N 0 3 388.537 3.010 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2ncccc21 ZINC000109038643 1411668709 /nfs/dbraw/zinc/66/87/09/1411668709.db2.gz FPMWLLCDMHZXIV-QGZVFWFLSA-N 0 3 396.410 3.085 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cccnc21 ZINC000109184604 1411706020 /nfs/dbraw/zinc/70/60/20/1411706020.db2.gz NYGMVCGOGDOIOC-KRWDZBQOSA-N 0 3 396.410 3.085 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)Nc3cccc(OCC#N)c3)cc2)CC1 ZINC000109487321 1411773440 /nfs/dbraw/zinc/77/34/40/1411773440.db2.gz UNVHQVXISPCHSA-UHFFFAOYSA-N 0 3 378.476 3.372 20 30 GGEDHN N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761671 1411808199 /nfs/dbraw/zinc/80/81/99/1411808199.db2.gz LUWSMVBBZYOXSS-IBGZPJMESA-N 0 3 379.460 3.274 20 30 GGEDHN N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761671 1411808200 /nfs/dbraw/zinc/80/82/00/1411808200.db2.gz LUWSMVBBZYOXSS-IBGZPJMESA-N 0 3 379.460 3.274 20 30 GGEDHN C[C@H]1CCCN(c2cc(N3CCCN(Cc4ccc(C#N)cc4)CC3)ncn2)C1 ZINC000110124532 1411832645 /nfs/dbraw/zinc/83/26/45/1411832645.db2.gz LUYGXZWDHCUJKY-IBGZPJMESA-N 0 3 390.535 3.297 20 30 GGEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000177174776 1428614321 /nfs/dbraw/zinc/61/43/21/1428614321.db2.gz GJFGAAAXZJUWIG-AVRDEDQJSA-N 0 3 377.488 3.369 20 30 GGEDHN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)Cc1ccccc1 ZINC000111911646 1412050187 /nfs/dbraw/zinc/05/01/87/1412050187.db2.gz IDFZHLLEYHKHKW-KRWDZBQOSA-N 0 3 392.503 3.063 20 30 GGEDHN C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)N(C)Cc1ccccc1 ZINC000111911647 1412050724 /nfs/dbraw/zinc/05/07/24/1412050724.db2.gz IDFZHLLEYHKHKW-QGZVFWFLSA-N 0 3 392.503 3.063 20 30 GGEDHN C=CCN(CC(=O)NCc1ccccc1CN1CCCC1=O)CC1CCCCC1 ZINC000112202292 1412092865 /nfs/dbraw/zinc/09/28/65/1412092865.db2.gz MHMFVPWNFYCNSZ-UHFFFAOYSA-N 0 3 397.563 3.494 20 30 GGEDHN CCOc1ncc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000112236030 1412098787 /nfs/dbraw/zinc/09/87/87/1412098787.db2.gz YSRQONJABNSINE-UHFFFAOYSA-N 0 3 386.883 3.209 20 30 GGEDHN CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112483360 1412154691 /nfs/dbraw/zinc/15/46/91/1412154691.db2.gz MLIXBRQCXRBGJJ-HZPDHXFCSA-N 0 3 387.530 3.108 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000112759004 1412213364 /nfs/dbraw/zinc/21/33/64/1412213364.db2.gz VDJQCTGAUWCDRH-CQSZACIVSA-N 0 3 398.850 3.305 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000112821131 1412221738 /nfs/dbraw/zinc/22/17/38/1412221738.db2.gz HCVUEEDXULKGGS-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000113140845 1412268336 /nfs/dbraw/zinc/26/83/36/1412268336.db2.gz XZFDOPYOSFCUFT-CQSZACIVSA-N 0 3 397.397 3.007 20 30 GGEDHN CC[C@@H](C#N)Oc1cc(CNCc2c[nH]nc2-c2cccnc2)ccc1OC ZINC000113348104 1412296029 /nfs/dbraw/zinc/29/60/29/1412296029.db2.gz ZXPCBIICRAZNEY-SFHVURJKSA-N 0 3 377.448 3.451 20 30 GGEDHN O=C(NCCNCc1cccc(OCC2CCCCC2)c1)C1N=CC=CC1=O ZINC000113360782 1412298375 /nfs/dbraw/zinc/29/83/75/1412298375.db2.gz DLSKKVRBTMOUGR-DQRAZIAOSA-N 0 3 383.492 3.262 20 30 GGEDHN CC[C@H](CNC(=O)NCc1cccc(OCC#N)c1)N1CCc2ccccc2C1 ZINC000113374505 1412300311 /nfs/dbraw/zinc/30/03/11/1412300311.db2.gz OUEOPKYHGJNLSO-OAQYLSRUSA-N 0 3 392.503 3.225 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000113390212 1412302785 /nfs/dbraw/zinc/30/27/85/1412302785.db2.gz SHGVHCRUWGWYDB-IAGOWNOFSA-N 0 3 394.560 3.066 20 30 GGEDHN N#CCOc1cccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)c1 ZINC000113409383 1412304284 /nfs/dbraw/zinc/30/42/84/1412304284.db2.gz QCBJMYPBFYVFPO-OAQYLSRUSA-N 0 3 378.476 3.225 20 30 GGEDHN C[C@H](Oc1ccc(F)cc1Cl)C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000113654244 1412331321 /nfs/dbraw/zinc/33/13/21/1412331321.db2.gz ZJGCWGVPJDGRLP-WCQYABFASA-N 0 3 376.819 3.441 20 30 GGEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000113971924 1412360920 /nfs/dbraw/zinc/36/09/20/1412360920.db2.gz POSHBDFWOOJBIW-FQEVSTJZSA-N 0 3 380.492 3.299 20 30 GGEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1 ZINC000114032175 1412372662 /nfs/dbraw/zinc/37/26/62/1412372662.db2.gz KYWURAVZZRVYSD-SFHVURJKSA-N 0 3 380.492 3.099 20 30 GGEDHN CC(C)n1cnnc1SCC(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000114619213 1412479014 /nfs/dbraw/zinc/47/90/14/1412479014.db2.gz GORWCABTUIXIGG-CYBMUJFWSA-N 0 3 384.490 3.346 20 30 GGEDHN Cc1ccc(C#N)cc1S(=O)(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000114738557 1412514852 /nfs/dbraw/zinc/51/48/52/1412514852.db2.gz QRNYORQIQMZVPO-UHFFFAOYSA-N 0 3 389.546 3.119 20 30 GGEDHN CC1CCC(N2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)CC1 ZINC000115566606 1412713919 /nfs/dbraw/zinc/71/39/19/1412713919.db2.gz XCVYZVJMWSHHNA-UHFFFAOYSA-N 0 3 386.565 3.437 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000116562182 1412877606 /nfs/dbraw/zinc/87/76/06/1412877606.db2.gz JZQPWJDVSFQWOW-FXAWDEMLSA-N 0 3 398.457 3.466 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000116562188 1412877615 /nfs/dbraw/zinc/87/76/15/1412877615.db2.gz JZQPWJDVSFQWOW-XLIONFOSSA-N 0 3 398.457 3.466 20 30 GGEDHN CNC(=O)[C@H]1CCCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000116879354 1412947201 /nfs/dbraw/zinc/94/72/01/1412947201.db2.gz BARTXTCPZJSICE-FQEVSTJZSA-N 0 3 393.487 3.104 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccccc1OC(F)F ZINC000118210287 1413123523 /nfs/dbraw/zinc/12/35/23/1413123523.db2.gz DUOGZOAZBQJFPI-UHFFFAOYSA-N 0 3 387.430 3.293 20 30 GGEDHN Cc1sc2nc(CN3CCN(CC(C)(C)CCC#N)CC3)[nH]c(=O)c2c1C ZINC000119017852 1413305596 /nfs/dbraw/zinc/30/55/96/1413305596.db2.gz JMYMCAOSTQRBGZ-UHFFFAOYSA-N 0 3 387.553 3.049 20 30 GGEDHN CC(C)n1cc(C#N)c(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)n1 ZINC000177397869 1428717963 /nfs/dbraw/zinc/71/79/63/1428717963.db2.gz LMNPISRVKMBEJE-UHFFFAOYSA-N 0 3 380.496 3.118 20 30 GGEDHN C#CCOc1cc(F)ccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000119163159 1413361082 /nfs/dbraw/zinc/36/10/82/1413361082.db2.gz ZUMOWMUSPLNDMQ-UHFFFAOYSA-N 0 3 396.462 3.294 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccccc2C)cc1 ZINC000119363636 1413424678 /nfs/dbraw/zinc/42/46/78/1413424678.db2.gz IUJLQSONFIFSIS-IBGZPJMESA-N 0 3 380.444 3.188 20 30 GGEDHN N#Cc1cc(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000119378596 1413429753 /nfs/dbraw/zinc/42/97/53/1413429753.db2.gz YOHWQSBIOFJYHK-HXUWFJFHSA-N 0 3 393.510 3.127 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1ccc(F)cc1F ZINC000119622347 1413506917 /nfs/dbraw/zinc/50/69/17/1413506917.db2.gz VDTJBYOVQTWDFR-CQSZACIVSA-N 0 3 388.370 3.480 20 30 GGEDHN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000119648285 1413514698 /nfs/dbraw/zinc/51/46/98/1413514698.db2.gz QTKANJHMWZIPPN-KRWDZBQOSA-N 0 3 378.428 3.473 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000119661460 1413520920 /nfs/dbraw/zinc/52/09/20/1413520920.db2.gz GUSRCNBAFHCQRF-FQEVSTJZSA-N 0 3 378.472 3.431 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000119699902 1413537216 /nfs/dbraw/zinc/53/72/16/1413537216.db2.gz AJSKWHUXDWNRPF-UWJYYQICSA-N 0 3 379.529 3.428 20 30 GGEDHN CCc1nc(C(=O)C(C#N)C(=O)Nc2ccccc2)nn1-c1ccccc1Cl ZINC000119771915 1413563512 /nfs/dbraw/zinc/56/35/12/1413563512.db2.gz HXYZIMCOGSRWIS-AWEZNQCLSA-N 0 3 393.834 3.444 20 30 GGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(CCOC)CC1 ZINC000119835454 1413587095 /nfs/dbraw/zinc/58/70/95/1413587095.db2.gz LRONJUWSGMVDAK-UHFFFAOYSA-N 0 3 386.414 3.111 20 30 GGEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120041780 1413665235 /nfs/dbraw/zinc/66/52/35/1413665235.db2.gz IVMJTSJQTBDXBK-SCZZXKLOSA-N 0 3 377.882 3.435 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2c(F)cccc2F)cc1 ZINC000120076954 1413677919 /nfs/dbraw/zinc/67/79/19/1413677919.db2.gz GKHKSAVKRXPSGX-OAHLLOKOSA-N 0 3 386.354 3.032 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000120316235 1413782343 /nfs/dbraw/zinc/78/23/43/1413782343.db2.gz YOPKTWFJOLOJHZ-SFHVURJKSA-N 0 3 384.505 3.070 20 30 GGEDHN CC(=O)Nc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000120325353 1413787208 /nfs/dbraw/zinc/78/72/08/1413787208.db2.gz JDAPNRCHAZGRDI-UHFFFAOYSA-N 0 3 393.491 3.421 20 30 GGEDHN CC(=O)CCc1ccc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000120380713 1413805792 /nfs/dbraw/zinc/80/57/92/1413805792.db2.gz AAOIYSBMWJUXSI-OXJNMPFZSA-N 0 3 378.428 3.323 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000120455007 1413821587 /nfs/dbraw/zinc/82/15/87/1413821587.db2.gz KSCXFESLAHBWEM-KRWDZBQOSA-N 0 3 384.505 3.070 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000120574375 1413846833 /nfs/dbraw/zinc/84/68/33/1413846833.db2.gz JLAWNKILTDOQGU-UHFFFAOYSA-N 0 3 394.500 3.408 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000177492829 1428767431 /nfs/dbraw/zinc/76/74/31/1428767431.db2.gz HRMOOKZAKSXWSB-QMTYFTJSSA-N 0 3 377.554 3.167 20 30 GGEDHN N#CC(C(=O)Cc1csc(-c2ccc(Cl)s2)n1)C(=O)N1CCCC1 ZINC000121167431 1414030964 /nfs/dbraw/zinc/03/09/64/1414030964.db2.gz ACKJMKKLIXZKSG-LLVKDONJSA-N 0 3 379.894 3.399 20 30 GGEDHN COc1ccc(C)cc1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000121172838 1414032639 /nfs/dbraw/zinc/03/26/39/1414032639.db2.gz ABTLRZWYFLWPBA-UHFFFAOYSA-N 0 3 394.519 3.191 20 30 GGEDHN Cc1sc(=O)n(CC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C ZINC000121871516 1414285774 /nfs/dbraw/zinc/28/57/74/1414285774.db2.gz FQSQXNYXKYVEGV-OAHLLOKOSA-N 0 3 394.481 3.398 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc([C@H](C)SCC)no2)CC1 ZINC000121874522 1414287025 /nfs/dbraw/zinc/28/70/25/1414287025.db2.gz QMWRNCGUMSXVBE-AWEZNQCLSA-N 0 3 381.546 3.066 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2nc([C@@H](C)SCC)no2)CC1 ZINC000121874680 1414287066 /nfs/dbraw/zinc/28/70/66/1414287066.db2.gz QMWRNCGUMSXVBE-CQSZACIVSA-N 0 3 381.546 3.066 20 30 GGEDHN C[C@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000121900203 1414299147 /nfs/dbraw/zinc/29/91/47/1414299147.db2.gz WNYKUMWWLVRUAO-SWLSCSKDSA-N 0 3 380.473 3.409 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCNC(=O)NC1CCCCC1 ZINC000122156413 1414375609 /nfs/dbraw/zinc/37/56/09/1414375609.db2.gz UUOMMTMMNPHBLX-INIZCTEOSA-N 0 3 381.480 3.162 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC000122164566 1414377875 /nfs/dbraw/zinc/37/78/75/1414377875.db2.gz SAGFWQMAPHLAAA-HNNXBMFYSA-N 0 3 396.397 3.238 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000122197806 1414385834 /nfs/dbraw/zinc/38/58/34/1414385834.db2.gz GNDLRFNFEKSEHT-CYBMUJFWSA-N 0 3 377.429 3.494 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(C(C)C)o2)cc1Cl ZINC000177601750 1428808046 /nfs/dbraw/zinc/80/80/46/1428808046.db2.gz OBWWMYVDOKAXHZ-LBPRGKRZSA-N 0 3 390.827 3.135 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)CC1 ZINC000122383941 1414442392 /nfs/dbraw/zinc/44/23/92/1414442392.db2.gz MKLOEWKSLNVLNV-UHFFFAOYSA-N 0 3 390.409 3.483 20 30 GGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000122414816 1414452544 /nfs/dbraw/zinc/45/25/44/1414452544.db2.gz BKJBXRGMVBUXNY-OAHLLOKOSA-N 0 3 399.457 3.026 20 30 GGEDHN N#Cc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c1 ZINC000122485345 1414477698 /nfs/dbraw/zinc/47/76/98/1414477698.db2.gz KZLPNLCRTPJXSS-UNMCSNQZSA-N 0 3 395.528 3.233 20 30 GGEDHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177627016 1428815535 /nfs/dbraw/zinc/81/55/35/1428815535.db2.gz DGYUKFOLMOIOPA-UHFFFAOYSA-N 0 3 397.422 3.117 20 30 GGEDHN COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc(OC)c1OC ZINC000122831702 1414575666 /nfs/dbraw/zinc/57/56/66/1414575666.db2.gz SYTCPEBJMFVXOQ-UHFFFAOYSA-N 0 3 395.503 3.292 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)c1ccc2c(c1)OCCO2 ZINC000122843395 1414578643 /nfs/dbraw/zinc/57/86/43/1414578643.db2.gz AOMSVNNJAUCKJM-OAHLLOKOSA-N 0 3 389.411 3.184 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc3[nH]c(=NC(=O)OCC)sc3c2)CC1 ZINC000123062606 1414631474 /nfs/dbraw/zinc/63/14/74/1414631474.db2.gz LRWMKBCFYLHPTQ-UHFFFAOYSA-N 0 3 386.477 3.148 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123076357 1414635206 /nfs/dbraw/zinc/63/52/06/1414635206.db2.gz HHYZCLZISMIXCW-MGPUTAFESA-N 0 3 399.466 3.108 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123076559 1414635236 /nfs/dbraw/zinc/63/52/36/1414635236.db2.gz HHYZCLZISMIXCW-FOIQADDNSA-N 0 3 399.466 3.108 20 30 GGEDHN N#Cc1ccc(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000123241324 1414676587 /nfs/dbraw/zinc/67/65/87/1414676587.db2.gz XRWATCPJRWFYQF-SFHVURJKSA-N 0 3 381.549 3.049 20 30 GGEDHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000177665853 1428827505 /nfs/dbraw/zinc/82/75/05/1428827505.db2.gz RFPVEMOVISVPRK-CQSZACIVSA-N 0 3 389.443 3.072 20 30 GGEDHN CC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1c(C)noc1C ZINC000123404119 1414718679 /nfs/dbraw/zinc/71/86/79/1414718679.db2.gz PJLITSFLQLQMOI-IBGZPJMESA-N 0 3 383.496 3.388 20 30 GGEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCc1cnn(C)c1 ZINC000123795583 1414825309 /nfs/dbraw/zinc/82/53/09/1414825309.db2.gz MIPBJNDWYDFSKM-HNNXBMFYSA-N 0 3 382.445 3.263 20 30 GGEDHN N#Cc1ccc(OCCN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000123851099 1414834743 /nfs/dbraw/zinc/83/47/43/1414834743.db2.gz HSASIHDMYFGMEA-UHFFFAOYSA-N 0 3 382.439 3.362 20 30 GGEDHN CN(CCC#N)c1ccc(CNc2cccc(CN3CCN(C)CC3)c2)cc1 ZINC000123989953 1414864134 /nfs/dbraw/zinc/86/41/34/1414864134.db2.gz OKQVAWKQUKHGAT-UHFFFAOYSA-N 0 3 377.536 3.396 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000124009005 1414868490 /nfs/dbraw/zinc/86/84/90/1414868490.db2.gz MUROPYKCBQUEGB-HNNXBMFYSA-N 0 3 399.332 3.247 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccoc3)no2)cc1 ZINC000124028427 1414871932 /nfs/dbraw/zinc/87/19/32/1414871932.db2.gz QGBFTRBKSBRPGU-INIZCTEOSA-N 0 3 378.388 3.172 20 30 GGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 ZINC000177771578 1428854555 /nfs/dbraw/zinc/85/45/55/1428854555.db2.gz VNYZYJUDCSUVHN-AWEZNQCLSA-N 0 3 389.502 3.079 20 30 GGEDHN N#CC(C(=O)COc1cc(Cl)c(Cl)cc1Cl)C(=O)N1CCCC1 ZINC000124677319 1415019328 /nfs/dbraw/zinc/01/93/28/1415019328.db2.gz WNMGOYVCXNKYCB-VIFPVBQESA-N 0 3 375.639 3.357 20 30 GGEDHN Cc1ccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)N2CCCC2)cc1 ZINC000124733605 1415031911 /nfs/dbraw/zinc/03/19/11/1415031911.db2.gz PXANFXGGOOEDLB-QFIPXVFZSA-N 0 3 377.488 3.393 20 30 GGEDHN CC(C)c1ccc(-n2ccnc2SCC(=O)C(C#N)C(=O)N2CCCC2)cc1 ZINC000124739694 1415033586 /nfs/dbraw/zinc/03/35/86/1415033586.db2.gz VOLSCQRZXKTCLC-GOSISDBHSA-N 0 3 396.516 3.419 20 30 GGEDHN N#CC(C(=O)CCSc1ccccc1Br)C(=O)N1CCCC1 ZINC000124841142 1415056969 /nfs/dbraw/zinc/05/69/69/1415056969.db2.gz DRDLUEIRNQWUOD-LBPRGKRZSA-N 0 3 381.295 3.263 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000125022528 1415093456 /nfs/dbraw/zinc/09/34/56/1415093456.db2.gz XFUWSTUFDSTTQL-AZUAARDMSA-N 0 3 386.517 3.235 20 30 GGEDHN N#CC(C(=O)CCc1ncc(-c2ccccc2F)o1)C(=O)Nc1ccccn1 ZINC000125190730 1415127128 /nfs/dbraw/zinc/12/71/28/1415127128.db2.gz YIHQQNOKOGEMLZ-CQSZACIVSA-N 0 3 378.363 3.156 20 30 GGEDHN N#CC(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccccn1 ZINC000125190482 1415127186 /nfs/dbraw/zinc/12/71/86/1415127186.db2.gz MQFGHSZFWYLWQK-CQSZACIVSA-N 0 3 396.353 3.295 20 30 GGEDHN N#CC(C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccccn1 ZINC000125235835 1415136177 /nfs/dbraw/zinc/13/61/77/1415136177.db2.gz LOCZGDHRWJUJRG-INIZCTEOSA-N 0 3 392.440 3.317 20 30 GGEDHN N#CC(C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)Nc1ccccn1 ZINC000125235645 1415136260 /nfs/dbraw/zinc/13/62/60/1415136260.db2.gz LOCZGDHRWJUJRG-MRXNPFEDSA-N 0 3 392.440 3.317 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000125243994 1415139101 /nfs/dbraw/zinc/13/91/01/1415139101.db2.gz VCVZPFCRFVOMCK-HNNXBMFYSA-N 0 3 379.807 3.190 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000125416459 1415191666 /nfs/dbraw/zinc/19/16/66/1415191666.db2.gz OHZUOBUOYZAFEC-GASCZTMLSA-N 0 3 375.900 3.173 20 30 GGEDHN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000125443884 1415200739 /nfs/dbraw/zinc/20/07/39/1415200739.db2.gz BBKXPCQIPRNRRE-GOEBONIOSA-N 0 3 380.872 3.056 20 30 GGEDHN Cc1cc(-c2noc(CCC(=O)C(C#N)C(=O)NC3CCCCC3)n2)ccc1F ZINC000125510101 1415217439 /nfs/dbraw/zinc/21/74/39/1415217439.db2.gz YCXSONCCTGWWSB-INIZCTEOSA-N 0 3 398.438 3.275 20 30 GGEDHN Cc1cccc(-c2nc(CC(=O)C(C#N)C(=O)NCCCOC(C)C)cs2)c1 ZINC000125515795 1415218379 /nfs/dbraw/zinc/21/83/79/1415218379.db2.gz IVYVSLXLYLEWQD-SFHVURJKSA-N 0 3 399.516 3.301 20 30 GGEDHN Cc1ccc(-c2nc(CC(=O)C(C#N)C(=O)NCCCOC(C)C)cs2)cc1 ZINC000125515330 1415218488 /nfs/dbraw/zinc/21/84/88/1415218488.db2.gz NWXZVMRXIMJSMF-SFHVURJKSA-N 0 3 399.516 3.301 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000125522681 1415220193 /nfs/dbraw/zinc/22/01/93/1415220193.db2.gz ZTPKHIPFSQZZQT-QGZVFWFLSA-N 0 3 393.834 3.499 20 30 GGEDHN Cc1cc(O[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)ccc1Cl ZINC000125536626 1415222113 /nfs/dbraw/zinc/22/21/13/1415222113.db2.gz WUDUAZJIOFGAHJ-GOEBONIOSA-N 0 3 380.872 3.056 20 30 GGEDHN Cc1cc(O[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)ccc1Cl ZINC000125536850 1415222207 /nfs/dbraw/zinc/22/22/07/1415222207.db2.gz WUDUAZJIOFGAHJ-GDBMZVCRSA-N 0 3 380.872 3.056 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1 ZINC000125588675 1415232934 /nfs/dbraw/zinc/23/29/34/1415232934.db2.gz SVGZXJDZLIZZAE-OAHLLOKOSA-N 0 3 381.270 3.233 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1ccc(Br)cc1 ZINC000125588518 1415232973 /nfs/dbraw/zinc/23/29/73/1415232973.db2.gz SVGZXJDZLIZZAE-HNNXBMFYSA-N 0 3 381.270 3.233 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000125612320 1415238133 /nfs/dbraw/zinc/23/81/33/1415238133.db2.gz ORYFAJURXFQNRZ-KRWDZBQOSA-N 0 3 396.491 3.450 20 30 GGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000125644739 1415244772 /nfs/dbraw/zinc/24/47/72/1415244772.db2.gz HWEVCZFRVSWNEI-UHFFFAOYSA-N 0 3 385.895 3.375 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1cccc(OCC#N)c1 ZINC000125646891 1415245490 /nfs/dbraw/zinc/24/54/90/1415245490.db2.gz MGPRRXPMHYJRKB-UHFFFAOYSA-N 0 3 387.430 3.000 20 30 GGEDHN CC(=O)c1cccc(OCCCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126243441 1415392709 /nfs/dbraw/zinc/39/27/09/1415392709.db2.gz BKFOBRYXFZPPGI-HXUWFJFHSA-N 0 3 378.428 3.073 20 30 GGEDHN N#CC(C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccccn1 ZINC000126297143 1415410023 /nfs/dbraw/zinc/41/00/23/1415410023.db2.gz RVGQCASVAPMZLQ-CYBMUJFWSA-N 0 3 390.212 3.263 20 30 GGEDHN COc1ccc(-c2cnc(CCC(=O)C(C#N)C(=O)Nc3ccccn3)o2)cc1 ZINC000126299588 1415410532 /nfs/dbraw/zinc/41/05/32/1415410532.db2.gz LKOJKWUVTIRXDD-INIZCTEOSA-N 0 3 390.399 3.025 20 30 GGEDHN Cc1ccccc1-n1nc(C(=O)C(C#N)C(=O)Nc2ccccn2)c2c1CCC2 ZINC000126313666 1415415624 /nfs/dbraw/zinc/41/56/24/1415415624.db2.gz BBOMPATYCMFNOY-MRXNPFEDSA-N 0 3 385.427 3.026 20 30 GGEDHN C#CCNC(=O)[C@H](C)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000126424814 1415449644 /nfs/dbraw/zinc/44/96/44/1415449644.db2.gz DVQUMTJBOVPUJN-FXAWDEMLSA-N 0 3 380.488 3.024 20 30 GGEDHN Cc1noc(C)c1CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126600404 1415504319 /nfs/dbraw/zinc/50/43/19/1415504319.db2.gz GTUYIBHLLRDUBX-CQSZACIVSA-N 0 3 379.388 3.496 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178041196 1428952624 /nfs/dbraw/zinc/95/26/24/1428952624.db2.gz NZAWQJCFLAVSNM-LJQANCHMSA-N 0 3 393.487 3.088 20 30 GGEDHN N#CC(C(=O)Cc1csc(-c2cccs2)n1)C(=O)NCc1ccccc1 ZINC000126866551 1415589397 /nfs/dbraw/zinc/58/93/97/1415589397.db2.gz PIAZBEJUKJNAEE-OAHLLOKOSA-N 0 3 381.482 3.439 20 30 GGEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000126906394 1415602235 /nfs/dbraw/zinc/60/22/35/1415602235.db2.gz LEBIKUWXPZFZIY-IBGZPJMESA-N 0 3 393.535 3.156 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000178053030 1428958135 /nfs/dbraw/zinc/95/81/35/1428958135.db2.gz OPHQYEHLUZRYHS-UHFFFAOYSA-N 0 3 395.507 3.122 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000127085120 1415657648 /nfs/dbraw/zinc/65/76/48/1415657648.db2.gz YROQCQLQVHFMPP-HNNXBMFYSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CSc2ccc(F)c(F)c2)c1 ZINC000127131495 1415667002 /nfs/dbraw/zinc/66/70/02/1415667002.db2.gz OHOHNUIZVGOXQQ-AWEZNQCLSA-N 0 3 376.384 3.413 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000127177355 1415679277 /nfs/dbraw/zinc/67/92/77/1415679277.db2.gz XWASQTHJRQEIOT-GOSISDBHSA-N 0 3 394.818 3.495 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COc3cccc4[nH]ccc43)CC2)c1 ZINC000127203632 1415685094 /nfs/dbraw/zinc/68/50/94/1415685094.db2.gz KINYCUWKEJSLBO-GOSISDBHSA-N 0 3 391.471 3.323 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(Br)cc2)c1 ZINC000127495580 1415800667 /nfs/dbraw/zinc/80/06/67/1415800667.db2.gz PDPFVILSJWQAFI-INIZCTEOSA-N 0 3 387.233 3.484 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCc1c(C)noc1C ZINC000127542987 1415807350 /nfs/dbraw/zinc/80/73/50/1415807350.db2.gz QGFDHINSUVALJX-UHFFFAOYSA-N 0 3 375.542 3.432 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000127604003 1415817831 /nfs/dbraw/zinc/81/78/31/1415817831.db2.gz YCLWKQYVOKTEKB-AWEZNQCLSA-N 0 3 380.429 3.387 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000127604215 1415818062 /nfs/dbraw/zinc/81/80/62/1415818062.db2.gz YCLWKQYVOKTEKB-CQSZACIVSA-N 0 3 380.429 3.387 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2ccn(-c3ccccc3Cl)n2)cc1 ZINC000127673416 1415830415 /nfs/dbraw/zinc/83/04/15/1415830415.db2.gz OIGNGWMTBAZSHL-OAHLLOKOSA-N 0 3 394.818 3.495 20 30 GGEDHN CN(Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000127838172 1415860203 /nfs/dbraw/zinc/86/02/03/1415860203.db2.gz BNEZZDCWSGRFJV-MRXNPFEDSA-N 0 3 380.366 3.329 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000127872424 1415867540 /nfs/dbraw/zinc/86/75/40/1415867540.db2.gz UZMYAYXUFVGOOK-QGZVFWFLSA-N 0 3 383.835 3.198 20 30 GGEDHN COc1ccc(CCCC(=O)C(C#N)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000127900208 1415872470 /nfs/dbraw/zinc/87/24/70/1415872470.db2.gz NFOIIRBGRRHLMF-HXUWFJFHSA-N 0 3 380.444 3.052 20 30 GGEDHN CO/N=C/c1ccc(C(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178240782 1429028976 /nfs/dbraw/zinc/02/89/76/1429028976.db2.gz MMVURFNFAZKHGD-YMQCXJOPSA-N 0 3 387.524 3.018 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233064 1429025605 /nfs/dbraw/zinc/02/56/05/1429025605.db2.gz YHSIZMVVMAJLBJ-ZWKOTPCHSA-N 0 3 393.572 3.426 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233083 1429025736 /nfs/dbraw/zinc/02/57/36/1429025736.db2.gz YHSIZMVVMAJLBJ-QZTJIDSGSA-N 0 3 393.572 3.426 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)COc2ccccc2OC)CC1 ZINC000128451909 1415990318 /nfs/dbraw/zinc/99/03/18/1415990318.db2.gz WGOCJDPLHWURIR-KRWDZBQOSA-N 0 3 375.513 3.050 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000128454634 1415991183 /nfs/dbraw/zinc/99/11/83/1415991183.db2.gz ITNYKNSPWZMWET-MRXNPFEDSA-N 0 3 394.922 3.398 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000128509055 1416002171 /nfs/dbraw/zinc/00/21/71/1416002171.db2.gz GRAPREWUGXPOKU-MJGOQNOKSA-N 0 3 389.455 3.488 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)NC2CCCCC2)cc1 ZINC000128511969 1416003465 /nfs/dbraw/zinc/00/34/65/1416003465.db2.gz PVZGDFWRNQMJDB-LJQANCHMSA-N 0 3 398.507 3.308 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(NC(=O)C(C)C)n2)cc1 ZINC000128526082 1416006289 /nfs/dbraw/zinc/00/62/89/1416006289.db2.gz LRNGSPBDEYOICU-MRXNPFEDSA-N 0 3 398.488 3.190 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cnn(-c2ccccc2)n1 ZINC000128783380 1416068056 /nfs/dbraw/zinc/06/80/56/1416068056.db2.gz YGGLAAJECSOEST-GOSISDBHSA-N 0 3 381.395 3.382 20 30 GGEDHN C[C@@](C#N)(NC(=O)CN(Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000128799060 1416071946 /nfs/dbraw/zinc/07/19/46/1416071946.db2.gz SSPUTOWADLPACV-QFIPXVFZSA-N 0 3 383.492 3.358 20 30 GGEDHN CCN1CCN([C@@H](C)CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000178347459 1429057608 /nfs/dbraw/zinc/05/76/08/1429057608.db2.gz MXGDEQZBMFIYKD-ZDUSSCGKSA-N 0 3 375.879 3.337 20 30 GGEDHN COc1cc(NC2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000129519768 1416222041 /nfs/dbraw/zinc/22/20/41/1416222041.db2.gz UKSQDNIMDHPKLF-JOCHJYFZSA-N 0 3 381.476 3.185 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129544709 1416225267 /nfs/dbraw/zinc/22/52/67/1416225267.db2.gz FGBGFEQKXCKPNA-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN N#CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000129633066 1416240510 /nfs/dbraw/zinc/24/05/10/1416240510.db2.gz OKINMXGPQFWUTC-UHFFFAOYSA-N 0 3 399.516 3.418 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000129688102 1416248626 /nfs/dbraw/zinc/24/86/26/1416248626.db2.gz FFTBJEPEACWGBT-SNVBAGLBSA-N 0 3 393.186 3.445 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000129688292 1416248653 /nfs/dbraw/zinc/24/86/53/1416248653.db2.gz FFTBJEPEACWGBT-JTQLQIEISA-N 0 3 393.186 3.445 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(F)c(F)c1 ZINC000129867081 1416276303 /nfs/dbraw/zinc/27/63/03/1416276303.db2.gz XRLNXWGGYYGXLN-JSGCOSHPSA-N 0 3 388.370 3.478 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000129955028 1416290395 /nfs/dbraw/zinc/29/03/95/1416290395.db2.gz ODABVBUTIVJTHT-ZDUSSCGKSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000129994830 1416299112 /nfs/dbraw/zinc/29/91/12/1416299112.db2.gz PNKHQYYVFAYUNA-ZDUSSCGKSA-N 0 3 384.436 3.046 20 30 GGEDHN CC(C)c1noc(CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000130228576 1416343029 /nfs/dbraw/zinc/34/30/29/1416343029.db2.gz KJLUMAGPUWTWRE-LLVKDONJSA-N 0 3 378.791 3.266 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ncc1Cl ZINC000130350305 1416363000 /nfs/dbraw/zinc/36/30/00/1416363000.db2.gz NXFGOWYPHPFQMJ-UHFFFAOYSA-N 0 3 377.275 3.464 20 30 GGEDHN Cc1nccn1CCCN(C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130595952 1416407052 /nfs/dbraw/zinc/40/70/52/1416407052.db2.gz CQHQQYMNAQYLBW-IBGZPJMESA-N 0 3 381.524 3.466 20 30 GGEDHN Cc1nccn1CCCN(C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000130595675 1416407117 /nfs/dbraw/zinc/40/71/17/1416407117.db2.gz CQHQQYMNAQYLBW-LJQANCHMSA-N 0 3 381.524 3.466 20 30 GGEDHN COc1cccc([C@H](CNC(=O)Cc2cccc(OCC#N)c2)N2CCCC2)c1 ZINC000130644622 1416416105 /nfs/dbraw/zinc/41/61/05/1416416105.db2.gz JGJVHOIHGOGVFZ-QFIPXVFZSA-N 0 3 393.487 3.093 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(OCCOC)c3ccccc3n2)CC1 ZINC000130892371 1416476296 /nfs/dbraw/zinc/47/62/96/1416476296.db2.gz NDIFVUOOOCVWDF-UHFFFAOYSA-N 0 3 383.492 3.030 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000178544645 1429103364 /nfs/dbraw/zinc/10/33/64/1429103364.db2.gz JEZNWZIMIKBQEO-UHFFFAOYSA-N 0 3 377.492 3.433 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 ZINC000131306418 1416537917 /nfs/dbraw/zinc/53/79/17/1416537917.db2.gz ZPERETNSYMPIBM-UHFFFAOYSA-N 0 3 387.483 3.173 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000131704703 1416600077 /nfs/dbraw/zinc/60/00/77/1416600077.db2.gz DBJNNRJXYBNTBJ-OAHLLOKOSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3cccs3)no2)cc1 ZINC000131707000 1416601158 /nfs/dbraw/zinc/60/11/58/1416601158.db2.gz FRVSSZDIPRXANI-CQSZACIVSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccccc2C(F)(F)F)cc1 ZINC000131794715 1416621960 /nfs/dbraw/zinc/62/19/60/1416621960.db2.gz CIEGZHZTGRJQOM-CQSZACIVSA-N 0 3 392.333 3.440 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC000178579234 1429113242 /nfs/dbraw/zinc/11/32/42/1429113242.db2.gz NWQJMUDPAYCAQW-UHFFFAOYSA-N 0 3 391.519 3.148 20 30 GGEDHN CCCN(CCC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000178593565 1429116518 /nfs/dbraw/zinc/11/65/18/1429116518.db2.gz AVQYCSRRXOEMJM-QGZVFWFLSA-N 0 3 386.540 3.478 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3)nc2C)c1 ZINC000132347773 1416742227 /nfs/dbraw/zinc/74/22/27/1416742227.db2.gz ZLTJLAZKFHUYOO-GOSISDBHSA-N 0 3 386.411 3.422 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CC(C)C)C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000178669255 1429134086 /nfs/dbraw/zinc/13/40/86/1429134086.db2.gz DWHAHPRSAHSLRM-HXUWFJFHSA-N 0 3 377.504 3.177 20 30 GGEDHN COc1cc(C)cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000133052548 1416846434 /nfs/dbraw/zinc/84/64/34/1416846434.db2.gz JFGYSSYLUKEJGE-UHFFFAOYSA-N 0 3 380.492 3.149 20 30 GGEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC1(N2CCSCC2)CCCC1 ZINC000133178139 1416861149 /nfs/dbraw/zinc/86/11/49/1416861149.db2.gz OMGSFCSCMRSLSC-UHFFFAOYSA-N 0 3 387.549 3.193 20 30 GGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000133238173 1416868806 /nfs/dbraw/zinc/86/88/06/1416868806.db2.gz ZBJCJZLKBWJIJI-AWEZNQCLSA-N 0 3 386.864 3.176 20 30 GGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000133237967 1416868948 /nfs/dbraw/zinc/86/89/48/1416868948.db2.gz ZBJCJZLKBWJIJI-CQSZACIVSA-N 0 3 386.864 3.176 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cccc(COCC(F)(F)F)c2)CC1 ZINC000178674509 1429136079 /nfs/dbraw/zinc/13/60/79/1429136079.db2.gz ALYFLYMPDNPSBT-UHFFFAOYSA-N 0 3 385.430 3.215 20 30 GGEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC1CC1 ZINC000178701125 1429145634 /nfs/dbraw/zinc/14/56/34/1429145634.db2.gz CXHFAEWAMPYFIB-KRWDZBQOSA-N 0 3 384.524 3.088 20 30 GGEDHN C#CCOc1ccc([C@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133792948 1416964342 /nfs/dbraw/zinc/96/43/42/1416964342.db2.gz DHZPEWQJUSDRET-DLBZAZTESA-N 0 3 386.517 3.361 20 30 GGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCN1C1CCOCC1 ZINC000134097116 1417022032 /nfs/dbraw/zinc/02/20/32/1417022032.db2.gz HIECBRBJAKNBRP-QFIPXVFZSA-N 0 3 375.472 3.063 20 30 GGEDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000134138900 1417028188 /nfs/dbraw/zinc/02/81/88/1417028188.db2.gz IXZZNTAONWAMEY-JOCHJYFZSA-N 0 3 396.491 3.226 20 30 GGEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCCc2cccs2)cc1 ZINC000134154188 1417030705 /nfs/dbraw/zinc/03/07/05/1417030705.db2.gz VCZCBWBSROHFMY-KRWDZBQOSA-N 0 3 383.473 3.120 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1CCC(=O)Nc1sccc1C#N ZINC000134639745 1417102718 /nfs/dbraw/zinc/10/27/18/1417102718.db2.gz MMKRTUMMXHZFJN-ZFWWWQNUSA-N 0 3 392.525 3.326 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000134929887 1417147305 /nfs/dbraw/zinc/14/73/05/1417147305.db2.gz BAEIUCJEVWWBAG-DYESRHJHSA-N 0 3 393.535 3.125 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000134973345 1417155230 /nfs/dbraw/zinc/15/52/30/1417155230.db2.gz TUZHHTVESASQNT-OAHLLOKOSA-N 0 3 388.855 3.338 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(C3CCCC3)no2)cc1 ZINC000134977036 1417155691 /nfs/dbraw/zinc/15/56/91/1417155691.db2.gz YZZXBPYDASPRPR-INIZCTEOSA-N 0 3 382.420 3.016 20 30 GGEDHN COc1ccc(CN(C)C[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000135073415 1417170073 /nfs/dbraw/zinc/17/00/73/1417170073.db2.gz YBGINVCTQNOHOF-KRWDZBQOSA-N 0 3 394.393 3.457 20 30 GGEDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135319054 1417207112 /nfs/dbraw/zinc/20/71/12/1417207112.db2.gz VQOMZFSRWFOEIY-UHFFFAOYSA-N 0 3 376.457 3.385 20 30 GGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCc2c1cnn2C ZINC000135635690 1417251152 /nfs/dbraw/zinc/25/11/52/1417251152.db2.gz XOEOTKFEZPRSNR-MRXNPFEDSA-N 0 3 383.521 3.180 20 30 GGEDHN CCOc1ccnc(N2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135792852 1417269020 /nfs/dbraw/zinc/26/90/20/1417269020.db2.gz MTVYJBRAIDEUKJ-UHFFFAOYSA-N 0 3 379.508 3.389 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccc(C)n3C)n2)cc1 ZINC000136682357 1417338763 /nfs/dbraw/zinc/33/87/63/1417338763.db2.gz AWQCDDDPUKIYGH-OAHLLOKOSA-N 0 3 394.456 3.427 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000138715422 1417435306 /nfs/dbraw/zinc/43/53/06/1417435306.db2.gz DDASIIPONRONFN-OAHLLOKOSA-N 0 3 392.390 3.371 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000138728277 1417436232 /nfs/dbraw/zinc/43/62/32/1417436232.db2.gz YUIPSOBHMHLFED-SFHVURJKSA-N 0 3 394.427 3.404 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(C(C)=O)c2)cc1 ZINC000138755166 1417437389 /nfs/dbraw/zinc/43/73/89/1417437389.db2.gz DURKRLMVBDCHDY-FQEVSTJZSA-N 0 3 394.427 3.404 20 30 GGEDHN CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000138967082 1417443456 /nfs/dbraw/zinc/44/34/56/1417443456.db2.gz MZUVQMNNIKDDLY-CYBMUJFWSA-N 0 3 387.823 3.494 20 30 GGEDHN CCCOc1c(Cl)cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000138967082 1417443467 /nfs/dbraw/zinc/44/34/67/1417443467.db2.gz MZUVQMNNIKDDLY-CYBMUJFWSA-N 0 3 387.823 3.494 20 30 GGEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCN(C3CC3)C2)cc1C ZINC000139978644 1417483762 /nfs/dbraw/zinc/48/37/62/1417483762.db2.gz JEJXREJZBXLAMR-GOSISDBHSA-N 0 3 377.492 3.047 20 30 GGEDHN Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCN(C3CC3)C2)cc1C ZINC000139978774 1417483855 /nfs/dbraw/zinc/48/38/55/1417483855.db2.gz JEJXREJZBXLAMR-SFHVURJKSA-N 0 3 377.492 3.047 20 30 GGEDHN C=CCCCCCN(C)[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000150875108 1417825911 /nfs/dbraw/zinc/82/59/11/1417825911.db2.gz SDDBKPDNPBKIPW-GOSISDBHSA-N 0 3 384.524 3.490 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC1 ZINC000151550492 1418021813 /nfs/dbraw/zinc/02/18/13/1418021813.db2.gz UJYWKSFXSDICRD-UHFFFAOYSA-N 0 3 384.524 3.360 20 30 GGEDHN N#CC(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nnc2n1CCCCC2 ZINC000151735096 1418074628 /nfs/dbraw/zinc/07/46/28/1418074628.db2.gz QEZOQJXRHNVRST-IBGZPJMESA-N 0 3 399.454 3.491 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000179171948 1429284457 /nfs/dbraw/zinc/28/44/57/1429284457.db2.gz VPRMYQOHIDKYPF-SFHVURJKSA-N 0 3 395.450 3.021 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000179218875 1429298075 /nfs/dbraw/zinc/29/80/75/1429298075.db2.gz BWHFBKYMKLGLCV-UHFFFAOYSA-N 0 3 396.457 3.187 20 30 GGEDHN COc1ncccc1NC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000179474789 1429387637 /nfs/dbraw/zinc/38/76/37/1429387637.db2.gz QIITXNPRUSPESI-AWEZNQCLSA-N 0 3 375.413 3.331 20 30 GGEDHN Cc1cccc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1C ZINC000179672601 1429500669 /nfs/dbraw/zinc/50/06/69/1429500669.db2.gz IRZIDXMLOZMJQS-UYAOXDASSA-N 0 3 396.560 3.425 20 30 GGEDHN CN(C)C(=O)Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179691249 1429508937 /nfs/dbraw/zinc/50/89/37/1429508937.db2.gz VRQZTHCEXBWELS-UHFFFAOYSA-N 0 3 376.504 3.265 20 30 GGEDHN CC(=O)OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000153301043 1422452413 /nfs/dbraw/zinc/45/24/13/1422452413.db2.gz JAQHOJBLEOBDMN-UHFFFAOYSA-N 0 3 389.521 3.245 20 30 GGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1c(F)cccc1F ZINC000153415235 1422523123 /nfs/dbraw/zinc/52/31/23/1422523123.db2.gz VNBPPKYOBPZWEZ-DOMZBBRYSA-N 0 3 399.397 3.118 20 30 GGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1c(F)cccc1F ZINC000153415130 1422523564 /nfs/dbraw/zinc/52/35/64/1422523564.db2.gz VNBPPKYOBPZWEZ-WFASDCNBSA-N 0 3 399.397 3.118 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)c2c(F)cccc2F)cc1 ZINC000153438420 1422536923 /nfs/dbraw/zinc/53/69/23/1422536923.db2.gz ULXHPHPCYDNHDB-BBRMVZONSA-N 0 3 386.398 3.145 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)c2c(F)cccc2F)cc1 ZINC000153438524 1422537241 /nfs/dbraw/zinc/53/72/41/1422537241.db2.gz ULXHPHPCYDNHDB-CJNGLKHVSA-N 0 3 386.398 3.145 20 30 GGEDHN COC(=O)c1cc(C)ccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000153654230 1422682576 /nfs/dbraw/zinc/68/25/76/1422682576.db2.gz LKRLTYSLCLYVRO-UHFFFAOYSA-N 0 3 394.475 3.249 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(CCCO)Cc2cccc(Cl)c2)CC1 ZINC000154122725 1422843177 /nfs/dbraw/zinc/84/31/77/1422843177.db2.gz SKEMMEIFJNLVAP-UHFFFAOYSA-N 0 3 379.932 3.275 20 30 GGEDHN COc1cccc2c1CC[C@@H]2NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000154715736 1423010178 /nfs/dbraw/zinc/01/01/78/1423010178.db2.gz PYGLVYKNVPUMMY-NRFANRHFSA-N 0 3 392.503 3.328 20 30 GGEDHN COc1cc(/C=C/C(=O)N2CCN(C3CCCCC3)CC2)ccc1OCC#N ZINC000154943073 1423086983 /nfs/dbraw/zinc/08/69/83/1423086983.db2.gz LBAZSBVCNDBZOM-CSKARUKUSA-N 0 3 383.492 3.088 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000154991607 1423101704 /nfs/dbraw/zinc/10/17/04/1423101704.db2.gz BZRBEGDQUIWUAB-NRFANRHFSA-N 0 3 394.471 3.265 20 30 GGEDHN COc1cc(N[C@H]2CCCN(C[C@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000155123200 1423181549 /nfs/dbraw/zinc/18/15/49/1423181549.db2.gz QJHHABNSQFQRDS-AVRDEDQJSA-N 0 3 381.476 3.185 20 30 GGEDHN C#CCOc1ccc([C@@H](C)NCc2cccc(OCCN3CCOCC3)c2)cc1 ZINC000155161888 1423203934 /nfs/dbraw/zinc/20/39/34/1423203934.db2.gz BSVHQSNXQHFIHL-HXUWFJFHSA-N 0 3 394.515 3.260 20 30 GGEDHN Cn1cc(CN2CCN(CCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179894171 1429628028 /nfs/dbraw/zinc/62/80/28/1429628028.db2.gz FMLWIWXDELXPSF-UHFFFAOYSA-N 0 3 385.515 3.319 20 30 GGEDHN N#Cc1ccc([C@@H](O)CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000155433789 1423361458 /nfs/dbraw/zinc/36/14/58/1423361458.db2.gz KVAHAKCWMKLZJM-QFIPXVFZSA-N 0 3 375.472 3.148 20 30 GGEDHN CS(=O)(=O)c1ccc(NC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1 ZINC000155443379 1423366701 /nfs/dbraw/zinc/36/67/01/1423366701.db2.gz XVPKEDKQMMKABA-INIZCTEOSA-N 0 3 397.481 3.459 20 30 GGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000155507426 1423392223 /nfs/dbraw/zinc/39/22/23/1423392223.db2.gz BBNNUVCLZUKXBH-IAGOWNOFSA-N 0 3 378.476 3.062 20 30 GGEDHN COc1cc(F)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000155631914 1423457110 /nfs/dbraw/zinc/45/71/10/1423457110.db2.gz DTJNPQRUYMEBKN-UHFFFAOYSA-N 0 3 388.418 3.441 20 30 GGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000155699388 1423492696 /nfs/dbraw/zinc/49/26/96/1423492696.db2.gz QJKQBNOVIZGWQT-KRWDZBQOSA-N 0 3 392.503 3.452 20 30 GGEDHN COc1cc(C)ccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000155732225 1423508793 /nfs/dbraw/zinc/50/87/93/1423508793.db2.gz BWESWCLJWOMLJY-UHFFFAOYSA-N 0 3 380.492 3.149 20 30 GGEDHN Cc1cc(C(=O)NC2CCN(CCCOc3cccc(C#N)c3)CC2)c(C)o1 ZINC000156046229 1423648276 /nfs/dbraw/zinc/64/82/76/1423648276.db2.gz SEPPJICYGWVENK-UHFFFAOYSA-N 0 3 381.476 3.431 20 30 GGEDHN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN(C)CC2CCOCC2)c1C#N ZINC000156163915 1423702045 /nfs/dbraw/zinc/70/20/45/1423702045.db2.gz WYNWIPJPDOLPPA-UHFFFAOYSA-N 0 3 380.492 3.263 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000156171031 1423705054 /nfs/dbraw/zinc/70/50/54/1423705054.db2.gz VRAOZQSLQHRKGC-UHFFFAOYSA-N 0 3 393.462 3.039 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000157073799 1423918142 /nfs/dbraw/zinc/91/81/42/1423918142.db2.gz MTJXNHUMMUFTLA-HXUWFJFHSA-N 0 3 384.524 3.123 20 30 GGEDHN Fc1ccc(C#CCN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000157321058 1423983982 /nfs/dbraw/zinc/98/39/82/1423983982.db2.gz YHABEIQFQXWWIV-QFIPXVFZSA-N 0 3 392.522 3.106 20 30 GGEDHN Cn1cc(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015512 1429692901 /nfs/dbraw/zinc/69/29/01/1429692901.db2.gz TUGIDIRTIMLFDH-KRWDZBQOSA-N 0 3 395.507 3.305 20 30 GGEDHN Cn1cc(CNCc2ccccc2Cn2cccn2)c(-c2ccc(C#N)cc2)n1 ZINC000180038130 1429707556 /nfs/dbraw/zinc/70/75/56/1429707556.db2.gz VDVNUVGGHFLNQQ-UHFFFAOYSA-N 0 3 382.471 3.493 20 30 GGEDHN C=CCC[C@@H](NCC(=O)Nc1cc(-n2nnnc2C)ccc1F)c1ccccc1 ZINC000180049370 1429713459 /nfs/dbraw/zinc/71/34/59/1429713459.db2.gz WJRGOKSKIYLEDL-LJQANCHMSA-N 0 3 394.454 3.345 20 30 GGEDHN Cc1nccn1-c1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000180070561 1429723583 /nfs/dbraw/zinc/72/35/83/1429723583.db2.gz QSXSBPKBAXNDHI-UHFFFAOYSA-N 0 3 383.459 3.138 20 30 GGEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159047285 1424404633 /nfs/dbraw/zinc/40/46/33/1424404633.db2.gz JZUFUEDLHBZQHU-JOCHJYFZSA-N 0 3 392.503 3.485 20 30 GGEDHN N#Cc1ccc(F)cc1CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000159063258 1424408660 /nfs/dbraw/zinc/40/86/60/1424408660.db2.gz JBCDYAVLRGDNQD-LJQANCHMSA-N 0 3 393.510 3.127 20 30 GGEDHN CCCCn1ncc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000159741189 1424531052 /nfs/dbraw/zinc/53/10/52/1424531052.db2.gz JFJYJLCKCCXACF-UHFFFAOYSA-N 0 3 382.512 3.459 20 30 GGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000159779427 1424535243 /nfs/dbraw/zinc/53/52/43/1424535243.db2.gz HHSKZKAGIVBXTN-UHFFFAOYSA-N 0 3 399.457 3.028 20 30 GGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCCN1CCN(CC)CC1 ZINC000159807188 1424537904 /nfs/dbraw/zinc/53/79/04/1424537904.db2.gz LMEAALUZNHNURL-UHFFFAOYSA-N 0 3 399.457 3.028 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000159944620 1424554546 /nfs/dbraw/zinc/55/45/46/1424554546.db2.gz OZQDQUCRLXSXLD-LAUBAEHRSA-N 0 3 392.503 3.387 20 30 GGEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000159999506 1424560522 /nfs/dbraw/zinc/56/05/22/1424560522.db2.gz SNGHMFRSONTZBG-FXAWDEMLSA-N 0 3 383.517 3.232 20 30 GGEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000159999387 1424560647 /nfs/dbraw/zinc/56/06/47/1424560647.db2.gz SNGHMFRSONTZBG-YLJYHZDGSA-N 0 3 383.517 3.232 20 30 GGEDHN C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000161341118 1424679307 /nfs/dbraw/zinc/67/93/07/1424679307.db2.gz SQBMHMYUSPEDIE-GOSISDBHSA-N 0 3 393.462 3.039 20 30 GGEDHN COc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC000161792162 1424764934 /nfs/dbraw/zinc/76/49/34/1424764934.db2.gz HGLJQSIFWRHMDY-UHFFFAOYSA-N 0 3 382.464 3.171 20 30 GGEDHN Cn1cc(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180132366 1429751546 /nfs/dbraw/zinc/75/15/46/1429751546.db2.gz QLXYNFFMONOLJA-SFHVURJKSA-N 0 3 393.535 3.333 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(C3CCCC3)o2)c1 ZINC000162404678 1424847104 /nfs/dbraw/zinc/84/71/04/1424847104.db2.gz KFYKBCTUBUYRJW-MRXNPFEDSA-N 0 3 382.420 3.016 20 30 GGEDHN COCCOc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162938870 1424909781 /nfs/dbraw/zinc/90/97/81/1424909781.db2.gz KARYVUJTNGCNJL-UHFFFAOYSA-N 0 3 396.491 3.179 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(F)cc1OCC#N ZINC000164073944 1425073889 /nfs/dbraw/zinc/07/38/89/1425073889.db2.gz KISOQSTZKHIABL-KXBFYZLASA-N 0 3 382.439 3.370 20 30 GGEDHN C=CCc1cc(OC)cc(CN2CCCN(c3nc(CC)ns3)CC2)c1O ZINC000164432865 1425111446 /nfs/dbraw/zinc/11/14/46/1425111446.db2.gz QXPBAGHUTBANHC-UHFFFAOYSA-N 0 3 388.537 3.256 20 30 GGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000170652716 1425278307 /nfs/dbraw/zinc/27/83/07/1425278307.db2.gz YDYXXVALKXJVOL-GOSISDBHSA-N 0 3 386.496 3.218 20 30 GGEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000170652718 1425278435 /nfs/dbraw/zinc/27/84/35/1425278435.db2.gz YDYXXVALKXJVOL-SFHVURJKSA-N 0 3 386.496 3.218 20 30 GGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1F ZINC000170673119 1425290518 /nfs/dbraw/zinc/29/05/18/1425290518.db2.gz KXCGMPJWBNVFCF-KBXCAEBGSA-N 0 3 395.434 3.369 20 30 GGEDHN Cc1oc(NC(=O)[C@H](C)N2CCCN(Cc3ccccc3)CC2)c(C#N)c1C ZINC000171225707 1425549520 /nfs/dbraw/zinc/54/95/20/1425549520.db2.gz PGQGNWAOKQZENB-KRWDZBQOSA-N 0 3 380.492 3.303 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cnc2onc(CC)c2c1 ZINC000171266284 1425583280 /nfs/dbraw/zinc/58/32/80/1425583280.db2.gz ICGJTPYQUMTOKR-AWEZNQCLSA-N 0 3 378.388 3.145 20 30 GGEDHN Cc1cccc(-n2cc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)c1 ZINC000171328848 1425619953 /nfs/dbraw/zinc/61/99/53/1425619953.db2.gz WDOZONLWNLPINN-MRXNPFEDSA-N 0 3 379.807 3.190 20 30 GGEDHN Cc1cccc(-n2cc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)c1 ZINC000171328852 1425620166 /nfs/dbraw/zinc/62/01/66/1425620166.db2.gz WDOZONLWNLPINN-INIZCTEOSA-N 0 3 379.807 3.190 20 30 GGEDHN N#CC(C(=O)CSC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000171366168 1425643510 /nfs/dbraw/zinc/64/35/10/1425643510.db2.gz OXTTXHVBWGJATL-STQMWFEESA-N 0 3 384.860 3.429 20 30 GGEDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000171631709 1425766062 /nfs/dbraw/zinc/76/60/62/1425766062.db2.gz GCRSCGHCMLASDB-CYBMUJFWSA-N 0 3 385.493 3.008 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000171679957 1425787326 /nfs/dbraw/zinc/78/73/26/1425787326.db2.gz MPVWVEIBQACUTH-HOTGVXAUSA-N 0 3 390.503 3.211 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cccnc2Oc2cccc(F)c2)CC1 ZINC000171710076 1425799750 /nfs/dbraw/zinc/79/97/50/1425799750.db2.gz NJOVGWCOUGODDX-UHFFFAOYSA-N 0 3 384.455 3.463 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nc(CCC)n(-c3ccccc3Cl)n2)CC1 ZINC000171716299 1425801125 /nfs/dbraw/zinc/80/11/25/1425801125.db2.gz LNRYFGHSYKYOBO-UHFFFAOYSA-N 0 3 387.915 3.253 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCCc2cn(-c3ccccc3)nc2C)CC1 ZINC000171716562 1425801594 /nfs/dbraw/zinc/80/15/94/1425801594.db2.gz OCEFDZGWMDJJOY-UHFFFAOYSA-N 0 3 381.524 3.063 20 30 GGEDHN C=CCN1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000171718055 1425802056 /nfs/dbraw/zinc/80/20/56/1425802056.db2.gz XWOSXTQQCKZGLD-UHFFFAOYSA-N 0 3 386.927 3.452 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nncn2-c2ccc(C(C)C)cc2)CC1 ZINC000171719956 1425802842 /nfs/dbraw/zinc/80/28/42/1425802842.db2.gz DZRSGLKMPNPLMH-UHFFFAOYSA-N 0 3 399.564 3.249 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)CC1 ZINC000171722000 1425803360 /nfs/dbraw/zinc/80/33/60/1425803360.db2.gz IBGVGRLZNVCXOU-UHFFFAOYSA-N 0 3 399.564 3.132 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)CC1 ZINC000171723250 1425803895 /nfs/dbraw/zinc/80/38/95/1425803895.db2.gz UDDGZHGVVXRSPY-UHFFFAOYSA-N 0 3 387.487 3.315 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 ZINC000171722950 1425803950 /nfs/dbraw/zinc/80/39/50/1425803950.db2.gz JHDWMXPUPFFCBY-UHFFFAOYSA-N 0 3 386.521 3.359 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nnc(C)n2-c2cc(C)ccc2C)CC1 ZINC000171727539 1425804475 /nfs/dbraw/zinc/80/44/75/1425804475.db2.gz CWHMAMUBANEMAJ-UHFFFAOYSA-N 0 3 399.564 3.051 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)CC1 ZINC000171729239 1425805236 /nfs/dbraw/zinc/80/52/36/1425805236.db2.gz STIMZYRSOXSWQC-UHFFFAOYSA-N 0 3 384.455 3.463 20 30 GGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCN(CC=C)CC2)cc1 ZINC000171737159 1425807383 /nfs/dbraw/zinc/80/73/83/1425807383.db2.gz MPCAAFPRYSBSAP-UHFFFAOYSA-N 0 3 382.508 3.273 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000171738641 1425807502 /nfs/dbraw/zinc/80/75/02/1425807502.db2.gz JIMGHGYPFZXMIQ-SFHVURJKSA-N 0 3 381.879 3.212 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCN([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000171739298 1425808148 /nfs/dbraw/zinc/80/81/48/1425808148.db2.gz CVSNXXHFEMMAGU-MRXNPFEDSA-N 0 3 392.494 3.003 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CC1 ZINC000171740384 1425808749 /nfs/dbraw/zinc/80/87/49/1425808749.db2.gz MGSUFTHJULPQCB-UHFFFAOYSA-N 0 3 384.524 3.475 20 30 GGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(OCC#N)cc2)c1 ZINC000172026912 1425877228 /nfs/dbraw/zinc/87/72/28/1425877228.db2.gz XUYYZRWHCGJRIF-UHFFFAOYSA-N 0 3 380.492 3.171 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(OC3CCC(C)CC3)c2)CC1 ZINC000172227294 1425955457 /nfs/dbraw/zinc/95/54/57/1425955457.db2.gz PRXFLUAAKLOCOL-UHFFFAOYSA-N 0 3 386.540 3.489 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)CC1 ZINC000173102303 1426342793 /nfs/dbraw/zinc/34/27/93/1426342793.db2.gz GWEAQDYABGFGRU-UHFFFAOYSA-N 0 3 390.434 3.448 20 30 GGEDHN C[C@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)CN1CCN(C)CC1 ZINC000173121937 1426351592 /nfs/dbraw/zinc/35/15/92/1426351592.db2.gz OXZNOJZVJASGAN-SJORKVTESA-N 0 3 389.569 3.086 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198605 1426387755 /nfs/dbraw/zinc/38/77/55/1426387755.db2.gz IKLQBYJCOJRLDX-FUHWJXTLSA-N 0 3 394.560 3.020 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCc2ccc(C)cc2)C[C@H]2CCCO2)CC1 ZINC000173197783 1426387779 /nfs/dbraw/zinc/38/77/79/1426387779.db2.gz WOGWPQVAPWYUOJ-JOCHJYFZSA-N 0 3 385.552 3.379 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198623 1426387815 /nfs/dbraw/zinc/38/78/15/1426387815.db2.gz IKLQBYJCOJRLDX-SJLPKXTDSA-N 0 3 394.560 3.020 20 30 GGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173222663 1426404976 /nfs/dbraw/zinc/40/49/76/1426404976.db2.gz BJGJFKJKFXPBIJ-FQEVSTJZSA-N 0 3 383.517 3.091 20 30 GGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000173223320 1426406721 /nfs/dbraw/zinc/40/67/21/1426406721.db2.gz KMWXPVBEMCJQRT-HXUWFJFHSA-N 0 3 383.517 3.091 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC(C)C)c(Cl)c2)CC1 ZINC000173271016 1426448988 /nfs/dbraw/zinc/44/89/88/1426448988.db2.gz VUIDXKYCMZLBEP-UHFFFAOYSA-N 0 3 393.915 3.080 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C)c(OCCC(C)C)c2)CC1 ZINC000173273783 1426452367 /nfs/dbraw/zinc/45/23/67/1426452367.db2.gz UGXDXYPWFMBGIU-UHFFFAOYSA-N 0 3 387.524 3.125 20 30 GGEDHN CN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173704511 1426826793 /nfs/dbraw/zinc/82/67/93/1426826793.db2.gz FGSNMGVHLWNCCK-OAQYLSRUSA-N 0 3 377.488 3.254 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)c1cc2c(C(C)C)nn(C)c2s1 ZINC000173940499 1426900892 /nfs/dbraw/zinc/90/08/92/1426900892.db2.gz VINGRFMNRVRMRU-AWEZNQCLSA-N 0 3 390.509 3.012 20 30 GGEDHN COc1ccc([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)N2CCCC2)cc1 ZINC000173972172 1426917412 /nfs/dbraw/zinc/91/74/12/1426917412.db2.gz WTKXYDLWXHGPHK-OAQYLSRUSA-N 0 3 396.466 3.342 20 30 GGEDHN CCCNC(=O)CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000173976151 1426920689 /nfs/dbraw/zinc/92/06/89/1426920689.db2.gz XTOUSCSNELQJPB-LBPRGKRZSA-N 0 3 384.263 3.337 20 30 GGEDHN CC(C)NC(=O)CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173981249 1426924606 /nfs/dbraw/zinc/92/46/06/1426924606.db2.gz ONUALTKLXYAMGZ-CQSZACIVSA-N 0 3 384.263 3.336 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)CCc2ccccc2F)cc1 ZINC000173995317 1426932252 /nfs/dbraw/zinc/93/22/52/1426932252.db2.gz FSHLJGSFOCDWBR-OXQOHEQNSA-N 0 3 396.462 3.471 20 30 GGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(Br)s1 ZINC000174011054 1426942338 /nfs/dbraw/zinc/94/23/38/1426942338.db2.gz HRUDEEYKBOLSJA-VHSXEESVSA-N 0 3 378.251 3.357 20 30 GGEDHN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174011123 1426942595 /nfs/dbraw/zinc/94/25/95/1426942595.db2.gz FILCTIPYKNDCJR-OAHLLOKOSA-N 0 3 379.807 3.190 20 30 GGEDHN C[C@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(Br)s1 ZINC000174011079 1426942719 /nfs/dbraw/zinc/94/27/19/1426942719.db2.gz HRUDEEYKBOLSJA-UWVGGRQHSA-N 0 3 378.251 3.357 20 30 GGEDHN COc1ccc(CNCc2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174257272 1427072538 /nfs/dbraw/zinc/07/25/38/1427072538.db2.gz HDIQXKABLDBRKS-ROUUACIJSA-N 0 3 379.504 3.466 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)o1 ZINC000174327557 1427103791 /nfs/dbraw/zinc/10/37/91/1427103791.db2.gz RZTBETZHGWXXRR-SFHVURJKSA-N 0 3 379.382 3.333 20 30 GGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000174355972 1427117592 /nfs/dbraw/zinc/11/75/92/1427117592.db2.gz POMBHEJVMFFZGF-UHFFFAOYSA-N 0 3 388.515 3.285 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)NCc3cc(C#N)ccc3F)cc2)CC1 ZINC000174401754 1427141315 /nfs/dbraw/zinc/14/13/15/1427141315.db2.gz MFGZEJVPXXPFNS-UHFFFAOYSA-N 0 3 380.467 3.158 20 30 GGEDHN Cc1cccc(N2CCN(CCC(=O)N(C)Cc3ccc(C#N)cc3)CC2)c1 ZINC000174574653 1427234745 /nfs/dbraw/zinc/23/47/45/1427234745.db2.gz JHBZFHHFSZKWGG-UHFFFAOYSA-N 0 3 376.504 3.037 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccccc1 ZINC000174578993 1427237779 /nfs/dbraw/zinc/23/77/79/1427237779.db2.gz XHQMBQNHISTTLB-FQEVSTJZSA-N 0 3 378.476 3.005 20 30 GGEDHN C=C(C)COc1cc(CNCc2ccccc2CS(C)(=O)=O)ccc1OC ZINC000174995382 1427486214 /nfs/dbraw/zinc/48/62/14/1427486214.db2.gz QJDCKURGWCGBLA-UHFFFAOYSA-N 0 3 389.517 3.485 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000175511134 1427797749 /nfs/dbraw/zinc/79/77/49/1427797749.db2.gz UWNIFOOZLPZOJG-ROUUACIJSA-N 0 3 377.554 3.386 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000175614114 1427832007 /nfs/dbraw/zinc/83/20/07/1427832007.db2.gz UAUYVDQFVDUYKN-UHFFFAOYSA-N 0 3 378.501 3.378 20 30 GGEDHN CN(C)CCn1c2cc(NC(=O)c3cccc(SCC#N)c3)ccc2oc1=O ZINC000175702560 1427864271 /nfs/dbraw/zinc/86/42/71/1427864271.db2.gz RWVKQCDCICXVAE-UHFFFAOYSA-N 0 3 396.472 3.024 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(C)ccc2Oc2ccccc2)CC1 ZINC000175781077 1427890550 /nfs/dbraw/zinc/89/05/50/1427890550.db2.gz ZQZYFCWNRISLJL-UHFFFAOYSA-N 0 3 393.487 3.492 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175837721 1427921211 /nfs/dbraw/zinc/92/12/11/1427921211.db2.gz QLLHBEXXOYPFEQ-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN C[C@@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000175844937 1427926508 /nfs/dbraw/zinc/92/65/08/1427926508.db2.gz XNHGMRBZGNFDAT-DYESRHJHSA-N 0 3 383.517 3.031 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)C1 ZINC000176019115 1428029976 /nfs/dbraw/zinc/02/99/76/1428029976.db2.gz IHIUGRBXDMPGDG-JFIYKMOQSA-N 0 3 378.428 3.467 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000176055084 1428054714 /nfs/dbraw/zinc/05/47/14/1428054714.db2.gz NDMZRDOGCNRVML-UHFFFAOYSA-N 0 3 379.426 3.397 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)cc2OC2CCCC2)CC1 ZINC000176056398 1428055647 /nfs/dbraw/zinc/05/56/47/1428055647.db2.gz IWIIZXNAMWPTBS-UHFFFAOYSA-N 0 3 387.524 3.466 20 30 GGEDHN CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176060150 1428058794 /nfs/dbraw/zinc/05/87/94/1428058794.db2.gz HCUCRHGFRZXSIG-UHFFFAOYSA-N 0 3 392.503 3.306 20 30 GGEDHN C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1cc(CN(C)C)ccc1C ZINC000176064203 1428062855 /nfs/dbraw/zinc/06/28/55/1428062855.db2.gz PGIJZGDGTLQDIQ-UHFFFAOYSA-N 0 3 383.467 3.349 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H]2c2c(C)n[nH]c2C)c(OC)c1 ZINC000180524288 1429889328 /nfs/dbraw/zinc/88/93/28/1429889328.db2.gz PCXBPRRHDILIKF-OALUTQOASA-N 0 3 385.508 3.340 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538705 1429893235 /nfs/dbraw/zinc/89/32/35/1429893235.db2.gz IOWZYTHBUAKQDW-ZWKOTPCHSA-N 0 3 381.879 3.259 20 30 GGEDHN C=C(C)COc1cc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)ccc1OC ZINC000180656584 1429960243 /nfs/dbraw/zinc/96/02/43/1429960243.db2.gz DNBKHVUFHCQORR-RXVVDRJESA-N 0 3 385.508 3.329 20 30 GGEDHN C=C(C)COc1cc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)ccc1OC ZINC000180656608 1429960396 /nfs/dbraw/zinc/96/03/96/1429960396.db2.gz DNBKHVUFHCQORR-NQIIRXRSSA-N 0 3 385.508 3.329 20 30 GGEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000180873561 1430080566 /nfs/dbraw/zinc/08/05/66/1430080566.db2.gz JVCYVRQVHOEUOX-ANZZGNCFSA-N 0 3 391.471 3.443 20 30 GGEDHN Cc1nc(Cc2ccccc2)sc1[C@@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180877025 1430082915 /nfs/dbraw/zinc/08/29/15/1430082915.db2.gz XURDLYXBDOGQDS-DIGCTUSJSA-N 0 3 396.516 3.219 20 30 GGEDHN C#CCOc1ccc([C@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921845 1430116231 /nfs/dbraw/zinc/11/62/31/1430116231.db2.gz DZJPIIKTIVODGK-HTAPYJJXSA-N 0 3 378.472 3.159 20 30 GGEDHN C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000180936360 1430124080 /nfs/dbraw/zinc/12/40/80/1430124080.db2.gz GZJHCSJXGYQKTA-KRWDZBQOSA-N 0 3 389.565 3.077 20 30 GGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186571 1430241860 /nfs/dbraw/zinc/24/18/60/1430241860.db2.gz PZBDFIYHGHIRSQ-QAPCUYQASA-N 0 3 388.899 3.316 20 30 GGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186532 1430241965 /nfs/dbraw/zinc/24/19/65/1430241965.db2.gz PZBDFIYHGHIRSQ-YJBOKZPZSA-N 0 3 388.899 3.316 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181191165 1430243278 /nfs/dbraw/zinc/24/32/78/1430243278.db2.gz IZPIKQYVYWXEQH-GHTZIAJQSA-N 0 3 384.501 3.089 20 30 GGEDHN CC(C)(C)OC(=O)c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000181258775 1430257692 /nfs/dbraw/zinc/25/76/92/1430257692.db2.gz BEOMLXGPDRBKRJ-MRXNPFEDSA-N 0 3 380.448 3.450 20 30 GGEDHN C[C@@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181272627 1430260442 /nfs/dbraw/zinc/26/04/42/1430260442.db2.gz XTVUIKFLGYWPPK-JKSUJKDBSA-N 0 3 384.480 3.025 20 30 GGEDHN CCN1CCN(CCCNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181361486 1430281857 /nfs/dbraw/zinc/28/18/57/1430281857.db2.gz BWSFBIIYYLXISI-UHFFFAOYSA-N 0 3 392.503 3.108 20 30 GGEDHN C[C@@H](NCCC(=O)Nc1sccc1C#N)c1cccc(N2CCCC2=O)c1 ZINC000181407412 1430290337 /nfs/dbraw/zinc/29/03/37/1430290337.db2.gz UDNDNHVLOXSISJ-CQSZACIVSA-N 0 3 382.489 3.426 20 30 GGEDHN C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000181410121 1430290833 /nfs/dbraw/zinc/29/08/33/1430290833.db2.gz LKOXOIBBTCMKLF-RTWAWAEBSA-N 0 3 399.583 3.370 20 30 GGEDHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181420564 1430294200 /nfs/dbraw/zinc/29/42/00/1430294200.db2.gz QULQPYFMDRZEOI-MRXNPFEDSA-N 0 3 376.460 3.364 20 30 GGEDHN N#CC(C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000181500469 1430311424 /nfs/dbraw/zinc/31/14/24/1430311424.db2.gz XNPYBTFDSMEVBP-CQSZACIVSA-N 0 3 385.855 3.332 20 30 GGEDHN C[C@@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181612582 1430327865 /nfs/dbraw/zinc/32/78/65/1430327865.db2.gz IFRKMRKJTCDELE-LJQANCHMSA-N 0 3 395.503 3.151 20 30 GGEDHN N#CCCn1cc(CN[C@H]2CC(=O)N(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000181959324 1430388450 /nfs/dbraw/zinc/38/84/50/1430388450.db2.gz FEZMFSVQVXQANI-FQEVSTJZSA-N 0 3 385.471 3.359 20 30 GGEDHN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968266 1430389839 /nfs/dbraw/zinc/38/98/39/1430389839.db2.gz JUVDEVONMSUURW-HRAATJIYSA-N 0 3 379.460 3.049 20 30 GGEDHN C=CCSc1ccccc1NC(=O)CN[C@H](CC(N)=O)C1CCCCC1 ZINC000182043871 1430401257 /nfs/dbraw/zinc/40/12/57/1430401257.db2.gz KVWMYERBAWHZNO-QGZVFWFLSA-N 0 3 375.538 3.317 20 30 GGEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@H]1CCCO1 ZINC000182336184 1430450169 /nfs/dbraw/zinc/45/01/69/1430450169.db2.gz MILOYUNSLGNLBJ-VQTJNVASSA-N 0 3 380.492 3.452 20 30 GGEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@H]1CCCO1 ZINC000182352676 1430452477 /nfs/dbraw/zinc/45/24/77/1430452477.db2.gz DHTKTPWAJRCYRV-RTBURBONSA-N 0 3 384.480 3.104 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(CN4CCOCC4)cc3)CC2)cc1 ZINC000182596260 1430499206 /nfs/dbraw/zinc/49/92/06/1430499206.db2.gz XMOJWBFLHXMBAK-UHFFFAOYSA-N 0 3 390.531 3.467 20 30 GGEDHN CC[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594513 1430499377 /nfs/dbraw/zinc/49/93/77/1430499377.db2.gz QFGWGEUYRSSZQA-RBUKOAKNSA-N 0 3 376.932 3.073 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3ccccc3SCC(N)=O)CC2)cc1 ZINC000182654749 1430511129 /nfs/dbraw/zinc/51/11/29/1430511129.db2.gz FIYDFMJEYLTFJD-UHFFFAOYSA-N 0 3 380.517 3.212 20 30 GGEDHN CC1CCC(N2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000182792914 1430541077 /nfs/dbraw/zinc/54/10/77/1430541077.db2.gz MRCSILALTVOKFE-ZNIKRAEXSA-N 0 3 380.536 3.250 20 30 GGEDHN Cc1c([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005389 1430590541 /nfs/dbraw/zinc/59/05/41/1430590541.db2.gz AXPNVHWICCZTFB-QRWLVFNGSA-N 0 3 394.450 3.282 20 30 GGEDHN CCNC(=O)COc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000183033037 1430597495 /nfs/dbraw/zinc/59/74/95/1430597495.db2.gz GVOLMQSNPDOHHN-UHFFFAOYSA-N 0 3 392.503 3.150 20 30 GGEDHN CC[C@H](C)Oc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccn1 ZINC000183065665 1430603320 /nfs/dbraw/zinc/60/33/20/1430603320.db2.gz ZSCPJVXZSNDKLM-KRWDZBQOSA-N 0 3 380.492 3.335 20 30 GGEDHN N#CCCn1cc(CN2CCOCC3(CCOCC3)C2)c(-c2ccccc2)n1 ZINC000183271145 1430666340 /nfs/dbraw/zinc/66/63/40/1430666340.db2.gz BHDYQIBYVMNEAJ-UHFFFAOYSA-N 0 3 380.492 3.093 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000183565657 1430743250 /nfs/dbraw/zinc/74/32/50/1430743250.db2.gz QCUUFCPVZBGEJN-GOSISDBHSA-N 0 3 376.932 3.258 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)Nc2ccccc2)CC1 ZINC000183810133 1430799034 /nfs/dbraw/zinc/79/90/34/1430799034.db2.gz GDRVPDQAXPEYHD-FQEVSTJZSA-N 0 3 399.539 3.023 20 30 GGEDHN CCN(CCO)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000183915705 1430812727 /nfs/dbraw/zinc/81/27/27/1430812727.db2.gz LBYPAOHVJWQPOS-UHFFFAOYSA-N 0 3 387.867 3.048 20 30 GGEDHN CCN(CCO)CCNC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000183918487 1430813130 /nfs/dbraw/zinc/81/31/30/1430813130.db2.gz LUMWOXVLQVZIFZ-UHFFFAOYSA-N 0 3 387.867 3.048 20 30 GGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183966141 1430819921 /nfs/dbraw/zinc/81/99/21/1430819921.db2.gz UPSCVGZBDXEANN-HNNXBMFYSA-N 0 3 398.438 3.299 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)c2)CC1 ZINC000184272057 1430865730 /nfs/dbraw/zinc/86/57/30/1430865730.db2.gz FUDGTQIQPUNEDX-UHFFFAOYSA-N 0 3 392.503 3.496 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)CSc3ccc(C#N)cc3)c2)CC1 ZINC000184282598 1430867471 /nfs/dbraw/zinc/86/74/71/1430867471.db2.gz DLJSMKHZXVYVCC-UHFFFAOYSA-N 0 3 380.517 3.431 20 30 GGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184299596 1430870522 /nfs/dbraw/zinc/87/05/22/1430870522.db2.gz OVXQHLVASWLVQN-OAHLLOKOSA-N 0 3 399.457 3.026 20 30 GGEDHN C#CCNC(=O)c1ccc(NC[C@@H](c2cccc(C(F)(F)F)c2)N(C)C)nc1 ZINC000184351100 1430876484 /nfs/dbraw/zinc/87/64/84/1430876484.db2.gz DGHJDBOMDCWFLC-KRWDZBQOSA-N 0 3 390.409 3.178 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000184605113 1430916903 /nfs/dbraw/zinc/91/69/03/1430916903.db2.gz UBGULJXGKJDASI-UHFFFAOYSA-N 0 3 386.496 3.066 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000184610220 1430918464 /nfs/dbraw/zinc/91/84/64/1430918464.db2.gz MJPHTZQXYXFQOD-HXUWFJFHSA-N 0 3 396.491 3.316 20 30 GGEDHN CCN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184610928 1430919189 /nfs/dbraw/zinc/91/91/89/1430919189.db2.gz WAHFJEWJETZLIT-OAQYLSRUSA-N 0 3 392.503 3.395 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccccc1 ZINC000184622852 1430921936 /nfs/dbraw/zinc/92/19/36/1430921936.db2.gz SBRRETGIQPIOMA-UHFFFAOYSA-N 0 3 396.491 3.179 20 30 GGEDHN C=C(C)[C@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652839 1430931265 /nfs/dbraw/zinc/93/12/65/1430931265.db2.gz ZFBJEPMIXYKTLW-UZLBHIALSA-N 0 3 394.510 3.155 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000184706829 1430947711 /nfs/dbraw/zinc/94/77/11/1430947711.db2.gz XXKZUSAMYBZLKG-UHFFFAOYSA-N 0 3 389.805 3.064 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)N(C)Cc3ccc(C#N)cc3)c2)CC1 ZINC000184883900 1431012226 /nfs/dbraw/zinc/01/22/26/1431012226.db2.gz HMIXHYGAGDHDCS-UHFFFAOYSA-N 0 3 377.492 3.364 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)N(CCC#N)Cc3ccco3)c2)CC1 ZINC000184895710 1431015508 /nfs/dbraw/zinc/01/55/08/1431015508.db2.gz WATBLQOZDGAOLD-UHFFFAOYSA-N 0 3 381.480 3.369 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)N(C)Cc3cccc(C#N)c3)c2)CC1 ZINC000184923411 1431022350 /nfs/dbraw/zinc/02/23/50/1431022350.db2.gz ZDWMTQVIUATESM-UHFFFAOYSA-N 0 3 377.492 3.364 20 30 GGEDHN C#CCOc1ccc([C@H](C)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000185300639 1431105163 /nfs/dbraw/zinc/10/51/63/1431105163.db2.gz SOWBHFCZULIHIL-KRWDZBQOSA-N 0 3 384.501 3.089 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000185506274 1431160208 /nfs/dbraw/zinc/16/02/08/1431160208.db2.gz CKUBRSKNFCUFQY-NRFANRHFSA-N 0 3 397.515 3.147 20 30 GGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1 ZINC000186039266 1431317348 /nfs/dbraw/zinc/31/73/48/1431317348.db2.gz FQLKMRXLPQKFBC-QGZVFWFLSA-N 0 3 384.501 3.089 20 30 GGEDHN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000186478679 1431430868 /nfs/dbraw/zinc/43/08/68/1431430868.db2.gz UMIPYVUUZDVVSS-SBUREZEXSA-N 0 3 392.503 3.475 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)CC1 ZINC000186688556 1431492821 /nfs/dbraw/zinc/49/28/21/1431492821.db2.gz LGSIBMCDOJXKSZ-UHFFFAOYSA-N 0 3 378.472 3.306 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186941495 1431572280 /nfs/dbraw/zinc/57/22/80/1431572280.db2.gz QCRRGHJHHRCUKI-QFIPXVFZSA-N 0 3 399.506 3.364 20 30 GGEDHN Cc1cnc([C@@H](C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000187080539 1431608272 /nfs/dbraw/zinc/60/82/72/1431608272.db2.gz RHMRREGEHLCQRA-HNNXBMFYSA-N 0 3 385.537 3.200 20 30 GGEDHN C#CCOc1ccccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000187198971 1431644623 /nfs/dbraw/zinc/64/46/23/1431644623.db2.gz SFNZOCDWYLIDHC-UHFFFAOYSA-N 0 3 377.488 3.240 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187238658 1431661377 /nfs/dbraw/zinc/66/13/77/1431661377.db2.gz BMEQLXNFNUYQGB-JTSKRJEESA-N 0 3 381.524 3.154 20 30 GGEDHN C#CCN1CCC(C(=O)N(Cc2ccccn2)c2ccc(N(C)C)cc2)CC1 ZINC000187299599 1431687051 /nfs/dbraw/zinc/68/70/51/1431687051.db2.gz GQIGASFVCXDAGH-UHFFFAOYSA-N 0 3 376.504 3.026 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CC1 ZINC000187824704 1431816794 /nfs/dbraw/zinc/81/67/94/1431816794.db2.gz DLCFVBDFUOGWQS-UHFFFAOYSA-N 0 3 382.508 3.148 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3Cl)C2)CC1 ZINC000188041046 1431839240 /nfs/dbraw/zinc/83/92/40/1431839240.db2.gz RTIKQGIXNPKOKP-GOSISDBHSA-N 0 3 381.879 3.212 20 30 GGEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccncc1 ZINC000188228847 1431863371 /nfs/dbraw/zinc/86/33/71/1431863371.db2.gz DKTOBRWOWGSLRU-UHFFFAOYSA-N 0 3 386.569 3.034 20 30 GGEDHN C=CC[C@@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000188274339 1431868482 /nfs/dbraw/zinc/86/84/82/1431868482.db2.gz UUTTWTXTVBRASF-HSZRJFAPSA-N 0 3 377.532 3.410 20 30 GGEDHN CC(C)OCCN1CCC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000188731697 1431948801 /nfs/dbraw/zinc/94/88/01/1431948801.db2.gz MBGVOSVLMFAYEF-UHFFFAOYSA-N 0 3 382.426 3.063 20 30 GGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000189028976 1432029699 /nfs/dbraw/zinc/02/96/99/1432029699.db2.gz AEHSIZXJFMRZDL-KNQAVFIVSA-N 0 3 387.524 3.020 20 30 GGEDHN C=C[C@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000189029000 1432030007 /nfs/dbraw/zinc/03/00/07/1432030007.db2.gz AEHSIZXJFMRZDL-DENIHFKCSA-N 0 3 387.524 3.020 20 30 GGEDHN C=C(C)COc1cc(CNCCN2CCc3ccccc3C2=O)ccc1OC ZINC000189054741 1432035465 /nfs/dbraw/zinc/03/54/65/1432035465.db2.gz VMEWJIKQVHTSLE-UHFFFAOYSA-N 0 3 380.488 3.438 20 30 GGEDHN C[C@H]1CN(CCCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000189063329 1432037829 /nfs/dbraw/zinc/03/78/29/1432037829.db2.gz VXPFIHXUSXEKIS-HOTGVXAUSA-N 0 3 382.426 3.063 20 30 GGEDHN CN(C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)C1(C#N)CCCCC1 ZINC000189479299 1432127961 /nfs/dbraw/zinc/12/79/61/1432127961.db2.gz XDIFBSCHSXUGQG-IAGOWNOFSA-N 0 3 392.544 3.097 20 30 GGEDHN CCOC(=O)c1ccc(N2CCCN([C@@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000189941730 1432282393 /nfs/dbraw/zinc/28/23/93/1432282393.db2.gz NFJJUCVTLPZWQM-KRWDZBQOSA-N 0 3 378.476 3.403 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190144473 1432327536 /nfs/dbraw/zinc/32/75/36/1432327536.db2.gz BJFQHCDYDYEVTC-OAQYLSRUSA-N 0 3 377.488 3.274 20 30 GGEDHN COc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603550 1432417238 /nfs/dbraw/zinc/41/72/38/1432417238.db2.gz HGXRUOFXPIBFHX-FCHUYYIVSA-N 0 3 375.472 3.335 20 30 GGEDHN COc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603590 1432417500 /nfs/dbraw/zinc/41/75/00/1432417500.db2.gz HGXRUOFXPIBFHX-VXKWHMMOSA-N 0 3 375.472 3.335 20 30 GGEDHN CC[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000190617675 1432421810 /nfs/dbraw/zinc/42/18/10/1432421810.db2.gz UYEIPDLTYMMMBI-WOJBJXKFSA-N 0 3 391.471 3.171 20 30 GGEDHN Cc1cc(NC(=O)COc2ccccc2C#N)cc(N2CCN(C(C)C)CC2)c1 ZINC000190799516 1432484883 /nfs/dbraw/zinc/48/48/83/1432484883.db2.gz GEGVTGFYMDJFBI-UHFFFAOYSA-N 0 3 392.503 3.415 20 30 GGEDHN N#CC(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190955701 1432537406 /nfs/dbraw/zinc/53/74/06/1432537406.db2.gz DNUYZSZUYPDMNJ-CQSZACIVSA-N 0 3 384.355 3.214 20 30 GGEDHN CC(C)Cn1nc(C(=O)C(C#N)c2cnc3ccccc3n2)c2ccccc2c1=O ZINC000190999255 1432546844 /nfs/dbraw/zinc/54/68/44/1432546844.db2.gz QSVXHNWTKILBKL-KRWDZBQOSA-N 0 3 397.438 3.486 20 30 GGEDHN CC(C)Cn1nc(C(=O)C(C#N)c2cnc3ccccc3n2)c2ccccc2c1=O ZINC000190999274 1432546895 /nfs/dbraw/zinc/54/68/95/1432546895.db2.gz QSVXHNWTKILBKL-QGZVFWFLSA-N 0 3 397.438 3.486 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000191253641 1432607035 /nfs/dbraw/zinc/60/70/35/1432607035.db2.gz FXSALLFJYPXFSQ-UWJYYQICSA-N 0 3 395.503 3.388 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN(CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191355631 1432639897 /nfs/dbraw/zinc/63/98/97/1432639897.db2.gz CGGHKDMXILCEBI-HSZRJFAPSA-N 0 3 387.483 3.438 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c(O)cccc21 ZINC000191394815 1432651699 /nfs/dbraw/zinc/65/16/99/1432651699.db2.gz HDLZXGQAVCEWGW-OAQYLSRUSA-N 0 3 392.503 3.415 20 30 GGEDHN Cc1ccc(CN2CC[C@H](NCc3ccc(N(C)CCC#N)cc3)C2=O)cc1 ZINC000191806246 1432729382 /nfs/dbraw/zinc/72/93/82/1432729382.db2.gz RLOXHACREXIULR-QFIPXVFZSA-N 0 3 376.504 3.236 20 30 GGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191910864 1432753562 /nfs/dbraw/zinc/75/35/62/1432753562.db2.gz CPYLFMPMKPNMSP-LJQANCHMSA-N 0 3 382.439 3.110 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000191918075 1432755522 /nfs/dbraw/zinc/75/55/22/1432755522.db2.gz SIXMGETZHAWLSC-FQEVSTJZSA-N 0 3 378.476 3.279 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192014463 1432779905 /nfs/dbraw/zinc/77/99/05/1432779905.db2.gz YXVASBUQYRFEIM-FQEVSTJZSA-N 0 3 399.466 3.306 20 30 GGEDHN O=C(NCC(F)(F)C(F)F)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000192020148 1432780628 /nfs/dbraw/zinc/78/06/28/1432780628.db2.gz NSASRSMSWLCGFQ-AWEZNQCLSA-N 0 3 386.311 3.458 20 30 GGEDHN N#CCSc1cccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000192220493 1432818969 /nfs/dbraw/zinc/81/89/69/1432818969.db2.gz GNTWJWNATGGRRX-FQEVSTJZSA-N 0 3 395.528 3.323 20 30 GGEDHN C=CCn1c(Cc2ccccc2)nn(CN2CCN(CC(C)C)CC2)c1=S ZINC000192793766 1432892067 /nfs/dbraw/zinc/89/20/67/1432892067.db2.gz QAOUCLHSYKALRI-UHFFFAOYSA-N 0 3 385.581 3.422 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000192985256 1432917473 /nfs/dbraw/zinc/91/74/73/1432917473.db2.gz NJWPLWBXLOEQIC-KRWDZBQOSA-N 0 3 389.908 3.012 20 30 GGEDHN CN(C)Cc1cccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 ZINC000193003935 1432920568 /nfs/dbraw/zinc/92/05/68/1432920568.db2.gz GGYDYCRMWLLDNN-UHFFFAOYSA-N 0 3 381.455 3.113 20 30 GGEDHN CN(C)[C@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000193068895 1432931504 /nfs/dbraw/zinc/93/15/04/1432931504.db2.gz UPIOMEQJQKUVFN-JOCHJYFZSA-N 0 3 391.519 3.083 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146455 1432944494 /nfs/dbraw/zinc/94/44/94/1432944494.db2.gz HCNHWYDFLKZQTQ-FQEVSTJZSA-N 0 3 399.922 3.159 20 30 GGEDHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000193192318 1432954726 /nfs/dbraw/zinc/95/47/26/1432954726.db2.gz KRMSTGXJBGDVGP-HNNXBMFYSA-N 0 3 392.525 3.231 20 30 GGEDHN Cc1nc2c(cnn2C(C)C)cc1C(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000193261188 1432969779 /nfs/dbraw/zinc/96/97/79/1432969779.db2.gz NALVIZJVFXMGFK-INIZCTEOSA-N 0 3 377.452 3.129 20 30 GGEDHN COc1ccc(C)cc1N1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000193281209 1432973800 /nfs/dbraw/zinc/97/38/00/1432973800.db2.gz GSHHTLWZYAEMGP-CABCVRRESA-N 0 3 389.411 3.374 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000193371024 1432986826 /nfs/dbraw/zinc/98/68/26/1432986826.db2.gz FUFOHBLFDQVPGY-WFASDCNBSA-N 0 3 381.270 3.232 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000193371696 1432986924 /nfs/dbraw/zinc/98/69/24/1432986924.db2.gz ZZIIWJPNGRZYSH-INIZCTEOSA-N 0 3 382.464 3.059 20 30 GGEDHN Cc1nc(-c2ncccn2)sc1C(=O)C(C#N)C(=O)Nc1cccc(C)c1 ZINC000193376622 1432987467 /nfs/dbraw/zinc/98/74/67/1432987467.db2.gz SZPWHGPYEDKWNC-AWEZNQCLSA-N 0 3 377.429 3.178 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C(F)(F)F)nc1C ZINC000193377888 1432987742 /nfs/dbraw/zinc/98/77/42/1432987742.db2.gz NNPRNQUIKURSJV-LBPRGKRZSA-N 0 3 377.322 3.379 20 30 GGEDHN C[C@@H]1CN(CCN(C)Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000193398889 1432991274 /nfs/dbraw/zinc/99/12/74/1432991274.db2.gz ATDITXRFLVTSJO-KDURUIRLSA-N 0 3 381.524 3.005 20 30 GGEDHN Cc1ccc(-n2cc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)cc1 ZINC000193403212 1432991812 /nfs/dbraw/zinc/99/18/12/1432991812.db2.gz RYUIGEAQTJTEIJ-INIZCTEOSA-N 0 3 379.807 3.190 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccccn2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000193404289 1432992144 /nfs/dbraw/zinc/99/21/44/1432992144.db2.gz BWERPKYQNZOHST-CQSZACIVSA-N 0 3 395.806 3.065 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000193443499 1433000020 /nfs/dbraw/zinc/00/00/20/1433000020.db2.gz DWDDYQSYWZJEJU-CYBMUJFWSA-N 0 3 399.332 3.247 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000193457983 1433002587 /nfs/dbraw/zinc/00/25/87/1433002587.db2.gz ZOFCJVUDIXOXEN-SFHVURJKSA-N 0 3 388.427 3.161 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(-c2ccccc2)o1 ZINC000193469440 1433004274 /nfs/dbraw/zinc/00/42/74/1433004274.db2.gz KHZZCXUFOFIIPD-HNNXBMFYSA-N 0 3 390.399 3.025 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)cc1OC ZINC000193471809 1433004928 /nfs/dbraw/zinc/00/49/28/1433004928.db2.gz VQSGNSGQSOPZAR-CYBMUJFWSA-N 0 3 390.798 3.386 20 30 GGEDHN C#CCN1C(=O)c2ccccc2NC12CCN(CCc1ccc(F)cc1)CC2 ZINC000193511283 1433011777 /nfs/dbraw/zinc/01/17/77/1433011777.db2.gz ZIHRRMWSNCONSF-UHFFFAOYSA-N 0 3 377.463 3.361 20 30 GGEDHN CCCc1ccccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193573227 1433021857 /nfs/dbraw/zinc/02/18/57/1433021857.db2.gz PSPZJBVKITVPSF-UHFFFAOYSA-N 0 3 392.503 3.040 20 30 GGEDHN CCCc1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000193573256 1433021977 /nfs/dbraw/zinc/02/19/77/1433021977.db2.gz YUJLIBRILWWDAL-UHFFFAOYSA-N 0 3 392.503 3.040 20 30 GGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](c3cc[nH]n3)C1)CCCC2 ZINC000193581761 1433023249 /nfs/dbraw/zinc/02/32/49/1433023249.db2.gz NNVDBKFLXVNUQD-AWEZNQCLSA-N 0 3 383.521 3.430 20 30 GGEDHN N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](c3cc[nH]n3)C1)CCCC2 ZINC000193581740 1433023266 /nfs/dbraw/zinc/02/32/66/1433023266.db2.gz NNVDBKFLXVNUQD-CQSZACIVSA-N 0 3 383.521 3.430 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000193748997 1433051472 /nfs/dbraw/zinc/05/14/72/1433051472.db2.gz LAFGWDQZHGTISC-FQEVSTJZSA-N 0 3 394.471 3.067 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)c1ccccc1OCC#N)c1cccc(OC)c1 ZINC000194098186 1433117047 /nfs/dbraw/zinc/11/70/47/1433117047.db2.gz SPDIPBBRHGBTQU-FQEVSTJZSA-N 0 3 381.476 3.410 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNC(=O)Cc3ccc(C#N)cc3)CC2)c1 ZINC000194856802 1433249554 /nfs/dbraw/zinc/24/95/54/1433249554.db2.gz RVAZIXBJCCAWIP-UHFFFAOYSA-N 0 3 390.531 3.128 20 30 GGEDHN COc1cccc2c1CCC[C@H]2N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970288 1433274501 /nfs/dbraw/zinc/27/45/01/1433274501.db2.gz UJBXWXRPUTXIDK-NHCUHLMSSA-N 0 3 375.472 3.335 20 30 GGEDHN Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)[nH]n2)o1 ZINC000195141865 1433298706 /nfs/dbraw/zinc/29/87/06/1433298706.db2.gz NCIBKGXLGLBDRN-UHFFFAOYSA-N 0 3 377.448 3.054 20 30 GGEDHN C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000195286631 1433315186 /nfs/dbraw/zinc/31/51/86/1433315186.db2.gz FGJUOTHAHVCOJS-UBHSHLNASA-N 0 3 382.819 3.101 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000195465113 1433332985 /nfs/dbraw/zinc/33/29/85/1433332985.db2.gz NZKDSAWUEHKLBW-GHTZIAJQSA-N 0 3 388.552 3.028 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000195465108 1433333028 /nfs/dbraw/zinc/33/30/28/1433333028.db2.gz NZKDSAWUEHKLBW-WIYYLYMNSA-N 0 3 388.552 3.028 20 30 GGEDHN N#Cc1c2c(sc1NC(=O)CN1CCC(c3ccn[nH]3)CC1)CCCCC2 ZINC000195506679 1433337629 /nfs/dbraw/zinc/33/76/29/1433337629.db2.gz MVEDYWVKQYNBMQ-UHFFFAOYSA-N 0 3 383.521 3.430 20 30 GGEDHN CNS(=O)(=O)c1ccc([C@@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000237367978 1433399284 /nfs/dbraw/zinc/39/92/84/1433399284.db2.gz ZZGLANVBJMDWCU-MRXNPFEDSA-N 0 3 387.505 3.128 20 30 GGEDHN C[C@@H](C#N)Oc1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000237495447 1433406284 /nfs/dbraw/zinc/40/62/84/1433406284.db2.gz BICGEXRFLPPUTP-KRWDZBQOSA-N 0 3 399.516 3.052 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CNCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000237599749 1433411609 /nfs/dbraw/zinc/41/16/09/1433411609.db2.gz BICGEXRFLPPUTP-QGZVFWFLSA-N 0 3 399.516 3.052 20 30 GGEDHN C[C@@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000237704110 1433418321 /nfs/dbraw/zinc/41/83/21/1433418321.db2.gz QXVZMVDDJRHOBE-HOTGVXAUSA-N 0 3 387.505 3.079 20 30 GGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000245460548 1433472363 /nfs/dbraw/zinc/47/23/63/1433472363.db2.gz VWLZVPWFZMXISU-VQTJNVASSA-N 0 3 382.552 3.314 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245742995 1433509925 /nfs/dbraw/zinc/50/99/25/1433509925.db2.gz MESJCGUKBCIKJA-MOPGFXCFSA-N 0 3 382.508 3.030 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245851775 1433526626 /nfs/dbraw/zinc/52/66/26/1433526626.db2.gz JKHHZMKMPMKPAH-MSOLQXFVSA-N 0 3 397.498 3.149 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245880025 1433532231 /nfs/dbraw/zinc/53/22/31/1433532231.db2.gz NDXPBDUOUYOIQE-OALUTQOASA-N 0 3 379.508 3.010 20 30 GGEDHN CCOC(=O)c1ccc(N2CCCN([C@H](C)c3ccc(C#N)cc3)CC2)nc1 ZINC000246465881 1433616648 /nfs/dbraw/zinc/61/66/48/1433616648.db2.gz WXJSJIIOYSDACG-QGZVFWFLSA-N 0 3 378.476 3.403 20 30 GGEDHN N#Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000247204648 1433690991 /nfs/dbraw/zinc/69/09/91/1433690991.db2.gz WNAHDAPDZRJFFC-LEWJYISDSA-N 0 3 395.528 3.233 20 30 GGEDHN Cc1nc(SCC(=O)NC[C@H](c2ccccc2)N(C)C)c(C#N)c(C)c1C ZINC000247988932 1433761524 /nfs/dbraw/zinc/76/15/24/1433761524.db2.gz KZIZZWVEIHALGB-LJQANCHMSA-N 0 3 382.533 3.390 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000248078907 1433768421 /nfs/dbraw/zinc/76/84/21/1433768421.db2.gz IFDKUOMZXGMZGR-JOCHJYFZSA-N 0 3 393.535 3.300 20 30 GGEDHN COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000248531884 1433807153 /nfs/dbraw/zinc/80/71/53/1433807153.db2.gz PNLZIWTZLGGXFU-UYAOXDASSA-N 0 3 382.460 3.152 20 30 GGEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000248856263 1433826122 /nfs/dbraw/zinc/82/61/22/1433826122.db2.gz OAVWVAQUCSOLFI-GOSISDBHSA-N 0 3 385.895 3.164 20 30 GGEDHN N#Cc1ccc(N2CCC[C@H](N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000248975994 1433831293 /nfs/dbraw/zinc/83/12/93/1433831293.db2.gz DWDOSPYZEAFZCH-HKBOAZHASA-N 0 3 397.425 3.452 20 30 GGEDHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000249008505 1433832086 /nfs/dbraw/zinc/83/20/86/1433832086.db2.gz JFVDRHFRQZOINT-KPLVRAHFSA-N 0 3 393.487 3.450 20 30 GGEDHN C[C@H](O)CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000249219004 1433839232 /nfs/dbraw/zinc/83/92/32/1433839232.db2.gz FRHAKYGQNYPOFH-RTWAWAEBSA-N 0 3 377.532 3.273 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000250997549 1433857556 /nfs/dbraw/zinc/85/75/56/1433857556.db2.gz XILCRSYGSBHVFX-WIYYLYMNSA-N 0 3 393.535 3.298 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]\C[C@@H](O)COc2ccc(F)c(F)c2)c([O-])c1 ZINC000254961959 1433873084 /nfs/dbraw/zinc/87/30/84/1433873084.db2.gz NYNLZTKJDNWPCK-XYIDMMFISA-N 0 3 378.419 3.375 20 30 GGEDHN [O-]c1ccc(Br)cc1/C=N\C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000255069653 1433875607 /nfs/dbraw/zinc/87/56/07/1433875607.db2.gz FGTAVAMEHNZQIK-WWBTZOKRSA-N 0 3 381.314 3.342 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)c3ccc(C=NOC)cc3)c(C)c2)CC1 ZINC000255363065 1433881374 /nfs/dbraw/zinc/88/13/74/1433881374.db2.gz FBLGDGZDINXBHD-UHFFFAOYSA-N 0 3 380.492 3.370 20 30 GGEDHN N=C(NCC(=O)N1CCC(Cc2ccccc2)CC1)Nc1cc(F)ccc1F ZINC000262326366 1433934944 /nfs/dbraw/zinc/93/49/44/1433934944.db2.gz WZAZPJCLBZZNQL-UHFFFAOYSA-N 0 3 386.446 3.173 20 30 GGEDHN CC(=O)Nc1cccc(CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000263781055 1434032892 /nfs/dbraw/zinc/03/28/92/1434032892.db2.gz YRPRBXRVTJDDHM-UHFFFAOYSA-N 0 3 376.460 3.367 20 30 GGEDHN CN(C)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000263950272 1434052352 /nfs/dbraw/zinc/05/23/52/1434052352.db2.gz DORZOHWTTWGUTM-NRFANRHFSA-N 0 3 392.503 3.133 20 30 GGEDHN Cc1ncc(CO)c(/C=N/c2ccc(N3CCC([NH+](C)C)CC3)c(F)c2)c1[O-] ZINC000263997318 1434059565 /nfs/dbraw/zinc/05/95/65/1434059565.db2.gz JSCDHSOSLAKNPQ-WYMPLXKRSA-N 0 3 386.471 3.008 20 30 GGEDHN CCN1CCN(CCCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264023893 1434063288 /nfs/dbraw/zinc/06/32/88/1434063288.db2.gz KGSFTEMHPDSZJY-UHFFFAOYSA-N 0 3 392.503 3.108 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(OC)c2)C[C@@H]2CCCO2)CC1 ZINC000264401327 1434107726 /nfs/dbraw/zinc/10/77/26/1434107726.db2.gz ZSXXGDNAMKJJIZ-NRFANRHFSA-N 0 3 387.524 3.036 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000264400962 1434107731 /nfs/dbraw/zinc/10/77/31/1434107731.db2.gz QDTKJMMRJCHIRP-UHFFFAOYSA-N 0 3 379.508 3.402 20 30 GGEDHN C=CCOc1cccc(CNCc2ccccc2CS(=O)(=O)NC(C)C)c1 ZINC000264404524 1434108157 /nfs/dbraw/zinc/10/81/57/1434108157.db2.gz WXUIBMDRPNTXOJ-UHFFFAOYSA-N 0 3 388.533 3.369 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000264407194 1434108774 /nfs/dbraw/zinc/10/87/74/1434108774.db2.gz NQEHKLDIYBTNIU-UHFFFAOYSA-N 0 3 392.503 3.389 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000264428909 1434111578 /nfs/dbraw/zinc/11/15/78/1434111578.db2.gz TWCUSNVNQJCDSU-ZDUSSCGKSA-N 0 3 377.439 3.442 20 30 GGEDHN N#Cc1cccc(OCc2ccoc2C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264505004 1434121290 /nfs/dbraw/zinc/12/12/90/1434121290.db2.gz KTOUYFAWWDAMKB-LJQANCHMSA-N 0 3 379.460 3.431 20 30 GGEDHN N#Cc1ccccc1OCc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)o1 ZINC000264575692 1434129977 /nfs/dbraw/zinc/12/99/77/1434129977.db2.gz SYQKQXDNNDNMEG-GOSISDBHSA-N 0 3 379.460 3.431 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)c1cccc(OC)c1 ZINC000264626625 1434136554 /nfs/dbraw/zinc/13/65/54/1434136554.db2.gz IPEGBQFDHHGLAK-QFIPXVFZSA-N 0 3 395.503 3.339 20 30 GGEDHN CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000264733903 1434149738 /nfs/dbraw/zinc/14/97/38/1434149738.db2.gz QOFUCLJVSAGMPM-QGZVFWFLSA-N 0 3 386.540 3.225 20 30 GGEDHN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000264733903 1434149742 /nfs/dbraw/zinc/14/97/42/1434149742.db2.gz QOFUCLJVSAGMPM-QGZVFWFLSA-N 0 3 386.540 3.225 20 30 GGEDHN COc1cccc([C@H](CNC(=O)Cc2ccc(OCC#N)cc2)N2CCCC2)c1 ZINC000264790801 1434155193 /nfs/dbraw/zinc/15/51/93/1434155193.db2.gz SKKYHPGKUVJXRL-QFIPXVFZSA-N 0 3 393.487 3.093 20 30 GGEDHN C#CCOc1ccc(CN[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000264944893 1434166563 /nfs/dbraw/zinc/16/65/63/1434166563.db2.gz IDEJGGWCJMKUTC-QGZVFWFLSA-N 0 3 384.501 3.089 20 30 GGEDHN C#CCOc1ccccc1CNC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000265132815 1434188836 /nfs/dbraw/zinc/18/88/36/1434188836.db2.gz GIGKZPHQXXYFIX-UHFFFAOYSA-N 0 3 381.476 3.098 20 30 GGEDHN COC(=O)COc1cccc(CNCc2ccc(OC)c(OCCCC#N)c2)c1 ZINC000265172876 1434194111 /nfs/dbraw/zinc/19/41/11/1434194111.db2.gz JIPAZPPVCDAXEZ-UHFFFAOYSA-N 0 3 398.459 3.219 20 30 GGEDHN COC1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 ZINC000265194091 1434197287 /nfs/dbraw/zinc/19/72/87/1434197287.db2.gz IANNYNUEDVKGQA-UHFFFAOYSA-N 0 3 398.507 3.446 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C(=O)c3cnc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000265425084 1434232867 /nfs/dbraw/zinc/23/28/67/1434232867.db2.gz CDTZTXVKJZKZQN-UHFFFAOYSA-N 0 3 385.471 3.296 20 30 GGEDHN C#CCCOc1ccc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)NC)cc1 ZINC000266171569 1434308237 /nfs/dbraw/zinc/30/82/37/1434308237.db2.gz RJYDTBJKYPOAJR-QFIPXVFZSA-N 0 3 375.472 3.017 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000266988569 1434396407 /nfs/dbraw/zinc/39/64/07/1434396407.db2.gz WTYPSAACMAEYBX-FXAWDEMLSA-N 0 3 398.894 3.216 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000269146804 1434597289 /nfs/dbraw/zinc/59/72/89/1434597289.db2.gz PPYQBRDESDEMFV-PKOBYXMFSA-N 0 3 398.894 3.216 20 30 GGEDHN C=C(C)[C@H](CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)OCC ZINC000270017256 1434693688 /nfs/dbraw/zinc/69/36/88/1434693688.db2.gz CPZYUIYRCWQWQK-FQEVSTJZSA-N 0 3 378.488 3.156 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000270268454 1434718102 /nfs/dbraw/zinc/71/81/02/1434718102.db2.gz SUSONWDAABHCBX-LJQANCHMSA-N 0 3 381.524 3.251 20 30 GGEDHN C#CC[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000270411477 1434731284 /nfs/dbraw/zinc/73/12/84/1434731284.db2.gz LMNFFGILEJMMTH-KNKQGSTJSA-N 0 3 383.536 3.282 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270561956 1434744953 /nfs/dbraw/zinc/74/49/53/1434744953.db2.gz KOXALALLPIXYQJ-JOCHJYFZSA-N 0 3 377.488 3.266 20 30 GGEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000270821074 1434778774 /nfs/dbraw/zinc/77/87/74/1434778774.db2.gz IEVGNZDNYCRZHI-AKIFATBCSA-N 0 3 378.516 3.346 20 30 GGEDHN C=C[C@H](CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)c1ccccc1 ZINC000270821079 1434778780 /nfs/dbraw/zinc/77/87/80/1434778780.db2.gz IEVGNZDNYCRZHI-PUHATCMVSA-N 0 3 378.516 3.346 20 30 GGEDHN COCCCOC1CCN(Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000271195635 1434807540 /nfs/dbraw/zinc/80/75/40/1434807540.db2.gz NUDCQIFELUMWCY-UHFFFAOYSA-N 0 3 376.497 3.395 20 30 GGEDHN C#CC[C@H](N[C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457853 1434826480 /nfs/dbraw/zinc/82/64/80/1434826480.db2.gz HABPLSOUVBGWFK-GCJKJVERSA-N 0 3 398.528 3.123 20 30 GGEDHN CCN1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000271502483 1434830142 /nfs/dbraw/zinc/83/01/42/1434830142.db2.gz FMUQSHQLQSACCW-UHFFFAOYSA-N 0 3 391.475 3.370 20 30 GGEDHN CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000271643001 1434841387 /nfs/dbraw/zinc/84/13/87/1434841387.db2.gz HJYAGRHZQAOQCU-HNNXBMFYSA-N 0 3 385.489 3.031 20 30 GGEDHN C#CC[C@@H](NCCCS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000271718032 1434846098 /nfs/dbraw/zinc/84/60/98/1434846098.db2.gz POJBYHRWPBGYBV-OAQYLSRUSA-N 0 3 384.501 3.163 20 30 GGEDHN CC(=O)N1CCN(c2ccccc2CN[C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000271871411 1434856155 /nfs/dbraw/zinc/85/61/55/1434856155.db2.gz MRWXVAZXDBECNE-GOSISDBHSA-N 0 3 392.503 3.108 20 30 GGEDHN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271955890 1434861674 /nfs/dbraw/zinc/86/16/74/1434861674.db2.gz PZNKYWCPBSWVDH-KRWDZBQOSA-N 0 3 383.467 3.259 20 30 GGEDHN CS(=O)(=O)Cc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000271973480 1434862914 /nfs/dbraw/zinc/86/29/14/1434862914.db2.gz DWRCRRHKLIEJMK-UHFFFAOYSA-N 0 3 383.517 3.179 20 30 GGEDHN Cn1cc(CNCc2ccc(N3CCOCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000272105109 1434872413 /nfs/dbraw/zinc/87/24/13/1434872413.db2.gz HYCQOGZZAUSRAR-UHFFFAOYSA-N 0 3 387.487 3.085 20 30 GGEDHN CN1CC[C@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@@H]2C1 ZINC000272273444 1434883298 /nfs/dbraw/zinc/88/32/98/1434883298.db2.gz CREMEFRKTKFXON-FUHWJXTLSA-N 0 3 381.505 3.163 20 30 GGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H]3CCN(C)C[C@H]32)cc1 ZINC000272363573 1434890533 /nfs/dbraw/zinc/89/05/33/1434890533.db2.gz FSVJRHNYSUTTAU-FXAWDEMLSA-N 0 3 382.508 3.059 20 30 GGEDHN CN1CC[C@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000272380250 1434892134 /nfs/dbraw/zinc/89/21/34/1434892134.db2.gz BRQYKYPGZJMHRP-SIKLNZKXSA-N 0 3 375.472 3.303 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272513760 1434902686 /nfs/dbraw/zinc/90/26/86/1434902686.db2.gz HZPIMRSUDMKVOX-JOCHJYFZSA-N 0 3 387.487 3.193 20 30 GGEDHN COCC[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000272601799 1434913547 /nfs/dbraw/zinc/91/35/47/1434913547.db2.gz XVBFQKOMPPQRSZ-FQEVSTJZSA-N 0 3 398.507 3.311 20 30 GGEDHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000272681211 1434922193 /nfs/dbraw/zinc/92/21/93/1434922193.db2.gz RYPRGPNREMFTMP-JOCHJYFZSA-N 0 3 393.487 3.093 20 30 GGEDHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000272930015 1434941808 /nfs/dbraw/zinc/94/18/08/1434941808.db2.gz ZIYXYUXPJFRYFP-FXAWDEMLSA-N 0 3 385.508 3.201 20 30 GGEDHN Cc1cc(NC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)nn1CCC#N ZINC000274445106 1435071656 /nfs/dbraw/zinc/07/16/56/1435071656.db2.gz UDDOYTGKBRJGGH-LJQANCHMSA-N 0 3 382.512 3.383 20 30 GGEDHN COC(=O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000275144170 1435119015 /nfs/dbraw/zinc/11/90/15/1435119015.db2.gz PUEFSGFXXIEOQT-JOCHJYFZSA-N 0 3 393.487 3.035 20 30 GGEDHN C=C(C)COc1cc(CN2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1OC ZINC000275154138 1435119335 /nfs/dbraw/zinc/11/93/35/1435119335.db2.gz UQATZDZZPGGDPB-OAHLLOKOSA-N 0 3 386.414 3.151 20 30 GGEDHN CO[C@@H]1CCCC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247949 1435125631 /nfs/dbraw/zinc/12/56/31/1435125631.db2.gz PUUZOLQZGCIOEB-RTBURBONSA-N 0 3 384.480 3.104 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc3c(cc2OCC)OCCO3)CC1 ZINC000275336787 1435132493 /nfs/dbraw/zinc/13/24/93/1435132493.db2.gz XBCFURKKMBQSLC-UHFFFAOYSA-N 0 3 375.469 3.019 20 30 GGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@H]1O ZINC000275396200 1435136510 /nfs/dbraw/zinc/13/65/10/1435136510.db2.gz DGBXKSOLCHNYRH-QGZVFWFLSA-N 0 3 375.538 3.310 20 30 GGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](O)C(C)(C)C3)sc2C1 ZINC000275414342 1435137821 /nfs/dbraw/zinc/13/78/21/1435137821.db2.gz GPLPENCEZKICKI-DYVFJYSZSA-N 0 3 375.538 3.166 20 30 GGEDHN Cn1ccnc1[C@H]1OCC[C@@H]1NCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000275509205 1435144432 /nfs/dbraw/zinc/14/44/32/1435144432.db2.gz KCTCBUNMXHQVKK-VXKWHMMOSA-N 0 3 388.471 3.491 20 30 GGEDHN C=C[C@](C)(CCOC)C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000276126947 1435192627 /nfs/dbraw/zinc/19/26/27/1435192627.db2.gz BXGMPLRDVADGDP-OAQYLSRUSA-N 0 3 378.488 3.014 20 30 GGEDHN CCOC(=O)c1nnc(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)[n-]1 ZINC000277648695 1435318930 /nfs/dbraw/zinc/31/89/30/1435318930.db2.gz CRTYMYYHFKXKDS-UHFFFAOYSA-N 0 3 381.480 3.162 20 30 GGEDHN CC(C)(C#N)CCCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000277653672 1435319333 /nfs/dbraw/zinc/31/93/33/1435319333.db2.gz ILPWCQPOMNTBGQ-UHFFFAOYSA-N 0 3 381.517 3.288 20 30 GGEDHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277756253 1435327407 /nfs/dbraw/zinc/32/74/07/1435327407.db2.gz JUAMLASORMAZRY-ZIAGYGMSSA-N 0 3 397.445 3.339 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949202 1435345050 /nfs/dbraw/zinc/34/50/50/1435345050.db2.gz ZVVXMZVECRQQFD-LRDDRELGSA-N 0 3 389.805 3.175 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949199 1435345091 /nfs/dbraw/zinc/34/50/91/1435345091.db2.gz ZVVXMZVECRQQFD-BLLLJJGKSA-N 0 3 389.805 3.175 20 30 GGEDHN CCN(C[C@@H](C)C#N)C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278282657 1435376282 /nfs/dbraw/zinc/37/62/82/1435376282.db2.gz KGRIDVZRTODNFU-HNNXBMFYSA-N 0 3 397.441 3.309 20 30 GGEDHN N#CCCn1cc(CNCc2ccc3c(c2)OCCCO3)c(-c2ccncc2)n1 ZINC000278562691 1435400226 /nfs/dbraw/zinc/40/02/26/1435400226.db2.gz CPEDZQFGFRSNQM-UHFFFAOYSA-N 0 3 389.459 3.310 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)N(C(N)=O)CC4)CC2)cc1 ZINC000278567270 1435400908 /nfs/dbraw/zinc/40/09/08/1435400908.db2.gz GCQQOSAEWNBJMH-UHFFFAOYSA-N 0 3 375.476 3.076 20 30 GGEDHN N#CCCn1cc(CN[C@@H](CCCO)c2ccccc2)c(-c2ccncc2)n1 ZINC000278731344 1435418088 /nfs/dbraw/zinc/41/80/88/1435418088.db2.gz UKUCOQOJMVXIIZ-NRFANRHFSA-N 0 3 375.476 3.462 20 30 GGEDHN N#CCCn1cc(CNCc2ccc(N3CCCC3)nc2)c(-c2ccncc2)n1 ZINC000278729140 1435418199 /nfs/dbraw/zinc/41/81/99/1435418199.db2.gz UJSDONRAGYNLGO-UHFFFAOYSA-N 0 3 387.491 3.144 20 30 GGEDHN N#CCCN(C(=O)CN1CCC(c2ncc3n2CCCC3)CC1)c1ccccc1 ZINC000278751561 1435420030 /nfs/dbraw/zinc/42/00/30/1435420030.db2.gz AWMSLXCPAYDPRZ-UHFFFAOYSA-N 0 3 391.519 3.346 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3ccc4c(c3)N(C(N)=O)CCC4)CC2)cc1 ZINC000278780432 1435422896 /nfs/dbraw/zinc/42/28/96/1435422896.db2.gz UZZFWITVNHDYDM-UHFFFAOYSA-N 0 3 389.503 3.466 20 30 GGEDHN CC(C)OC(=O)C[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278833803 1435428916 /nfs/dbraw/zinc/42/89/16/1435428916.db2.gz AFHWIRMTKLSQSP-SFHVURJKSA-N 0 3 395.507 3.412 20 30 GGEDHN COc1ccc(OCCN(C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000279342082 1435488690 /nfs/dbraw/zinc/48/86/90/1435488690.db2.gz FEVUMPMFOKOGIP-UHFFFAOYSA-N 0 3 391.475 3.378 20 30 GGEDHN C[C@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1n1ccnc1 ZINC000279490798 1435505244 /nfs/dbraw/zinc/50/52/44/1435505244.db2.gz XYSHYDDCBGBBKT-FXAWDEMLSA-N 0 3 375.480 3.138 20 30 GGEDHN CCOC(=O)CC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279503764 1435506787 /nfs/dbraw/zinc/50/67/87/1435506787.db2.gz ZPTAULFCBVJURC-UHFFFAOYSA-N 0 3 381.480 3.024 20 30 GGEDHN CN(C)CCn1c2cc(NC(=O)c3ccc(C(C)(C)C#N)cc3)ccc2oc1=O ZINC000279853228 1435552427 /nfs/dbraw/zinc/55/24/27/1435552427.db2.gz RXTJJIQRWKTLJA-UHFFFAOYSA-N 0 3 392.459 3.210 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(-c3ccc(C)o3)ccc2C)CC1 ZINC000280260840 1435620655 /nfs/dbraw/zinc/62/06/55/1435620655.db2.gz FHRNZCFAWQKWMB-UHFFFAOYSA-N 0 3 381.476 3.269 20 30 GGEDHN CO[C@@]1(C)CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000280337061 1435638994 /nfs/dbraw/zinc/63/89/94/1435638994.db2.gz ICELURAMGYUOAT-IBGZPJMESA-N 0 3 382.426 3.064 20 30 GGEDHN N#Cc1cccc(COc2cccc(CN3CC[C@@H]4NC(=O)OC[C@H]4C3)c2)c1 ZINC000281294001 1435802773 /nfs/dbraw/zinc/80/27/73/1435802773.db2.gz PGMIPWNMRCKJNF-CTNGQTDRSA-N 0 3 377.444 3.068 20 30 GGEDHN C=CCC[C@H](NCc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccccc1 ZINC000281360482 1435805571 /nfs/dbraw/zinc/80/55/71/1435805571.db2.gz SGKVWSXIWDAMET-FQEVSTJZSA-N 0 3 375.538 3.342 20 30 GGEDHN COc1cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)ccc1C#N ZINC000281657285 1435817376 /nfs/dbraw/zinc/81/73/76/1435817376.db2.gz KLLNQOZYTNBRPS-CALCHBBNSA-N 0 3 393.487 3.106 20 30 GGEDHN CN1CCN(CCNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1(C)C ZINC000281688582 1435818545 /nfs/dbraw/zinc/81/85/45/1435818545.db2.gz FXDMHXWSOZKCIG-UHFFFAOYSA-N 0 3 392.503 3.106 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ncsc1C(F)(F)F ZINC000282664871 1435855601 /nfs/dbraw/zinc/85/56/01/1435855601.db2.gz OGKSUSLFGMKQRQ-UHFFFAOYSA-N 0 3 382.411 3.238 20 30 GGEDHN CCOC(=O)[C@H](C)[C@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000283319786 1435884219 /nfs/dbraw/zinc/88/42/19/1435884219.db2.gz ZOXIXXATSDFJDL-ZNMIVQPWSA-N 0 3 377.510 3.197 20 30 GGEDHN CCOC(=O)[C@H](C)[C@@H](C)NCC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000283319783 1435884305 /nfs/dbraw/zinc/88/43/05/1435884305.db2.gz ZOXIXXATSDFJDL-RRFJBIMHSA-N 0 3 377.510 3.197 20 30 GGEDHN CN(C)C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccc(Cl)cc1 ZINC000283538889 1435894465 /nfs/dbraw/zinc/89/44/65/1435894465.db2.gz CSVURVIGKYXDJV-LJQANCHMSA-N 0 3 386.883 3.344 20 30 GGEDHN C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC000283634414 1435898762 /nfs/dbraw/zinc/89/87/62/1435898762.db2.gz OSHAQTAKHDQJDS-UHFFFAOYSA-N 0 3 381.524 3.131 20 30 GGEDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCOc2ccc(C#N)cc2OC)cc1 ZINC000284809709 1436051936 /nfs/dbraw/zinc/05/19/36/1436051936.db2.gz QFNUPYJACRZHPU-OAHLLOKOSA-N 0 3 388.489 3.090 20 30 GGEDHN C[C@@H](CC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1)N(C)Cc1cccc(C#N)c1 ZINC000820243101 1446926129 /nfs/dbraw/zinc/92/61/29/1446926129.db2.gz VLOJWSVEPQTWJD-KRWDZBQOSA-N 0 3 389.507 3.081 20 30 GGEDHN C[C@@H](CC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)N(C)Cc1cccc(C#N)c1 ZINC000820243101 1446926131 /nfs/dbraw/zinc/92/61/31/1446926131.db2.gz VLOJWSVEPQTWJD-KRWDZBQOSA-N 0 3 389.507 3.081 20 30 GGEDHN C[C@@H](NCCC[NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824590278 1449521241 /nfs/dbraw/zinc/52/12/41/1449521241.db2.gz AYRANGDILKTCTI-CVEARBPZSA-N 0 3 375.480 3.130 20 30 GGEDHN C[C@@H](NCCC[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824590278 1449521247 /nfs/dbraw/zinc/52/12/47/1449521247.db2.gz AYRANGDILKTCTI-CVEARBPZSA-N 0 3 375.480 3.130 20 30 GGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727866 720346115 /nfs/dbraw/zinc/34/61/15/720346115.db2.gz UROUMZRDLWVEHL-MOPGFXCFSA-N 0 3 390.878 3.403 20 30 GGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164727881 720346860 /nfs/dbraw/zinc/34/68/60/720346860.db2.gz UROUMZRDLWVEHL-RTBURBONSA-N 0 3 390.878 3.403 20 30 GGEDHN Cc1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900308 721513596 /nfs/dbraw/zinc/51/35/96/721513596.db2.gz QALVKJVFLNHBIY-DOTOQJQBSA-N 0 3 386.858 3.396 20 30 GGEDHN Cc1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900311 721513675 /nfs/dbraw/zinc/51/36/75/721513675.db2.gz QALVKJVFLNHBIY-WBVHZDCISA-N 0 3 386.858 3.396 20 30 GGEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164903108 721552873 /nfs/dbraw/zinc/55/28/73/721552873.db2.gz AMDBBXHRJTZRIA-CTNGQTDRSA-N 0 3 392.478 3.313 20 30 GGEDHN COc1cc(C#N)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164904861 721708329 /nfs/dbraw/zinc/70/83/29/721708329.db2.gz DNSOSCMOAVCQEV-HXUWFJFHSA-N 0 3 399.445 3.095 20 30 GGEDHN N#CCc1ccnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907763 721715793 /nfs/dbraw/zinc/71/57/93/721715793.db2.gz TZTHZCJFUIEUOX-FQEVSTJZSA-N 0 3 383.446 3.280 20 30 GGEDHN N#Cc1c[nH]c2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164993866 722191216 /nfs/dbraw/zinc/19/12/16/722191216.db2.gz IGBGAPPLSZXLKU-NRFANRHFSA-N 0 3 376.439 3.214 20 30 GGEDHN N#Cc1c[nH]c2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164993869 722191365 /nfs/dbraw/zinc/19/13/65/722191365.db2.gz IGBGAPPLSZXLKU-OAQYLSRUSA-N 0 3 376.439 3.214 20 30 GGEDHN C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001573330604 947437620 /nfs/dbraw/zinc/43/76/20/947437620.db2.gz ZNWSGXVTLYTLCJ-OLZOCXBDSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CC[C@@H](C)C2 ZINC001573330604 947437629 /nfs/dbraw/zinc/43/76/29/947437629.db2.gz ZNWSGXVTLYTLCJ-OLZOCXBDSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001573330604 947437637 /nfs/dbraw/zinc/43/76/37/947437637.db2.gz ZNWSGXVTLYTLCJ-OLZOCXBDSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CC[C@@H](C)C2 ZINC001573330604 947437646 /nfs/dbraw/zinc/43/76/46/947437646.db2.gz ZNWSGXVTLYTLCJ-OLZOCXBDSA-N 0 3 386.525 3.032 20 30 GGEDHN C=CCOc1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1Cl ZINC001573348713 947586693 /nfs/dbraw/zinc/58/66/93/947586693.db2.gz SNNVLKMETLMOPU-QGZVFWFLSA-N 0 3 381.867 3.342 20 30 GGEDHN C=CCOc1ccc(C[NH2+][C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1Cl ZINC001573348713 947586700 /nfs/dbraw/zinc/58/67/00/947586700.db2.gz SNNVLKMETLMOPU-QGZVFWFLSA-N 0 3 381.867 3.342 20 30 GGEDHN CC[C@@](C)(C(=O)[O-])[N@@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778482 981777391 /nfs/dbraw/zinc/77/73/91/981777391.db2.gz SSEZJERNWVXSFW-VLIAUNLRSA-N 0 3 385.489 3.438 20 30 GGEDHN CC[C@@](C)(C(=O)[O-])[N@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778482 981777397 /nfs/dbraw/zinc/77/73/97/981777397.db2.gz SSEZJERNWVXSFW-VLIAUNLRSA-N 0 3 385.489 3.438 20 30 GGEDHN CCN1CCN([C@H](C)CNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000071954185 206208649 /nfs/dbraw/zinc/20/86/49/206208649.db2.gz GVCZRWKRGDTXTA-QGZVFWFLSA-N 0 3 376.508 3.106 20 30 GGEDHN CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000004057314 520691991 /nfs/dbraw/zinc/69/19/91/520691991.db2.gz XRCIZSOPNMBDQP-UHFFFAOYSA-N 0 3 386.492 3.439 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@@](C)(O)CSC)cc1OC ZINC000120661867 564331780 /nfs/dbraw/zinc/33/17/80/564331780.db2.gz KKPLQMQHYNSDPP-MRXNPFEDSA-N 0 3 390.343 3.226 20 30 GGEDHN CN(Cc1ccc(Br)cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000025867273 564341485 /nfs/dbraw/zinc/34/14/85/564341485.db2.gz FXGCNPCUHXEJKR-SFHVURJKSA-N 0 3 389.293 3.387 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532691 564382030 /nfs/dbraw/zinc/38/20/30/564382030.db2.gz JBFIYLUFIUJBEC-DYVFJYSZSA-N 0 3 375.266 3.411 20 30 GGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000046528683 564503447 /nfs/dbraw/zinc/50/34/47/564503447.db2.gz XCQRWYVBAVGLRE-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN CN(Cc1ccc(C#N)cc1)C[C@H](O)COc1ccc(Br)cc1 ZINC000046528680 564503777 /nfs/dbraw/zinc/50/37/77/564503777.db2.gz XCQRWYVBAVGLRE-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)o1 ZINC000047010741 564511077 /nfs/dbraw/zinc/51/10/77/564511077.db2.gz UPVPRLILNYRSPT-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000068310610 564813807 /nfs/dbraw/zinc/81/38/07/564813807.db2.gz UZBPVMVSMMEJNW-UHFFFAOYSA-N 0 3 377.275 3.464 20 30 GGEDHN Cc1cc(Br)oc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310086 564813903 /nfs/dbraw/zinc/81/39/03/564813903.db2.gz HZNSGJGUNHYBAE-UHFFFAOYSA-N 0 3 390.281 3.426 20 30 GGEDHN CN(C)CCOc1cc(CNc2ccc(C#N)cc2Br)ccn1 ZINC000135375174 564830258 /nfs/dbraw/zinc/83/02/58/564830258.db2.gz ZIEXKHIVVDBTOJ-UHFFFAOYSA-N 0 3 375.270 3.268 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)C[C@H](C)C(=O)OC)cc1OC ZINC000091986208 564873606 /nfs/dbraw/zinc/87/36/06/564873606.db2.gz QKAGBGDZUXFNFJ-LBPRGKRZSA-N 0 3 386.286 3.263 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)C[C@H](C)C(=O)NC)cc1OCC ZINC000093898920 564891616 /nfs/dbraw/zinc/89/16/16/564891616.db2.gz JSLNKBFNKIXEGG-ZDUSSCGKSA-N 0 3 399.329 3.227 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)CCOc2ccccc2Br)CC1 ZINC000106035891 564977410 /nfs/dbraw/zinc/97/74/10/564977410.db2.gz SNNJQYYRYPQPHF-UHFFFAOYSA-N 0 3 381.314 3.375 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc(Br)cc2)CC1 ZINC000106267527 564981564 /nfs/dbraw/zinc/98/15/64/564981564.db2.gz VCYFCZHZSJQQCU-UHFFFAOYSA-N 0 3 396.329 3.168 20 30 GGEDHN CN(CCc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000112563182 565064353 /nfs/dbraw/zinc/06/43/53/565064353.db2.gz YFKNPDOZKRZGTQ-GOSISDBHSA-N 0 3 389.293 3.235 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@]23CCc2cc(Br)ccc23)CC1 ZINC000369204280 565081258 /nfs/dbraw/zinc/08/12/58/565081258.db2.gz OCDAWMSHAUXIRC-QUCCMNQESA-N 0 3 389.337 3.420 20 30 GGEDHN CC(C)(C#N)CCN1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157722169 565141861 /nfs/dbraw/zinc/14/18/61/565141861.db2.gz YEFGMJISNRTYEB-CYBMUJFWSA-N 0 3 379.302 3.434 20 30 GGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000185022573 565171669 /nfs/dbraw/zinc/17/16/69/565171669.db2.gz UODSJCWHRWRVDV-UHFFFAOYSA-N 0 3 381.929 3.287 20 30 GGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000185302963 565194810 /nfs/dbraw/zinc/19/48/10/565194810.db2.gz BZEXYIIXQSOCGZ-NSHDSACASA-N 0 3 384.910 3.069 20 30 GGEDHN C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCN(C2CCC2)C1 ZINC000185726985 565218730 /nfs/dbraw/zinc/21/87/30/565218730.db2.gz MYJVOHUJNSYRDS-ZFWWWQNUSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000185726963 565219270 /nfs/dbraw/zinc/21/92/70/565219270.db2.gz MYJVOHUJNSYRDS-UKRRQHHQSA-N 0 3 381.929 3.143 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1ccccc1Br ZINC000295314328 565258867 /nfs/dbraw/zinc/25/88/67/565258867.db2.gz LLNIGOYYKXRSID-ZWKOTPCHSA-N 0 3 375.266 3.020 20 30 GGEDHN C=CCS(=O)(=O)CCN[C@H](CCCOC)c1ccc(Br)cc1 ZINC000272907054 565302129 /nfs/dbraw/zinc/30/21/29/565302129.db2.gz WEPCJKZJTIIUTI-MRXNPFEDSA-N 0 3 390.343 3.107 20 30 GGEDHN N#Cc1ccccc1OCCN1CCC(n2cc(Br)cn2)CC1 ZINC000374010675 565314622 /nfs/dbraw/zinc/31/46/22/565314622.db2.gz QXYQHCMGGGDNLH-UHFFFAOYSA-N 0 3 375.270 3.233 20 30 GGEDHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1sccc1C#N ZINC000162524697 565320083 /nfs/dbraw/zinc/32/00/83/565320083.db2.gz HUCLDBLFHIISOC-QGZVFWFLSA-N 0 3 378.885 3.444 20 30 GGEDHN CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1N(C)C ZINC000273755902 565334100 /nfs/dbraw/zinc/33/41/00/565334100.db2.gz UKQOWHOKBWITDU-YSVLISHTSA-N 0 3 378.567 3.448 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2nc(C)cs2)C(F)(F)F)CC1 ZINC000297082846 565355010 /nfs/dbraw/zinc/35/50/10/565355010.db2.gz PCMUDFULSZWQEU-ZDUSSCGKSA-N 0 3 376.448 3.395 20 30 GGEDHN Cc1cc(C(=O)C(C(=S)[N-]C(C)(C)C)[n+]2cccc(CO)c2)c(C)s1 ZINC000298824344 565430932 /nfs/dbraw/zinc/43/09/32/565430932.db2.gz QHEGEMIMXFISGB-UHFFFAOYSA-O 0 3 377.555 3.472 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc3c(cc(Br)cc3F)[nH]2)CC1 ZINC000171718875 565446815 /nfs/dbraw/zinc/44/68/15/565446815.db2.gz SKCXJDAJRCBSIN-UHFFFAOYSA-N 0 3 380.261 3.450 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000171718616 565447151 /nfs/dbraw/zinc/44/71/51/565447151.db2.gz JJNSIOHOIASLQP-GFCCVEGCSA-N 0 3 385.277 3.122 20 30 GGEDHN C=CCN1CCC(NC(=O)CCCOc2ccccc2Br)CC1 ZINC000171718185 565447360 /nfs/dbraw/zinc/44/73/60/565447360.db2.gz IABMCODSBNVYLK-UHFFFAOYSA-N 0 3 381.314 3.375 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(Br)ccc2F)CC1 ZINC000171738572 565447912 /nfs/dbraw/zinc/44/79/12/565447912.db2.gz TYIWFHANOQRFRO-UHFFFAOYSA-N 0 3 384.293 3.380 20 30 GGEDHN CC[C@H](C)[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000299601625 565456923 /nfs/dbraw/zinc/45/69/23/565456923.db2.gz NSDJLABHKKJHKK-LBPRGKRZSA-O 0 3 377.555 3.472 20 30 GGEDHN N#Cc1cc(Br)ccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000302058264 565528067 /nfs/dbraw/zinc/52/80/67/565528067.db2.gz BMFYMXOVRVFBJN-GOSISDBHSA-N 0 3 386.293 3.499 20 30 GGEDHN N#Cc1cc(Br)ccc1NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000302106430 565529844 /nfs/dbraw/zinc/52/98/44/565529844.db2.gz XTMJKKBFKYEFOP-MSOLQXFVSA-N 0 3 386.293 3.368 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000190456085 565533386 /nfs/dbraw/zinc/53/33/86/565533386.db2.gz LXBYWLNWMYFBPE-UHFFFAOYSA-N 0 3 388.270 3.228 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000278587743 565567285 /nfs/dbraw/zinc/56/72/85/565567285.db2.gz KSAXWMFBLQJCPI-LBPRGKRZSA-N 0 3 375.475 3.024 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000408072972 565593681 /nfs/dbraw/zinc/59/36/81/565593681.db2.gz JPPBHHNZCLFSMT-FMKPAKJESA-N 0 3 381.929 3.238 20 30 GGEDHN C=CCN1CCC(NC(=O)c2scc(C)c2I)CC1 ZINC000191276212 565593856 /nfs/dbraw/zinc/59/38/56/565593856.db2.gz CCRSBBJUOCBTLP-UHFFFAOYSA-N 0 3 390.290 3.041 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311020 565602867 /nfs/dbraw/zinc/60/28/67/565602867.db2.gz VZSZGFJJMIPDIU-IJEWVQPXSA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2C#N)C1 ZINC000408430385 565609636 /nfs/dbraw/zinc/60/96/36/565609636.db2.gz STTQIIPJMQRIDF-RBSFLKMASA-N 0 3 381.929 3.238 20 30 GGEDHN COc1cccc([C@@H](CNc2ncc(Br)cc2C#N)N(C)C)c1 ZINC000323313200 565612572 /nfs/dbraw/zinc/61/25/72/565612572.db2.gz GLKLLLNOHDIWQO-MRXNPFEDSA-N 0 3 375.270 3.439 20 30 GGEDHN C[C@H](C(=O)Nc1cccc(Br)c1)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000328835151 565643609 /nfs/dbraw/zinc/64/36/09/565643609.db2.gz SGGGONUFGNVZCX-VJUNAUMWSA-N 0 3 397.313 3.287 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCN1C ZINC000329329492 565663092 /nfs/dbraw/zinc/66/30/92/565663092.db2.gz LBKDTSVGUAJPLM-NXEZZACHSA-N 0 3 382.258 3.217 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CCN1C ZINC000329607148 565673190 /nfs/dbraw/zinc/67/31/90/565673190.db2.gz CHBBJCDKYMGBHL-YPMHNXCESA-N 0 3 379.917 3.407 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)c2cnc(Sc3nccn3C)c(Cl)c2)CCN1C ZINC000329607145 565673250 /nfs/dbraw/zinc/67/32/50/565673250.db2.gz CHBBJCDKYMGBHL-DGCLKSJQSA-N 0 3 379.917 3.407 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000329810478 565680452 /nfs/dbraw/zinc/68/04/52/565680452.db2.gz BNTACYBJTGTGCY-QMTHXVAHSA-N 0 3 381.270 3.008 20 30 GGEDHN CN1CC[C@@H]2CCN(C(=O)NCc3cc4cc(Br)ccc4[nH]3)[C@H]2C1 ZINC000329836842 565682046 /nfs/dbraw/zinc/68/20/46/565682046.db2.gz HZFZEKMIRXHLEI-PXAZEXFGSA-N 0 3 391.313 3.370 20 30 GGEDHN CC(C(=O)N[C@H]1CCSc2c(F)cccc21)S(=O)(=O)C1CCOCC1 ZINC000330108332 565692562 /nfs/dbraw/zinc/69/25/62/565692562.db2.gz NMVLSWDEKKEBIV-ABAIWWIYSA-N 0 3 387.498 3.301 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C2(c3cncc(Br)c3)CC2)CC1 ZINC000281134986 565714365 /nfs/dbraw/zinc/71/43/65/565714365.db2.gz DGWUSRVLRUQQLH-UHFFFAOYSA-N 0 3 378.314 3.032 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(SC)c2)CC1 ZINC000411219301 565717905 /nfs/dbraw/zinc/71/79/05/565717905.db2.gz BJFPWZNMQTWADH-UHFFFAOYSA-N 0 3 381.929 3.157 20 30 GGEDHN CCN1CCC(NC(=O)Nc2cc(OC)c(Br)c(OC)c2)CC1 ZINC000330698796 565718845 /nfs/dbraw/zinc/71/88/45/565718845.db2.gz WXKVWHYQBHNSNL-UHFFFAOYSA-N 0 3 386.290 3.277 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)Oc2ccccc2Br)CC1 ZINC000175742655 565720574 /nfs/dbraw/zinc/72/05/74/565720574.db2.gz MEEJKTNTZIUECT-AWEZNQCLSA-N 0 3 396.329 3.166 20 30 GGEDHN CC1(C)CCCN(CCNC(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)C1 ZINC000330950029 565731251 /nfs/dbraw/zinc/73/12/51/565731251.db2.gz CVTSVHRFZPCHKH-UHFFFAOYSA-N 0 3 387.933 3.138 20 30 GGEDHN COc1ccc(NC(=O)NC[C@]2(N(C)C)CCSC2)c(Br)c1 ZINC000331303579 565754142 /nfs/dbraw/zinc/75/41/42/565754142.db2.gz VVXVUOBDELAQTQ-OAHLLOKOSA-N 0 3 388.331 3.221 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@@H]2CC[C@H](C(=O)OC)C2)cc1OC ZINC000193499672 565755925 /nfs/dbraw/zinc/75/59/25/565755925.db2.gz RITAFXGBZDVXJL-UONOGXRCSA-N 0 3 398.297 3.454 20 30 GGEDHN C=CCOc1c(Br)cc(CNCC2([S@@](C)=O)CC2)cc1OC ZINC000282201344 565769662 /nfs/dbraw/zinc/76/96/62/565769662.db2.gz CRVVPFRWPIGNAF-JOCHJYFZSA-N 0 3 388.327 3.023 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccoc1Br ZINC000193802543 565776525 /nfs/dbraw/zinc/77/65/25/565776525.db2.gz NBQGXWMVYZKOHL-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN N#Cc1ccc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)s1 ZINC000176978292 565819326 /nfs/dbraw/zinc/81/93/26/565819326.db2.gz GAKDVAJOVJKVHU-UHFFFAOYSA-N 0 3 395.575 3.188 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCCn1cc(Cl)cn1 ZINC000412992877 565828134 /nfs/dbraw/zinc/82/81/34/565828134.db2.gz WDBAHLFMFXAJLZ-UHFFFAOYSA-N 0 3 380.949 3.135 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccccc2Br)CC1 ZINC000177239777 565837111 /nfs/dbraw/zinc/83/71/11/565837111.db2.gz DICJWUQGKHUDBQ-AWEZNQCLSA-N 0 3 380.330 3.330 20 30 GGEDHN N#Cc1ccc(NC(=O)N2CC[C@@H](N3CCCCC3)C2)cc1Br ZINC000332676278 565852685 /nfs/dbraw/zinc/85/26/85/565852685.db2.gz QLEMFSSCQSGDEX-OAHLLOKOSA-N 0 3 377.286 3.413 20 30 GGEDHN C=CCN1CCC(NC(=O)C2(c3cc(F)cc(Br)c3)CC2)CC1 ZINC000285236933 565896202 /nfs/dbraw/zinc/89/62/02/565896202.db2.gz BLUXAPCKWHBIQY-UHFFFAOYSA-N 0 3 381.289 3.386 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCc2ccc(Cl)s2)cc1 ZINC000287157711 566001398 /nfs/dbraw/zinc/00/13/98/566001398.db2.gz MOQUXVVXCJKUFQ-NSHDSACASA-N 0 3 397.909 3.451 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(Br)c(F)cc2OC)CC1 ZINC000417553150 566156557 /nfs/dbraw/zinc/15/65/57/566156557.db2.gz GOFKWMKXSUGVGV-UHFFFAOYSA-N 0 3 386.265 3.369 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccccc1Br)c1ccc(C#N)cc1 ZINC000182022875 566177742 /nfs/dbraw/zinc/17/77/42/566177742.db2.gz NQWIIQOKQWCCCF-BBRMVZONSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182022979 566178031 /nfs/dbraw/zinc/17/80/31/566178031.db2.gz PEOFBKWTAJGQLH-CJNGLKHVSA-N 0 3 375.266 3.411 20 30 GGEDHN C=CCN1CCC(NCc2c(Br)cncc2Br)CC1 ZINC000290773471 566188486 /nfs/dbraw/zinc/18/84/86/566188486.db2.gz BLYZUMIUWIPLAD-UHFFFAOYSA-N 0 3 389.135 3.347 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000264409693 566214747 /nfs/dbraw/zinc/21/47/47/566214747.db2.gz QSYKVJWGSMSFLR-UHFFFAOYSA-N 0 3 381.307 3.340 20 30 GGEDHN CN1CCC2(CCCN2C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000367883743 566220883 /nfs/dbraw/zinc/22/08/83/566220883.db2.gz IFMTZFZSJPTVKL-UHFFFAOYSA-N 0 3 377.286 3.413 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481745934 566250575 /nfs/dbraw/zinc/25/05/75/566250575.db2.gz DUWHYRKRQCCUBJ-QGZVFWFLSA-N 0 3 382.277 3.391 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000444763670 566252276 /nfs/dbraw/zinc/25/22/76/566252276.db2.gz VGTQRXDEFSAWDT-AAEUAGOBSA-N 0 3 381.295 3.473 20 30 GGEDHN N#Cc1ccccc1OC[C@@H](O)CNC1(c2ccc(Br)cc2)CC1 ZINC000599349488 566254908 /nfs/dbraw/zinc/25/49/08/566254908.db2.gz PADFCFBEACUBPY-KRWDZBQOSA-N 0 3 387.277 3.339 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@@H](C)Cn2cccn2)cc1OC ZINC000509131688 566265849 /nfs/dbraw/zinc/26/58/49/566265849.db2.gz ISPIMWOOJAGHOU-ZDUSSCGKSA-N 0 3 380.286 3.397 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H](C)Cn2cccn2)cc1OC ZINC000509131687 566266044 /nfs/dbraw/zinc/26/60/44/566266044.db2.gz ISPIMWOOJAGHOU-CYBMUJFWSA-N 0 3 380.286 3.397 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(I)ccc2C)CC1 ZINC000481953076 566268983 /nfs/dbraw/zinc/26/89/83/566268983.db2.gz LWQNYVRLHICYKB-UHFFFAOYSA-N 0 3 399.276 3.372 20 30 GGEDHN N#Cc1cccc(CNCCOc2ccc(I)cc2)c1 ZINC000509438505 566306158 /nfs/dbraw/zinc/30/61/58/566306158.db2.gz LOYBCCMYPKEBJF-UHFFFAOYSA-N 0 3 378.213 3.331 20 30 GGEDHN C=CCN1CCC(Nc2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000462826310 566356664 /nfs/dbraw/zinc/35/66/64/566356664.db2.gz BWGOPWXOTJTYGM-UHFFFAOYSA-N 0 3 391.269 3.390 20 30 GGEDHN CC[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447534005 566414661 /nfs/dbraw/zinc/41/46/61/566414661.db2.gz UHTOMLBAEQKDJZ-GOSISDBHSA-N 0 3 377.897 3.231 20 30 GGEDHN CC[C@@H](NCCNS(=O)(=O)c1cc(C)sc1C)c1ccc(C#N)cc1 ZINC000447582072 566417795 /nfs/dbraw/zinc/41/77/95/566417795.db2.gz XSURIHCXFFMQRY-QGZVFWFLSA-N 0 3 377.535 3.256 20 30 GGEDHN CC(C)[C@](C)(NCC(=O)NC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000558117289 566451014 /nfs/dbraw/zinc/45/10/14/566451014.db2.gz PCDOZEBPRLGKBC-KRWDZBQOSA-N 0 3 378.314 3.472 20 30 GGEDHN C=CCNC(=O)CN[C@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000558134030 566452388 /nfs/dbraw/zinc/45/23/88/566452388.db2.gz NHWPVCTWJRDZLK-CYBMUJFWSA-N 0 3 377.282 3.261 20 30 GGEDHN Cc1ccc(Br)cc1CNC[C@@H](O)COc1ccc(CC#N)cc1 ZINC000577860596 566470323 /nfs/dbraw/zinc/47/03/23/566470323.db2.gz PHCWRQRDAFTYBL-GOSISDBHSA-N 0 3 389.293 3.353 20 30 GGEDHN CCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602445142 566471203 /nfs/dbraw/zinc/47/12/03/566471203.db2.gz SRVYAPVTCPZQOD-ZDUSSCGKSA-N 0 3 377.897 3.442 20 30 GGEDHN N#Cc1ccc2c(c1)[C@H](NCCNC(=O)c1ccc(Br)cc1)CC2 ZINC000577905586 566474336 /nfs/dbraw/zinc/47/43/36/566474336.db2.gz BHKHOIBHBPEUNH-GOSISDBHSA-N 0 3 384.277 3.328 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000602529059 566475849 /nfs/dbraw/zinc/47/58/49/566475849.db2.gz DNXMINADYYXJNZ-HUUCEWRRSA-N 0 3 382.327 3.163 20 30 GGEDHN N#CCCC[C@H](N)C(=O)N1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000602529010 566476289 /nfs/dbraw/zinc/47/62/89/566476289.db2.gz DNXMINADYYXJNZ-CABCVRRESA-N 0 3 382.327 3.163 20 30 GGEDHN C[C@@H](CC1(C#N)CCOCC1)NCCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000602673314 566487029 /nfs/dbraw/zinc/48/70/29/566487029.db2.gz SCKYGTFFRCBUSI-HNNXBMFYSA-N 0 3 384.929 3.192 20 30 GGEDHN N#CCC1(CN2CCC(C(=O)Nc3ccc(Br)cn3)CC2)CC1 ZINC000602790843 566495104 /nfs/dbraw/zinc/49/51/04/566495104.db2.gz LCOWYWCJIPLLLE-UHFFFAOYSA-N 0 3 377.286 3.188 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2cc(Br)cs2)cc1 ZINC000558735803 566503806 /nfs/dbraw/zinc/50/38/06/566503806.db2.gz STPRYMPBKZEXEK-AWEZNQCLSA-N 0 3 381.295 3.106 20 30 GGEDHN CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424078830 566508903 /nfs/dbraw/zinc/50/89/03/566508903.db2.gz QIALDDRVWOIPQU-AWEZNQCLSA-N 0 3 385.295 3.192 20 30 GGEDHN CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)[C@@H](N)CCCC#N ZINC000424076046 566509869 /nfs/dbraw/zinc/50/98/69/566509869.db2.gz KWHWZEMCSACIIK-AWEZNQCLSA-N 0 3 385.295 3.192 20 30 GGEDHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448943733 566514066 /nfs/dbraw/zinc/51/40/66/566514066.db2.gz AJRNXFPCERKEDH-HNNXBMFYSA-N 0 3 384.277 3.454 20 30 GGEDHN CCOc1ccc(Br)cc1CN(C(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424122570 566514624 /nfs/dbraw/zinc/51/46/24/566514624.db2.gz HCRJKJCSYPWBCL-INIZCTEOSA-N 0 3 394.313 3.360 20 30 GGEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000424148211 566516439 /nfs/dbraw/zinc/51/64/39/566516439.db2.gz ZLDCADDGNNLFFV-UONOGXRCSA-N 0 3 382.327 3.466 20 30 GGEDHN N#CCCC[C@H](N)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000424179624 566517750 /nfs/dbraw/zinc/51/77/50/566517750.db2.gz ZDYMULCUCUOZMC-KRWDZBQOSA-N 0 3 383.323 3.095 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1cc(Br)c(=O)[nH]c1C)C(C)C ZINC000512334343 566527799 /nfs/dbraw/zinc/52/77/99/566527799.db2.gz QEWHSGTXCFGMKE-INIZCTEOSA-N 0 3 396.329 3.287 20 30 GGEDHN CN(Cc1cccc(Br)c1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000604081477 566553853 /nfs/dbraw/zinc/55/38/53/566553853.db2.gz VZILRHXIWJNICH-GOSISDBHSA-N 0 3 389.293 3.387 20 30 GGEDHN N#Cc1ncn(CCNCc2ccc(Oc3cccc(Br)c3)cc2)n1 ZINC000512904139 566567509 /nfs/dbraw/zinc/56/75/09/566567509.db2.gz NKGDRKBLFJKBNU-UHFFFAOYSA-N 0 3 398.264 3.494 20 30 GGEDHN C=C[C@@H]1OCC[C@H]1NCc1cc(Br)cc(Br)c1N ZINC000449516421 566571508 /nfs/dbraw/zinc/57/15/08/566571508.db2.gz ASKLSVIJXOONOC-NEPJUHHUSA-N 0 3 376.092 3.227 20 30 GGEDHN COc1ccc(C[C@H](CO)CNCc2cc(C#N)cs2)cc1Br ZINC000449601359 566581935 /nfs/dbraw/zinc/58/19/35/566581935.db2.gz RGEGIGSHELGYRJ-AWEZNQCLSA-N 0 3 395.322 3.332 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@@H](C)CC(=O)NC)cc1OCC ZINC000449604480 566583374 /nfs/dbraw/zinc/58/33/74/566583374.db2.gz TXWDOZXXIHLBIO-LBPRGKRZSA-N 0 3 385.302 3.027 20 30 GGEDHN COc1ccc(C[C@H](CO)CNCc2ccc(C#N)s2)cc1Br ZINC000449605115 566584094 /nfs/dbraw/zinc/58/40/94/566584094.db2.gz YWMJVDCZFBDBIR-ZDUSSCGKSA-N 0 3 395.322 3.332 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccsc1Cl ZINC000560061411 566593018 /nfs/dbraw/zinc/59/30/18/566593018.db2.gz XHDQFOPVINXZIM-UHFFFAOYSA-N 0 3 377.897 3.242 20 30 GGEDHN C=CCC[C@H](CO)NCc1cc(Br)cc(Br)c1N ZINC000449694210 566594419 /nfs/dbraw/zinc/59/44/19/566594419.db2.gz ATSNDPKRAGVHFI-LLVKDONJSA-N 0 3 378.108 3.211 20 30 GGEDHN C=C(CC)CNCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000449735418 566596896 /nfs/dbraw/zinc/59/68/96/566596896.db2.gz UFITZLXZFSQHAG-UHFFFAOYSA-N 0 3 399.329 3.371 20 30 GGEDHN N#Cc1cccc(C(=O)N2CCCN(C3CCCC3)CC2)c1Br ZINC000449910888 566614748 /nfs/dbraw/zinc/61/47/48/566614748.db2.gz GZSFBIGDGCUVIO-UHFFFAOYSA-N 0 3 376.298 3.411 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000675245314 566632450 /nfs/dbraw/zinc/63/24/50/566632450.db2.gz RVBYDLMBSNQDCW-UHFFFAOYSA-N 0 3 396.304 3.306 20 30 GGEDHN C=CC[C@@H](CO)CNCc1cc(Br)cc(Br)c1OC ZINC000540323595 566645748 /nfs/dbraw/zinc/64/57/48/566645748.db2.gz INUHMKVSPILYJM-SNVBAGLBSA-N 0 3 393.119 3.494 20 30 GGEDHN C[C@@H](NCCc1cccc(C#N)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000467457930 566647787 /nfs/dbraw/zinc/64/77/87/566647787.db2.gz XJBOYVAMEJGQSU-LLVKDONJSA-N 0 3 398.315 3.406 20 30 GGEDHN COC(=O)[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505653 566650946 /nfs/dbraw/zinc/65/09/46/566650946.db2.gz BVRSLTDRZSAPJC-NKKGCODLSA-N 0 3 377.282 3.330 20 30 GGEDHN COC(=O)[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505649 566651001 /nfs/dbraw/zinc/65/10/01/566651001.db2.gz BVRSLTDRZSAPJC-ISWURRPUSA-N 0 3 377.282 3.330 20 30 GGEDHN CN(C)CCN(Cc1cccc(F)c1)c1ncc(Br)cc1C#N ZINC000450376583 566663656 /nfs/dbraw/zinc/66/36/56/566663656.db2.gz GVWHZGPMLNVIAU-UHFFFAOYSA-N 0 3 377.261 3.423 20 30 GGEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000450652026 566694884 /nfs/dbraw/zinc/69/48/84/566694884.db2.gz FHPXXOWRLRLCPE-QAPCUYQASA-N 0 3 378.314 3.058 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1[nH]nc(CC)c1Br)C(C)C ZINC000468508659 566705181 /nfs/dbraw/zinc/70/51/81/566705181.db2.gz VFKCLCQFDHPNFW-CQSZACIVSA-N 0 3 383.334 3.163 20 30 GGEDHN CC(C#N)C(=O)N[C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000469033286 566754063 /nfs/dbraw/zinc/75/40/63/566754063.db2.gz VRHHYYBYMHFKRP-SJKOYZFVSA-N 0 3 376.865 3.109 20 30 GGEDHN Cc1cc(C(C)(C)NCC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000562059430 566761076 /nfs/dbraw/zinc/76/10/76/566761076.db2.gz DUWRYEFQSCUEEP-GOSISDBHSA-N 0 3 378.314 3.391 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2csc(Br)c2)cc1 ZINC000581843732 566808693 /nfs/dbraw/zinc/80/86/93/566808693.db2.gz DNYZKRLKARMAHE-AWEZNQCLSA-N 0 3 381.295 3.106 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN[C@H](CO)c1ccc(Br)cc1 ZINC000542912743 566837618 /nfs/dbraw/zinc/83/76/18/566837618.db2.gz RVFIYENZJBXVCX-CQSZACIVSA-N 0 3 394.294 3.034 20 30 GGEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000562994632 566842212 /nfs/dbraw/zinc/84/22/12/566842212.db2.gz CIUYTQXYYBRYIB-CQSZACIVSA-N 0 3 378.881 3.042 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC[C@H](O)CN(C)CCC#N ZINC000562985411 566842403 /nfs/dbraw/zinc/84/24/03/566842403.db2.gz RBMBWHONGJXMLL-HACGYAERSA-N 0 3 398.370 3.028 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccc(Br)cc2)c(F)c1 ZINC000428533979 566852930 /nfs/dbraw/zinc/85/29/30/566852930.db2.gz HVXKUPROCHRCHL-HNNXBMFYSA-N 0 3 377.257 3.401 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccccc2Br)c(F)c1 ZINC000428552032 566855774 /nfs/dbraw/zinc/85/57/74/566855774.db2.gz YKZMNQMTDAIIFU-CQSZACIVSA-N 0 3 377.257 3.401 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2ccccc2Br)c(F)c1 ZINC000428552028 566856478 /nfs/dbraw/zinc/85/64/78/566856478.db2.gz YKZMNQMTDAIIFU-AWEZNQCLSA-N 0 3 377.257 3.401 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCSc2ccc(F)cc2)cc1 ZINC000582541344 566872938 /nfs/dbraw/zinc/87/29/38/566872938.db2.gz GJLJTSZBRWAVMO-UHFFFAOYSA-N 0 3 378.494 3.243 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 ZINC000518624153 566897049 /nfs/dbraw/zinc/89/70/49/566897049.db2.gz CJZJKAZZKDDHOP-SJORKVTESA-N 0 3 378.314 3.255 20 30 GGEDHN N#Cc1ccc(OCCN[C@@H](CO)c2ccc(Br)c(F)c2)cc1 ZINC000429030126 566902224 /nfs/dbraw/zinc/90/22/24/566902224.db2.gz QRMYZKQFBNIENZ-KRWDZBQOSA-N 0 3 379.229 3.162 20 30 GGEDHN N#Cc1ccccc1OCCN[C@H](CO)c1ccc(Br)c(F)c1 ZINC000429028752 566903520 /nfs/dbraw/zinc/90/35/20/566903520.db2.gz CXGLAWKOSAELJA-MRXNPFEDSA-N 0 3 379.229 3.162 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000582897664 566904293 /nfs/dbraw/zinc/90/42/93/566904293.db2.gz KNLQVHNZJJKEGU-MRXNPFEDSA-N 0 3 382.957 3.074 20 30 GGEDHN COc1ccc(Br)cc1CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000470893544 566913219 /nfs/dbraw/zinc/91/32/19/566913219.db2.gz ZPQPTGGVTDKGNV-OAHLLOKOSA-N 0 3 398.260 3.328 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389553 566914187 /nfs/dbraw/zinc/91/41/87/566914187.db2.gz ZKJMUJACIQXXMB-CXAGYDPISA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386239 566914249 /nfs/dbraw/zinc/91/42/49/566914249.db2.gz GKJHKDKFCLCPBU-SUMWQHHRSA-N 0 3 375.266 3.411 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309555 566922335 /nfs/dbraw/zinc/92/23/35/566922335.db2.gz RSJGHWGNQLVXIH-XHDPSFHLSA-N 0 3 394.313 3.062 20 30 GGEDHN C[C@H](N[C@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376209 566927703 /nfs/dbraw/zinc/92/77/03/566927703.db2.gz JICIYCHNMIITMW-LRDDRELGSA-N 0 3 378.314 3.423 20 30 GGEDHN Cc1cc(C(C)(C)NCC(=O)N(CCC#N)CCC#N)ccc1Br ZINC000583232373 566932190 /nfs/dbraw/zinc/93/21/90/566932190.db2.gz YGVPFVLOTXXIAH-UHFFFAOYSA-N 0 3 391.313 3.238 20 30 GGEDHN N#Cc1cnn2cc(CNCC3(c4cccc(Br)c4)CC3)cnc12 ZINC000519604803 566951502 /nfs/dbraw/zinc/95/15/02/566951502.db2.gz GVMIUPRQGZMJQT-UHFFFAOYSA-N 0 3 382.265 3.185 20 30 GGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338359 566964190 /nfs/dbraw/zinc/96/41/90/566964190.db2.gz AVTVWHIRIZAIIN-DCGLDWPTSA-N 0 3 376.298 3.123 20 30 GGEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2ccc(Br)cc2C#N)C[C@@H](C)C1 ZINC000452338361 566964462 /nfs/dbraw/zinc/96/44/62/566964462.db2.gz AVTVWHIRIZAIIN-OGHNNQOOSA-N 0 3 376.298 3.123 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000472084632 567000103 /nfs/dbraw/zinc/00/01/03/567000103.db2.gz PYZWRNVXCHBYLB-UHFFFAOYSA-N 0 3 377.286 3.096 20 30 GGEDHN CCOc1cc(Br)c(NC(=O)[C@@H](N)CCCC#N)cc1OCC ZINC000520566321 567011677 /nfs/dbraw/zinc/01/16/77/567011677.db2.gz QHPRCSULXKLPDC-LBPRGKRZSA-N 0 3 384.274 3.206 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cnc3ncc(Br)cc3c2)nc(C)n1 ZINC000682010929 567022999 /nfs/dbraw/zinc/02/29/99/567022999.db2.gz GHYZYUXORGRXHL-CQSZACIVSA-N 0 3 382.221 3.289 20 30 GGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(CS(C)(=O)=O)c2)s1 ZINC000430594691 567025534 /nfs/dbraw/zinc/02/55/34/567025534.db2.gz SDNPZWMDIYCKPD-AWEZNQCLSA-N 0 3 376.503 3.475 20 30 GGEDHN N#Cc1cc(F)c(N2CCN(CC3CCOCC3)CC2)cc1Br ZINC000521068128 567037655 /nfs/dbraw/zinc/03/76/55/567037655.db2.gz NBEVJBWZRRYXNH-UHFFFAOYSA-N 0 3 382.277 3.008 20 30 GGEDHN N#CC(C(=O)c1ccc(Cl)c(I)c1)c1ccncn1 ZINC000545446327 567050572 /nfs/dbraw/zinc/05/05/72/567050572.db2.gz BBXHOSHVYMFHCV-SECBINFHSA-N 0 3 383.576 3.225 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2ccn(C)n2)cc1OCC ZINC000545464856 567052614 /nfs/dbraw/zinc/05/26/14/567052614.db2.gz ASVJRUZCCRALLM-UHFFFAOYSA-N 0 3 394.313 3.478 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc(C)n1 ZINC000431130158 567058904 /nfs/dbraw/zinc/05/89/04/567058904.db2.gz WQKOKRBFKJBMLJ-ZDUSSCGKSA-N 0 3 375.182 3.254 20 30 GGEDHN N#Cc1ccc(CN2CCC[C@H](N3CCOCC3)CC2)c(Br)c1 ZINC000585718457 567082710 /nfs/dbraw/zinc/08/27/10/567082710.db2.gz HLVNFFLFGBDVGV-KRWDZBQOSA-N 0 3 378.314 3.007 20 30 GGEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(C(C)C)CC1 ZINC000453424319 567086909 /nfs/dbraw/zinc/08/69/09/567086909.db2.gz IQPWHGNXQQTRMK-UHFFFAOYSA-N 0 3 393.333 3.142 20 30 GGEDHN CCOc1c(Br)cc(C(=O)C(C#N)c2ccncn2)cc1OC ZINC000546152605 567108713 /nfs/dbraw/zinc/10/87/13/567108713.db2.gz CSLCJXXFURGNOK-NSHDSACASA-N 0 3 376.210 3.136 20 30 GGEDHN N#Cc1ccc(Br)c(CN[C@H]2CCCC[C@H]2N2CCOCC2)c1 ZINC000566077047 567124577 /nfs/dbraw/zinc/12/45/77/567124577.db2.gz IOUOAXSOLILVSY-ZWKOTPCHSA-N 0 3 378.314 3.054 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2nc(C)c(Br)s2)CC1 ZINC000454464228 567176500 /nfs/dbraw/zinc/17/65/00/567176500.db2.gz MTRNWOJBIPVNKA-UHFFFAOYSA-N 0 3 387.347 3.054 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(CCC2CCOCC2)CC1 ZINC000432771909 567189063 /nfs/dbraw/zinc/18/90/63/567189063.db2.gz NNXZSUGWWDVDBX-LJQANCHMSA-N 0 3 392.341 3.448 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2ccc(Br)cc2)cc1 ZINC000566851239 567195530 /nfs/dbraw/zinc/19/55/30/567195530.db2.gz QSXBDSCLDYOJER-NZSAHSFTSA-N 0 3 387.277 3.206 20 30 GGEDHN CC1CCN(C[C@@H](O)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000566872614 567198300 /nfs/dbraw/zinc/19/83/00/567198300.db2.gz RZCDIBLFLNBAJD-AWEZNQCLSA-N 0 3 386.721 3.479 20 30 GGEDHN N#CC(CCc1ccccc1)C(=O)N[C@@H](CO)c1ccc(Br)cc1 ZINC000590416176 567225733 /nfs/dbraw/zinc/22/57/33/567225733.db2.gz ZKFDAQOTPNOYJQ-AEFFLSMTSA-N 0 3 387.277 3.371 20 30 GGEDHN CCN(CCC#N)C(=O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433283944 567238848 /nfs/dbraw/zinc/23/88/48/567238848.db2.gz DFPHKYFKWOEPKD-MRXNPFEDSA-N 0 3 378.314 3.076 20 30 GGEDHN CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306457 567242498 /nfs/dbraw/zinc/24/24/98/567242498.db2.gz SDGIGRKBPDNLNK-DOTOQJQBSA-N 0 3 392.341 3.322 20 30 GGEDHN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562929 567257515 /nfs/dbraw/zinc/25/75/15/567257515.db2.gz AIWPNVLFSOGDHF-GJZGRUSLSA-N 0 3 383.945 3.248 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)COc1cccc(Br)c1 ZINC000591763927 567295099 /nfs/dbraw/zinc/29/50/99/567295099.db2.gz REWRNKPIUVBCSJ-VQIMIIECSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@@H](O)COc1ccc(Br)cc1 ZINC000591763808 567295560 /nfs/dbraw/zinc/29/55/60/567295560.db2.gz KEEMZNQXNJOKBY-VQIMIIECSA-N 0 3 387.277 3.338 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(F)cc2Br)CC1 ZINC000592080263 567312764 /nfs/dbraw/zinc/31/27/64/567312764.db2.gz WCKHODUXTCIRPA-UHFFFAOYSA-N 0 3 385.277 3.124 20 30 GGEDHN CC(C)CC[NH+]1CCC(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000476343383 567317130 /nfs/dbraw/zinc/31/71/30/567317130.db2.gz SAICSXZNPJJNSF-UHFFFAOYSA-N 0 3 383.945 3.248 20 30 GGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c(Br)c1 ZINC000618308103 567369458 /nfs/dbraw/zinc/36/94/58/567369458.db2.gz QJEWKRANLZYKLS-ROUUACIJSA-N 0 3 378.314 3.054 20 30 GGEDHN C=CCN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000549121881 567374829 /nfs/dbraw/zinc/37/48/29/567374829.db2.gz JAEOXZGJDPVXCO-UHFFFAOYSA-N 0 3 387.221 3.262 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)c3c(c2)OCCO3)nc(C)n1 ZINC000501319004 567380694 /nfs/dbraw/zinc/38/06/94/567380694.db2.gz HECXSZOQZFQCJX-GFCCVEGCSA-N 0 3 388.221 3.117 20 30 GGEDHN C=C[C@H](CO)NCCCOc1c(Br)cccc1Br ZINC000662168292 567414413 /nfs/dbraw/zinc/41/44/13/567414413.db2.gz AJWWRPZFLSRUOE-SNVBAGLBSA-N 0 3 379.092 3.117 20 30 GGEDHN C[C@@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000477773772 567416354 /nfs/dbraw/zinc/41/63/54/567416354.db2.gz BUDPKMNPGVYKKJ-IUODEOHRSA-N 0 3 383.249 3.275 20 30 GGEDHN N#CC1(C[C@H](O)CN2CCC[C@@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507142 567432685 /nfs/dbraw/zinc/43/26/85/567432685.db2.gz VWCUPMGLZGYOOS-NJAFHUGGSA-N 0 3 393.325 3.249 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)c(OC)c(OC)c2)CC1 ZINC000550312760 567439896 /nfs/dbraw/zinc/43/98/96/567439896.db2.gz VCLRCNUIQKGBSH-UHFFFAOYSA-N 0 3 397.313 3.237 20 30 GGEDHN C[C@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000593989027 567450805 /nfs/dbraw/zinc/45/08/05/567450805.db2.gz XOUCMTAFZOUJFV-AWEZNQCLSA-N 0 3 378.314 3.006 20 30 GGEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000570037949 567454191 /nfs/dbraw/zinc/45/41/91/567454191.db2.gz NODRPXDVBVYEAK-AWEZNQCLSA-N 0 3 378.881 3.042 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1Br ZINC000594103934 567460517 /nfs/dbraw/zinc/46/05/17/567460517.db2.gz OUZZBTNFDRPHTQ-JKSUJKDBSA-N 0 3 377.286 3.459 20 30 GGEDHN CN(CCC#N)C[C@H](O)CN[C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325761 567476346 /nfs/dbraw/zinc/47/63/46/567476346.db2.gz XCXZYMDQRRXNCC-QZTJIDSGSA-N 0 3 398.320 3.225 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000594757640 567507721 /nfs/dbraw/zinc/50/77/21/567507721.db2.gz HMTNNIAJJFAHDU-BLLLJJGKSA-N 0 3 377.535 3.042 20 30 GGEDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594758387 567508096 /nfs/dbraw/zinc/50/80/96/567508096.db2.gz QJSHVOTZPIAYKB-OAHLLOKOSA-N 0 3 377.535 3.186 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@H]1CCCN(C)C1 ZINC000594783438 567513511 /nfs/dbraw/zinc/51/35/11/567513511.db2.gz BDXNBCIWGYNLOZ-CQSZACIVSA-N 0 3 377.535 3.092 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC[C@@H]1CCCN(C)C1 ZINC000594783437 567513869 /nfs/dbraw/zinc/51/38/69/567513869.db2.gz BDXNBCIWGYNLOZ-AWEZNQCLSA-N 0 3 377.535 3.092 20 30 GGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@H]1CNCCC1(F)F ZINC000643985762 567527213 /nfs/dbraw/zinc/52/72/13/567527213.db2.gz YHPQVUFSZNOOJM-CYBMUJFWSA-N 0 3 391.231 3.348 20 30 GGEDHN O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@H]1CNCCC1(F)F ZINC000644046628 567528064 /nfs/dbraw/zinc/52/80/64/567528064.db2.gz SVRCYWOCRZHLFU-NQMVMOMDSA-N 0 3 382.295 3.257 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2cccc(Br)c2)CC1 ZINC000458319834 567540197 /nfs/dbraw/zinc/54/01/97/567540197.db2.gz LLYPVXVZPLQWAA-UHFFFAOYSA-N 0 3 380.330 3.331 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000664019191 567548526 /nfs/dbraw/zinc/54/85/26/567548526.db2.gz IOXZGPCXAYXSAQ-INIZCTEOSA-N 0 3 386.323 3.319 20 30 GGEDHN CN(Cc1ccc(C#N)cc1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000438844950 567550019 /nfs/dbraw/zinc/55/00/19/567550019.db2.gz ZOYLZGAQAXQIJZ-QGZVFWFLSA-N 0 3 393.256 3.332 20 30 GGEDHN CN(CCC#N)C[C@@H](O)CN[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000571551292 567570664 /nfs/dbraw/zinc/57/06/64/567570664.db2.gz GGRYAVQCVSOIGO-ZWKOTPCHSA-N 0 3 380.330 3.086 20 30 GGEDHN CN(C)C[C@H](CNC(=O)c1ncc(C#N)cc1Cl)c1ccc(Cl)cc1 ZINC000571767679 567588331 /nfs/dbraw/zinc/58/83/31/567588331.db2.gz ODVOVSSYGIQKQN-AWEZNQCLSA-N 0 3 377.275 3.335 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(Br)cc2)cc1 ZINC000572030501 567608126 /nfs/dbraw/zinc/60/81/26/567608126.db2.gz VJYNDXDZOGCPNO-KRWDZBQOSA-N 0 3 375.266 3.045 20 30 GGEDHN N#Cc1c(Br)cccc1NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000439957217 567610134 /nfs/dbraw/zinc/61/01/34/567610134.db2.gz CFDMXBBXEDGKMT-MRXNPFEDSA-N 0 3 386.293 3.152 20 30 GGEDHN COc1cc(CNC[C@H](CO)Cc2ccccc2Br)ccc1C#N ZINC000440627989 567635253 /nfs/dbraw/zinc/63/52/53/567635253.db2.gz JNGBJWSYBJEIBQ-OAHLLOKOSA-N 0 3 389.293 3.270 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cc(F)cc(Br)c2)s1 ZINC000459698762 567651178 /nfs/dbraw/zinc/65/11/78/567651178.db2.gz LGRXDVHVASDZHR-LBPRGKRZSA-N 0 3 383.286 3.462 20 30 GGEDHN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000507221766 567668742 /nfs/dbraw/zinc/66/87/42/567668742.db2.gz OAODANGFUVEXHX-LBPRGKRZSA-N 0 3 398.315 3.494 20 30 GGEDHN Cc1cc(Cl)ccc1S(=O)(=O)NCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000507266299 567672998 /nfs/dbraw/zinc/67/29/98/567672998.db2.gz UIROQXISEHKLIG-AWEZNQCLSA-N 0 3 377.897 3.149 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000572916556 567675292 /nfs/dbraw/zinc/67/52/92/567675292.db2.gz IEZYBADYYLPNFJ-CQSZACIVSA-N 0 3 383.945 3.094 20 30 GGEDHN C=CCOc1c(Cl)cc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000623428527 567708670 /nfs/dbraw/zinc/70/86/70/567708670.db2.gz NQGRGVCXJYIYCV-LSDHHAIUSA-N 0 3 387.929 3.359 20 30 GGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1OC ZINC000623428524 567708865 /nfs/dbraw/zinc/70/88/65/567708865.db2.gz NQGRGVCXJYIYCV-CABCVRRESA-N 0 3 387.929 3.359 20 30 GGEDHN C=CCOc1c(Cl)cc(CNC(C)(C)CCS(C)(=O)=O)cc1OC ZINC000623435194 567710422 /nfs/dbraw/zinc/71/04/22/567710422.db2.gz WYTUNYNIOUJQCG-UHFFFAOYSA-N 0 3 375.918 3.216 20 30 GGEDHN C=CCOc1c(Cl)cc(CNCCC(C)(C)S(C)(=O)=O)cc1OC ZINC000623549957 567720412 /nfs/dbraw/zinc/72/04/12/567720412.db2.gz WSEHPJNFEGAYBQ-UHFFFAOYSA-N 0 3 375.918 3.216 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443010988 567722763 /nfs/dbraw/zinc/72/27/63/567722763.db2.gz GAICZSRCMVYIIG-CKEIUWERSA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000443349625 567751531 /nfs/dbraw/zinc/75/15/31/567751531.db2.gz VGTQRXDEFSAWDT-DGCLKSJQSA-N 0 3 381.295 3.473 20 30 GGEDHN COCCN(Cc1cc(Br)cs1)C[C@@H](O)CC(C)(C)C#N ZINC000598607625 567778811 /nfs/dbraw/zinc/77/88/11/567778811.db2.gz BKMPLGFKEVCPGA-ZDUSSCGKSA-N 0 3 375.332 3.260 20 30 GGEDHN C[C@@H](NC[C@@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620099 567780434 /nfs/dbraw/zinc/78/04/34/567780434.db2.gz YJAXGEUZECCLLR-HIFRSBDPSA-N 0 3 399.329 3.162 20 30 GGEDHN COC(=O)C[C@](C)(NC[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1 ZINC000598617451 567780523 /nfs/dbraw/zinc/78/05/23/567780523.db2.gz ROAOKIPJWKXCOJ-QAPCUYQASA-N 0 3 397.313 3.118 20 30 GGEDHN CC(C)(C#N)C[C@H](O)CNCc1cnn(-c2ccc(Br)cc2)c1 ZINC000598722773 567785601 /nfs/dbraw/zinc/78/56/01/567785601.db2.gz ASCUYAOVZNMUJN-INIZCTEOSA-N 0 3 377.286 3.025 20 30 GGEDHN CN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000598818027 567792586 /nfs/dbraw/zinc/79/25/86/567792586.db2.gz IXCIOAIMESUKNP-OLZOCXBDSA-N 0 3 376.762 3.158 20 30 GGEDHN C=C(C)COCCNC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000574869042 567800878 /nfs/dbraw/zinc/80/08/78/567800878.db2.gz KSWYHHLDGSCQBT-CYBMUJFWSA-N 0 3 378.694 3.025 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC000012780396 571034036 /nfs/dbraw/zinc/03/40/36/571034036.db2.gz PLJVAVABPVNRST-UHFFFAOYSA-N 0 3 376.460 3.238 20 30 GGEDHN CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736534973 598758545 /nfs/dbraw/zinc/75/85/45/598758545.db2.gz PDAILDIWNRHMMA-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736534973 598758548 /nfs/dbraw/zinc/75/85/48/598758548.db2.gz PDAILDIWNRHMMA-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736534973 598758549 /nfs/dbraw/zinc/75/85/49/598758549.db2.gz PDAILDIWNRHMMA-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736534973 598758551 /nfs/dbraw/zinc/75/85/51/598758551.db2.gz PDAILDIWNRHMMA-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC[N@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000736534270 598758742 /nfs/dbraw/zinc/75/87/42/598758742.db2.gz KCWWWFZPDCCAKY-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nnn[n-]1)[C@H](C)c1ccc(C#N)cc1 ZINC000736534270 598758744 /nfs/dbraw/zinc/75/87/44/598758744.db2.gz KCWWWFZPDCCAKY-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC[N@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000736534270 598758746 /nfs/dbraw/zinc/75/87/46/598758746.db2.gz KCWWWFZPDCCAKY-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC[N@@H+](CCC(=O)Nc1ccccc1-c1nn[n-]n1)[C@H](C)c1ccc(C#N)cc1 ZINC000736534270 598758748 /nfs/dbraw/zinc/75/87/48/598758748.db2.gz KCWWWFZPDCCAKY-OAHLLOKOSA-N 0 3 389.463 3.150 20 30 GGEDHN CC(C)[N@H+](CCCOc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820116867 606889036 /nfs/dbraw/zinc/88/90/36/606889036.db2.gz QNYYZYXWZUEISH-UHFFFAOYSA-N 0 3 376.464 3.418 20 30 GGEDHN CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820116867 606889038 /nfs/dbraw/zinc/88/90/38/606889038.db2.gz QNYYZYXWZUEISH-UHFFFAOYSA-N 0 3 376.464 3.418 20 30 GGEDHN CC(C)[N@H+](CCCOc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820116867 606889039 /nfs/dbraw/zinc/88/90/39/606889039.db2.gz QNYYZYXWZUEISH-UHFFFAOYSA-N 0 3 376.464 3.418 20 30 GGEDHN CC(C)[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820116867 606889041 /nfs/dbraw/zinc/88/90/41/606889041.db2.gz QNYYZYXWZUEISH-UHFFFAOYSA-N 0 3 376.464 3.418 20 30 GGEDHN N#Cc1ccc(CCC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000054573134 1406772579 /nfs/dbraw/zinc/77/25/79/1406772579.db2.gz VMOLHYADCRPDIL-UHFFFAOYSA-N 0 3 390.531 3.209 20 30 GGEDHN Cc1cccc(OC[C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000054616272 1406786370 /nfs/dbraw/zinc/78/63/70/1406786370.db2.gz FYQXAQXZHWNUHG-LJQANCHMSA-N 0 3 394.519 3.407 20 30 GGEDHN COc1ccc(-c2nnc(SCC(=O)C(C#N)c3nc(C)cs3)o2)cc1 ZINC000007826915 1398753353 /nfs/dbraw/zinc/75/33/53/1398753353.db2.gz LJTLDZFWBAVZDN-CYBMUJFWSA-N 0 3 386.458 3.479 20 30 GGEDHN COc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)n1C ZINC000007834298 1398755409 /nfs/dbraw/zinc/75/54/09/1398755409.db2.gz GWWYCXYLZYWCCT-CYBMUJFWSA-N 0 3 399.501 3.224 20 30 GGEDHN COc1cc(/C=C/C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1OCC#N ZINC000015918970 1399200715 /nfs/dbraw/zinc/20/07/15/1399200715.db2.gz JSTJDSLVZWNXOC-RDELFYGPSA-N 0 3 379.460 3.030 20 30 GGEDHN COc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)o1 ZINC000020070629 1399342304 /nfs/dbraw/zinc/34/23/04/1399342304.db2.gz AYKBBJBOSSRWRW-GFCCVEGCSA-N 0 3 386.458 3.479 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nc2ccccc2c1=O ZINC000022723790 1399495515 /nfs/dbraw/zinc/49/55/15/1399495515.db2.gz RZFYJVCIGKUZSY-AWEZNQCLSA-N 0 3 396.497 3.316 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000023409297 1399557497 /nfs/dbraw/zinc/55/74/97/1399557497.db2.gz HHJRNTWUJHYIDF-GOSISDBHSA-N 0 3 377.444 3.319 20 30 GGEDHN COc1cc(CN(C)C[C@@H](O)COc2ccc(C#N)cc2)ccc1OC(F)F ZINC000023408729 1399557590 /nfs/dbraw/zinc/55/75/90/1399557590.db2.gz NAAVRHNPGAXHIK-MRXNPFEDSA-N 0 3 392.402 3.040 20 30 GGEDHN Cc1cccc(C)c1OC[C@@H](O)CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000025303764 1399793210 /nfs/dbraw/zinc/79/32/10/1399793210.db2.gz FDWBOIHMQRGFHK-QHCPKHFHSA-N 0 3 393.531 3.123 20 30 GGEDHN CC(C)[C@H](CNC(=O)COc1ccccc1C#N)N1CCc2ccccc2C1 ZINC000025536509 1399817658 /nfs/dbraw/zinc/81/76/58/1399817658.db2.gz ASEMBDPHYJIYDK-NRFANRHFSA-N 0 3 377.488 3.136 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000026715754 1399924455 /nfs/dbraw/zinc/92/44/55/1399924455.db2.gz XFUWSTUFDSTTQL-ICSRJNTNSA-N 0 3 386.517 3.235 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)COc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000026909124 1399950670 /nfs/dbraw/zinc/95/06/70/1399950670.db2.gz WWZIFAOCQLNODO-UHFFFAOYSA-N 0 3 378.476 3.026 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3ccc(C#N)cc3)CC2)c1 ZINC000026964359 1399958013 /nfs/dbraw/zinc/95/80/13/1399958013.db2.gz GMEKYFFAWODARK-UHFFFAOYSA-N 0 3 376.504 3.199 20 30 GGEDHN N#Cc1c(NC(=O)CN2CCN(C3CCCC3)CC2)sc2c1CCCCC2 ZINC000027118408 1399985480 /nfs/dbraw/zinc/98/54/80/1399985480.db2.gz VBACGAVEGBAONO-UHFFFAOYSA-N 0 3 386.565 3.387 20 30 GGEDHN C=CCc1cc(C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc(OC)c1OC ZINC000027587096 1400063012 /nfs/dbraw/zinc/06/30/12/1400063012.db2.gz ANHZAMGZEFGIIA-HXUWFJFHSA-N 0 3 382.504 3.335 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nc2ccccc2c1=O ZINC000029355156 1400286787 /nfs/dbraw/zinc/28/67/87/1400286787.db2.gz APEKJAMTRWUAMT-CYBMUJFWSA-N 0 3 384.486 3.150 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827732 1400358771 /nfs/dbraw/zinc/35/87/71/1400358771.db2.gz QTMLHUZPZHVPDW-QZTJIDSGSA-N 0 3 377.444 3.319 20 30 GGEDHN CCN1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C#N)c(C)c2)CC1 ZINC000056170226 1407238704 /nfs/dbraw/zinc/23/87/04/1407238704.db2.gz MLECBXAJIILTCN-SFHVURJKSA-N 0 3 391.519 3.448 20 30 GGEDHN CSc1nc(C2CC2)cc(C(=O)NCCN(C)Cc2ccccc2)c1C#N ZINC000056191983 1407247091 /nfs/dbraw/zinc/24/70/91/1407247091.db2.gz LNGGDNCFOQNGNM-UHFFFAOYSA-N 0 3 380.517 3.414 20 30 GGEDHN CCc1ccc([C@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)N(C)C)cc1 ZINC000043728994 1403809015 /nfs/dbraw/zinc/80/90/15/1403809015.db2.gz DEVZRCKNSLTSRF-QFIPXVFZSA-N 0 3 395.551 3.328 20 30 GGEDHN Cc1cnn(-c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)c1 ZINC000044566415 1403951637 /nfs/dbraw/zinc/95/16/37/1403951637.db2.gz OSMVWTZHOAAHPA-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN COc1cccc(SCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000044566549 1403952078 /nfs/dbraw/zinc/95/20/78/1403952078.db2.gz QTAXSTBKNOLOLR-UHFFFAOYSA-N 0 3 383.517 3.249 20 30 GGEDHN CC1=NN(c2ccc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000044566525 1403952375 /nfs/dbraw/zinc/95/23/75/1403952375.db2.gz FLWVDERLHQDOHM-UHFFFAOYSA-N 0 3 389.503 3.348 20 30 GGEDHN CN(C)Cc1cccc(NC(=O)N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046008016 1404270454 /nfs/dbraw/zinc/27/04/54/1404270454.db2.gz SLNVLCWJJNKVER-UHFFFAOYSA-N 0 3 377.492 3.364 20 30 GGEDHN Cc1cccc(C)c1OC[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000046086874 1404293287 /nfs/dbraw/zinc/29/32/87/1404293287.db2.gz DTJXEDKSGHBFJQ-NRFANRHFSA-N 0 3 379.504 3.127 20 30 GGEDHN CCOCc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000046176839 1404321512 /nfs/dbraw/zinc/32/15/12/1404321512.db2.gz XYMLLGCFMSKPFF-UHFFFAOYSA-N 0 3 394.519 3.368 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)Cc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000046343145 1404373268 /nfs/dbraw/zinc/37/32/68/1404373268.db2.gz MMMSQIJZZLUCQR-IBGZPJMESA-N 0 3 399.487 3.067 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(F)c(Cl)c1 ZINC000047011662 1404673347 /nfs/dbraw/zinc/67/33/47/1404673347.db2.gz QNTNLQVDLLDIBI-UHFFFAOYSA-N 0 3 389.858 3.320 20 30 GGEDHN COc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(OC)c1C ZINC000047010332 1404673674 /nfs/dbraw/zinc/67/36/74/1404673674.db2.gz ZVANWMVGKGQCHA-UHFFFAOYSA-N 0 3 381.476 3.088 20 30 GGEDHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047010564 1404674695 /nfs/dbraw/zinc/67/46/95/1404674695.db2.gz ACMVJTJIJUXIGL-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN Cc1ccnn1-c1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000047011178 1404674844 /nfs/dbraw/zinc/67/48/44/1404674844.db2.gz XNOYNJRNIRSSHR-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000047234320 1404761012 /nfs/dbraw/zinc/76/10/12/1404761012.db2.gz SKGOBYJPAMDQRL-UHFFFAOYSA-N 0 3 398.488 3.149 20 30 GGEDHN C=CCNC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000047605859 1404877632 /nfs/dbraw/zinc/87/76/32/1404877632.db2.gz JTZSUOGOKRGBOO-UHFFFAOYSA-N 0 3 384.446 3.093 20 30 GGEDHN COc1cccc([C@H](CNC(=O)NCC#Cc2ccccc2)N2CCCC2)c1 ZINC000047986317 1405018513 /nfs/dbraw/zinc/01/85/13/1405018513.db2.gz XTBLGCZOSASKPE-QFIPXVFZSA-N 0 3 377.488 3.183 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000048282972 1405127245 /nfs/dbraw/zinc/12/72/45/1405127245.db2.gz BRWWAGFQDPYPSD-NRFANRHFSA-N 0 3 380.492 3.449 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000049226185 1405354366 /nfs/dbraw/zinc/35/43/66/1405354366.db2.gz LSUUXSFZQTZEMC-HKUYNNGSSA-N 0 3 398.507 3.336 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000049232905 1405354957 /nfs/dbraw/zinc/35/49/57/1405354957.db2.gz CTWXYAJYUBYVNC-HNNXBMFYSA-N 0 3 388.855 3.338 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000049252845 1405357476 /nfs/dbraw/zinc/35/74/76/1405357476.db2.gz SSHHQPVKCYUNBC-AZUAARDMSA-N 0 3 397.519 3.171 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000049252842 1405357578 /nfs/dbraw/zinc/35/75/78/1405357578.db2.gz SSHHQPVKCYUNBC-ICSRJNTNSA-N 0 3 397.519 3.171 20 30 GGEDHN N#CC(C(=O)c1ccc(OC(F)F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392330 1405375812 /nfs/dbraw/zinc/37/58/12/1405375812.db2.gz IQPAVFITOBMRDY-AWEZNQCLSA-N 0 3 396.357 3.289 20 30 GGEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049395593 1405377171 /nfs/dbraw/zinc/37/71/71/1405377171.db2.gz UUMHQVAZWISJGB-QGZVFWFLSA-N 0 3 386.415 3.252 20 30 GGEDHN N#CC(C(=O)CCCc1nc(-c2cccs2)no1)C(=O)NCc1ccccc1 ZINC000049492047 1405380424 /nfs/dbraw/zinc/38/04/24/1405380424.db2.gz SEYJRMFVHOSNSK-OAHLLOKOSA-N 0 3 394.456 3.146 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2ccc(OCc3cccnc3)cc2)CC1 ZINC000050031624 1405458511 /nfs/dbraw/zinc/45/85/11/1405458511.db2.gz IHMMBZSEKOGPGJ-GOSISDBHSA-N 0 3 377.488 3.183 20 30 GGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000050090495 1405478227 /nfs/dbraw/zinc/47/82/27/1405478227.db2.gz ZRLOOKUTUJIKMD-UHFFFAOYSA-N 0 3 388.418 3.441 20 30 GGEDHN CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)C(C#N)C(=O)NC1CCCCC1 ZINC000050679909 1405622198 /nfs/dbraw/zinc/62/21/98/1405622198.db2.gz NKGQLPSUPZYUDL-VQTJNVASSA-N 0 3 379.460 3.108 20 30 GGEDHN N#CC(C(=O)CCC(=O)CCC(=O)c1cccs1)C(=O)NC1CCCCC1 ZINC000050684906 1405623574 /nfs/dbraw/zinc/62/35/74/1405623574.db2.gz OONYAJMZEUZIOT-MRXNPFEDSA-N 0 3 388.489 3.218 20 30 GGEDHN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)C(C#N)C(=O)NC3CCCCC3)C2)cc1 ZINC000050683578 1405624141 /nfs/dbraw/zinc/62/41/41/1405624141.db2.gz AXKQZHHMXJBADV-UYAOXDASSA-N 0 3 395.503 3.005 20 30 GGEDHN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)C(C#N)C(=O)NC3CCCCC3)C2)cc1 ZINC000050683586 1405624317 /nfs/dbraw/zinc/62/43/17/1405624317.db2.gz AXKQZHHMXJBADV-QUCCMNQESA-N 0 3 395.503 3.005 20 30 GGEDHN N#Cc1ccc(CN2CCCN(CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000051181038 1405738245 /nfs/dbraw/zinc/73/82/45/1405738245.db2.gz WEEQEHAGXFBFCZ-UHFFFAOYSA-N 0 3 380.448 3.053 20 30 GGEDHN N#Cc1cccc(OCCN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1 ZINC000051406649 1405806137 /nfs/dbraw/zinc/80/61/37/1405806137.db2.gz JEHDNELWKNVYOU-UHFFFAOYSA-N 0 3 375.472 3.494 20 30 GGEDHN Cc1ccc(C(=O)CCC(=O)CCC(=O)C(C#N)C(=O)NC2CCCC2)s1 ZINC000051654441 1405845443 /nfs/dbraw/zinc/84/54/43/1405845443.db2.gz VCDCZBYIAAGRGG-MRXNPFEDSA-N 0 3 388.489 3.136 20 30 GGEDHN COc1ccc(CCC(=O)C(C#N)C(=O)NC2CCCC2)cc1Br ZINC000051654334 1405845542 /nfs/dbraw/zinc/84/55/42/1405845542.db2.gz KECVLAAMJVHTTC-AWEZNQCLSA-N 0 3 393.281 3.158 20 30 GGEDHN C[C@@H](COc1cccc(F)c1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000052581735 1406088964 /nfs/dbraw/zinc/08/89/64/1406088964.db2.gz UOANBSAGKSLZRW-KRWDZBQOSA-N 0 3 398.482 3.238 20 30 GGEDHN N#Cc1cccc(OCCN2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000052830009 1406192015 /nfs/dbraw/zinc/19/20/15/1406192015.db2.gz OYRDRFNMMXBIAF-MRXNPFEDSA-N 0 3 384.867 3.336 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)CC1 ZINC000057174790 1407546035 /nfs/dbraw/zinc/54/60/35/1407546035.db2.gz UTODBZDLPBOCIE-UHFFFAOYSA-N 0 3 393.462 3.039 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccc(Oc3ccccc3OCC)nc2)CC1 ZINC000057175391 1407546175 /nfs/dbraw/zinc/54/61/75/1407546175.db2.gz YIORMJJLKNYVGJ-UHFFFAOYSA-N 0 3 393.487 3.234 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000057605868 1407663341 /nfs/dbraw/zinc/66/33/41/1407663341.db2.gz KYTHGFOHNQJONO-NRFANRHFSA-N 0 3 380.492 3.019 20 30 GGEDHN COCCN(CCC(=O)NCc1ccccc1Cl)Cc1ccc(C#N)cc1 ZINC000058397667 1407822927 /nfs/dbraw/zinc/82/29/27/1407822927.db2.gz LFTLAODAWNLILV-UHFFFAOYSA-N 0 3 385.895 3.367 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000059001216 1407911501 /nfs/dbraw/zinc/91/15/01/1407911501.db2.gz LABRJZSKHVMSGF-UHFFFAOYSA-N 0 3 399.514 3.076 20 30 GGEDHN Cc1cc(C)c(OCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000060575776 1408005306 /nfs/dbraw/zinc/00/53/06/1408005306.db2.gz KWOQELIIDYLLQI-UHFFFAOYSA-N 0 3 379.504 3.453 20 30 GGEDHN Cc1cc(Cl)ccc1OCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000060575830 1408005551 /nfs/dbraw/zinc/00/55/51/1408005551.db2.gz PRRAEKSGXFHKBW-UHFFFAOYSA-N 0 3 385.895 3.489 20 30 GGEDHN C=C(C)COc1cc(CNCc2ccc(N3CCN(C)CC3)nc2)ccc1OC ZINC000060947222 1408055318 /nfs/dbraw/zinc/05/53/18/1408055318.db2.gz KJWFTXVANZAZAL-UHFFFAOYSA-N 0 3 396.535 3.087 20 30 GGEDHN N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000061649536 1408160343 /nfs/dbraw/zinc/16/03/43/1408160343.db2.gz ZWLWWVJQUCBBTK-ROUUACIJSA-N 0 3 393.512 3.302 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)cc1 ZINC000062403627 1408252485 /nfs/dbraw/zinc/25/24/85/1408252485.db2.gz OBDHPRYJDUKYPQ-UHFFFAOYSA-N 0 3 398.482 3.337 20 30 GGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000063400412 1408348785 /nfs/dbraw/zinc/34/87/85/1408348785.db2.gz KKXHWOAVOJZFTN-JOCHJYFZSA-N 0 3 376.504 3.429 20 30 GGEDHN COCCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C#N)cc1 ZINC000063754566 1408402653 /nfs/dbraw/zinc/40/26/53/1408402653.db2.gz IIXDVZKOFJKUEP-UHFFFAOYSA-N 0 3 396.447 3.252 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(C)cc2OCC(F)(F)F)CC1 ZINC000176453827 1428325109 /nfs/dbraw/zinc/32/51/09/1428325109.db2.gz SQIPMXUGECZZNQ-UHFFFAOYSA-N 0 3 385.430 3.386 20 30 GGEDHN Cc1oc(-c2cnn(C)c2)nc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000176460449 1428326549 /nfs/dbraw/zinc/32/65/49/1428326549.db2.gz RUPXRGYDQFQXTR-KRWDZBQOSA-N 0 3 399.410 3.498 20 30 GGEDHN COc1ccc(CNCCNC(=O)c2ccc(C)c(F)c2)cc1OCCCC#N ZINC000064613915 1408585852 /nfs/dbraw/zinc/58/58/52/1408585852.db2.gz UEMFNZAVQTUWIC-UHFFFAOYSA-N 0 3 399.466 3.345 20 30 GGEDHN N#Cc1ccc(CN2CCCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000065532588 1408685173 /nfs/dbraw/zinc/68/51/73/1408685173.db2.gz AHWYALBSDCBUGQ-UHFFFAOYSA-N 0 3 380.448 3.053 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000176500371 1428341356 /nfs/dbraw/zinc/34/13/56/1428341356.db2.gz GNCBDLFFWLDYIP-OAHLLOKOSA-N 0 3 399.495 3.146 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000176500251 1428341552 /nfs/dbraw/zinc/34/15/52/1428341552.db2.gz RNGKLVHULGDQEA-FQEVSTJZSA-N 0 3 383.492 3.175 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(-c3cccc(OC)c3)no2)CC1 ZINC000176500352 1428341691 /nfs/dbraw/zinc/34/16/91/1428341691.db2.gz GNCBDLFFWLDYIP-HNNXBMFYSA-N 0 3 399.495 3.146 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000176501605 1428342110 /nfs/dbraw/zinc/34/21/10/1428342110.db2.gz CZCCUKHNEORQNE-GOSISDBHSA-N 0 3 394.560 3.068 20 30 GGEDHN COc1ccc2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000065785222 1408729399 /nfs/dbraw/zinc/72/93/99/1408729399.db2.gz KYBBNGWCUWCHIV-UHFFFAOYSA-N 0 3 376.460 3.252 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000065930479 1408756415 /nfs/dbraw/zinc/75/64/15/1408756415.db2.gz WZQHGOYGXHYAER-UHFFFAOYSA-N 0 3 387.487 3.007 20 30 GGEDHN CC(C)n1ncc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cnc21 ZINC000065930757 1408756591 /nfs/dbraw/zinc/75/65/91/1408756591.db2.gz PMMUWVJNRUDFJW-UHFFFAOYSA-N 0 3 390.491 3.088 20 30 GGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000065937368 1408758368 /nfs/dbraw/zinc/75/83/68/1408758368.db2.gz LMVWZYPNHCNWTN-OAHLLOKOSA-N 0 3 387.430 3.194 20 30 GGEDHN C[C@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000066189060 1408788945 /nfs/dbraw/zinc/78/89/45/1408788945.db2.gz KEBJCDKWAUPSAZ-SFHVURJKSA-N 0 3 391.519 3.363 20 30 GGEDHN C#CCN1CCC(C(=O)NC(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000066515299 1408851588 /nfs/dbraw/zinc/85/15/88/1408851588.db2.gz NAQAEEKTBCZEMB-UHFFFAOYSA-N 0 3 377.326 3.232 20 30 GGEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545172 1408855818 /nfs/dbraw/zinc/85/58/18/1408855818.db2.gz WLCQFQNSKLNEEY-BXUZGUMPSA-N 0 3 394.485 3.167 20 30 GGEDHN CN(C)Cc1ccccc1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000066618653 1408869552 /nfs/dbraw/zinc/86/95/52/1408869552.db2.gz QFISCTFYUWGVHZ-UHFFFAOYSA-N 0 3 392.503 3.091 20 30 GGEDHN COC(=O)[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000066835223 1408924324 /nfs/dbraw/zinc/92/43/24/1408924324.db2.gz IAZWKURUFATWQE-AWEZNQCLSA-N 0 3 389.521 3.102 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccc4c(c3)OCCO4)n2)CC1 ZINC000066838882 1408925100 /nfs/dbraw/zinc/92/51/00/1408925100.db2.gz BWCXCGJUYBTYFI-UHFFFAOYSA-N 0 3 399.516 3.352 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000066900066 1408946217 /nfs/dbraw/zinc/94/62/17/1408946217.db2.gz OYLZOLQKLFZLLL-IBGZPJMESA-N 0 3 377.444 3.495 20 30 GGEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000066953600 1408962850 /nfs/dbraw/zinc/96/28/50/1408962850.db2.gz KXPYFPLZHWPQPE-UHFFFAOYSA-N 0 3 382.464 3.392 20 30 GGEDHN CCOc1cc(CNCc2cccc(C#N)c2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000066971995 1408969418 /nfs/dbraw/zinc/96/94/18/1408969418.db2.gz SDFSBFMLEZPBOH-INIZCTEOSA-N 0 3 381.476 3.102 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)CC1 ZINC000067203141 1409040428 /nfs/dbraw/zinc/04/04/28/1409040428.db2.gz MCLQHKYQBIGQRV-UHFFFAOYSA-N 0 3 393.462 3.039 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000067204508 1409041359 /nfs/dbraw/zinc/04/13/59/1409041359.db2.gz KZGLHORMNVDYPI-IBGZPJMESA-N 0 3 393.487 3.245 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000067233977 1409050023 /nfs/dbraw/zinc/05/00/23/1409050023.db2.gz JRJHAWYDMVDMCY-JOCHJYFZSA-N 0 3 380.463 3.385 20 30 GGEDHN N#Cc1nc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC000067370662 1409089352 /nfs/dbraw/zinc/08/93/52/1409089352.db2.gz WFDJCKDSXSCXJS-QGZVFWFLSA-N 0 3 396.926 3.040 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067732192 1409216577 /nfs/dbraw/zinc/21/65/77/1409216577.db2.gz GIBAEVVTJIZFIE-LEWJYISDSA-N 0 3 380.467 3.327 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(N3CCC(C)=N3)cc2)n1 ZINC000067897739 1409251496 /nfs/dbraw/zinc/25/14/96/1409251496.db2.gz YFXJAIBGQXXCEV-HNNXBMFYSA-N 0 3 382.445 3.396 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(N3CCC(C)=N3)cc2)n1 ZINC000067897741 1409251634 /nfs/dbraw/zinc/25/16/34/1409251634.db2.gz YFXJAIBGQXXCEV-OAHLLOKOSA-N 0 3 382.445 3.396 20 30 GGEDHN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000068310004 1409360897 /nfs/dbraw/zinc/36/08/97/1409360897.db2.gz FUBALJWXMIZKCG-HNNXBMFYSA-N 0 3 387.430 3.194 20 30 GGEDHN Cc1nn(C)c2sc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc12 ZINC000068310427 1409360924 /nfs/dbraw/zinc/36/09/24/1409360924.db2.gz UJBMPYHGGBUHKN-UHFFFAOYSA-N 0 3 381.505 3.019 20 30 GGEDHN C#CCN1CCC(C(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000176669622 1428398471 /nfs/dbraw/zinc/39/84/71/1428398471.db2.gz XWXPLMKYMJSTJH-UHFFFAOYSA-N 0 3 392.499 3.255 20 30 GGEDHN Cc1cc(C)c(CON=C(N)c2ccccc2CN2CCC(O)CC2)c(C)c1 ZINC000068776748 1409489860 /nfs/dbraw/zinc/48/98/60/1409489860.db2.gz XJKWKAMUJNLRQY-UHFFFAOYSA-N 0 3 381.520 3.406 20 30 GGEDHN C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000069016428 1409544459 /nfs/dbraw/zinc/54/44/59/1409544459.db2.gz HKUQJPMWZUGSCW-PMACEKPBSA-N 0 3 398.551 3.418 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000069121774 1409571840 /nfs/dbraw/zinc/57/18/40/1409571840.db2.gz OWCUCYZCSOGVOL-HXUWFJFHSA-N 0 3 378.476 3.005 20 30 GGEDHN CN(C)CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000069156001 1409577076 /nfs/dbraw/zinc/57/70/76/1409577076.db2.gz SLHFSDVTOKGCTF-UHFFFAOYSA-N 0 3 384.524 3.046 20 30 GGEDHN C#CCOc1cccc(NC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000069343447 1409618422 /nfs/dbraw/zinc/61/84/22/1409618422.db2.gz VHNHPWYOYMQNLE-ROUUACIJSA-N 0 3 385.508 3.052 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCOc2ccc(F)cc21 ZINC000069463685 1409639479 /nfs/dbraw/zinc/63/94/79/1409639479.db2.gz DPHOTBAINHCQTN-HXUWFJFHSA-N 0 3 396.466 3.294 20 30 GGEDHN CN(CCC#N)c1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000069751401 1409690908 /nfs/dbraw/zinc/69/09/08/1409690908.db2.gz KFQRZDZZTXTEGE-UHFFFAOYSA-N 0 3 382.483 3.302 20 30 GGEDHN Cc1cccc(N2CCN(CCC(=O)N(C)Cc3cccc(C#N)c3)CC2)c1 ZINC000072882012 1409855184 /nfs/dbraw/zinc/85/51/84/1409855184.db2.gz VSJBOCFPMBVUPJ-UHFFFAOYSA-N 0 3 376.504 3.037 20 30 GGEDHN CN(CCC#N)c1ccc(CNCc2ccccc2CN2CCCC2=O)cc1 ZINC000075774674 1409883259 /nfs/dbraw/zinc/88/32/59/1409883259.db2.gz LRXHKSCTYTVFPT-UHFFFAOYSA-N 0 3 376.504 3.449 20 30 GGEDHN CCN1CCN(CCCNc2cc(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000076715929 1409890872 /nfs/dbraw/zinc/89/08/72/1409890872.db2.gz FAKPYTPANWWWHM-UHFFFAOYSA-N 0 3 376.508 3.107 20 30 GGEDHN Cc1ccccc1[C@@H]1C[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000077850796 1409903155 /nfs/dbraw/zinc/90/31/55/1409903155.db2.gz XDLDJYNGOKWDGS-FCHUYYIVSA-N 0 3 376.504 3.496 20 30 GGEDHN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000176733694 1428440848 /nfs/dbraw/zinc/44/08/48/1428440848.db2.gz OSOBEXHRRQNWAT-WFASDCNBSA-N 0 3 386.404 3.253 20 30 GGEDHN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000176733714 1428440935 /nfs/dbraw/zinc/44/09/35/1428440935.db2.gz OSOBEXHRRQNWAT-DOMZBBRYSA-N 0 3 386.404 3.253 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3ccccc3Cl)CC2)CC1 ZINC000078533548 1409923323 /nfs/dbraw/zinc/92/33/23/1409923323.db2.gz ZZPQCCBNWPHIBU-UHFFFAOYSA-N 0 3 376.932 3.212 20 30 GGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C1CCC(CO)CC1 ZINC000089923871 1410059243 /nfs/dbraw/zinc/05/92/43/1410059243.db2.gz DQJWFIPMEYQHBE-KLAILNCOSA-N 0 3 375.538 3.360 20 30 GGEDHN C#CCOc1ccccc1CN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000092644535 1410182651 /nfs/dbraw/zinc/18/26/51/1410182651.db2.gz CXUYFGQJTWSRNY-UHFFFAOYSA-N 0 3 382.529 3.331 20 30 GGEDHN CNC(=O)CC1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000093588396 1410254684 /nfs/dbraw/zinc/25/46/84/1410254684.db2.gz GZYVJUOZPOCIEY-UHFFFAOYSA-N 0 3 377.488 3.485 20 30 GGEDHN COc1cc(CN2CCN(CC(C)(C)CCC#N)CC2)cc(OC)c1OC ZINC000093760549 1410264537 /nfs/dbraw/zinc/26/45/37/1410264537.db2.gz YKPGCFCSYNRLAF-UHFFFAOYSA-N 0 3 375.513 3.160 20 30 GGEDHN CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000176817390 1428479768 /nfs/dbraw/zinc/47/97/68/1428479768.db2.gz QAKUYLJCAYEDSU-LEWJYISDSA-N 0 3 386.540 3.083 20 30 GGEDHN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000176817410 1428480199 /nfs/dbraw/zinc/48/01/99/1428480199.db2.gz QAKUYLJCAYEDSU-SFTDATJTSA-N 0 3 386.540 3.083 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(CC#N)cc3)CC2)C[C@@H](C)O1 ZINC000176819474 1428481888 /nfs/dbraw/zinc/48/18/88/1428481888.db2.gz TUFWHOMJZSKBIX-QZTJIDSGSA-N 0 3 384.524 3.496 20 30 GGEDHN CN(CCC#N)c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000098173872 1410436401 /nfs/dbraw/zinc/43/64/01/1410436401.db2.gz CUDPBYCDEDBAHG-UHFFFAOYSA-N 0 3 396.510 3.426 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000101658568 1410487742 /nfs/dbraw/zinc/48/77/42/1410487742.db2.gz ZUTOHNNPRXDGQF-UHFFFAOYSA-N 0 3 378.476 3.317 20 30 GGEDHN COc1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000102120433 1410566536 /nfs/dbraw/zinc/56/65/36/1410566536.db2.gz MKEPUVSATGVKJJ-NSHDSACASA-N 0 3 391.742 3.357 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000102604865 1410670267 /nfs/dbraw/zinc/67/02/67/1410670267.db2.gz RTWGYOHLEWGSAK-UHFFFAOYSA-N 0 3 384.549 3.445 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2)CC1 ZINC000102791841 1410758078 /nfs/dbraw/zinc/75/80/78/1410758078.db2.gz KJYNXPNFPMPTIH-UHFFFAOYSA-N 0 3 392.503 3.103 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1Cl ZINC000103638434 1410870458 /nfs/dbraw/zinc/87/04/58/1410870458.db2.gz AOBDUQMHMXWWJX-HNNXBMFYSA-N 0 3 393.834 3.499 20 30 GGEDHN C[C@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)NC1=O ZINC000103796664 1410875367 /nfs/dbraw/zinc/87/53/67/1410875367.db2.gz UIQAXPYRVQZPAZ-BXKDBHETSA-N 0 3 375.306 3.310 20 30 GGEDHN N#Cc1cccc(OC2CCN(CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000104716014 1410940220 /nfs/dbraw/zinc/94/02/20/1410940220.db2.gz FTEBWRXMPZUURR-UHFFFAOYSA-N 0 3 394.431 3.338 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COCc3ccccc3F)CC2)c1 ZINC000104963129 1411004360 /nfs/dbraw/zinc/00/43/60/1411004360.db2.gz WZLMFXIFJGDEHT-LJQANCHMSA-N 0 3 384.451 3.118 20 30 GGEDHN CC1(C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CCN1Cc1ccccc1 ZINC000104968401 1411005117 /nfs/dbraw/zinc/00/51/17/1411005117.db2.gz XTDWPKBLWHCZOK-QFIPXVFZSA-N 0 3 393.531 3.089 20 30 GGEDHN CN(CCN1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1)Cc1ccccc1 ZINC000104985800 1411008444 /nfs/dbraw/zinc/00/84/44/1411008444.db2.gz QYKGJZRIPRDCGO-UHFFFAOYSA-N 0 3 391.519 3.034 20 30 GGEDHN COCCN(CCN(C)C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000105039193 1411018920 /nfs/dbraw/zinc/01/89/20/1411018920.db2.gz GKQFVFLEAIVSGD-UHFFFAOYSA-N 0 3 382.464 3.392 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccco3)no2)cc1 ZINC000105263036 1411048216 /nfs/dbraw/zinc/04/82/16/1411048216.db2.gz MCYRHEWNAIIRMQ-OAHLLOKOSA-N 0 3 378.388 3.172 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000176971949 1428535401 /nfs/dbraw/zinc/53/54/01/1428535401.db2.gz FNQMPNUJWMJLRW-IYBDPMFKSA-N 0 3 388.487 3.441 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)N(C)C1CCN(CCc2ccccn2)CC1 ZINC000105719889 1411112082 /nfs/dbraw/zinc/11/20/82/1411112082.db2.gz DNBCYXBERFQZLR-UHFFFAOYSA-N 0 3 377.492 3.433 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000105974457 1411138017 /nfs/dbraw/zinc/13/80/17/1411138017.db2.gz HXTNYRFXQUKXOP-UHFFFAOYSA-N 0 3 388.471 3.197 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000106035191 1411154858 /nfs/dbraw/zinc/15/48/58/1411154858.db2.gz NPLQRQWNRAEXBW-UHFFFAOYSA-N 0 3 385.489 3.309 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000106038727 1411156638 /nfs/dbraw/zinc/15/66/38/1411156638.db2.gz IFQQEOVUUXTYLA-UHFFFAOYSA-N 0 3 386.496 3.355 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(OCC)c(OC)c2)CC1 ZINC000106259727 1411186351 /nfs/dbraw/zinc/18/63/51/1411186351.db2.gz QACZBZVIKLBENJ-MRXNPFEDSA-N 0 3 375.513 3.495 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000106265184 1411187449 /nfs/dbraw/zinc/18/74/49/1411187449.db2.gz NDFLLRKCKBJLMT-UHFFFAOYSA-N 0 3 385.430 3.424 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC000106266068 1411187547 /nfs/dbraw/zinc/18/75/47/1411187547.db2.gz DCONUFQNCQOOFI-UHFFFAOYSA-N 0 3 389.515 3.214 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000106275652 1411188871 /nfs/dbraw/zinc/18/88/71/1411188871.db2.gz FPPODZPESHOGCD-SFHVURJKSA-N 0 3 394.560 3.116 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(=O)OCC)c2ccc(F)cc2)CC1 ZINC000106274818 1411189108 /nfs/dbraw/zinc/18/91/08/1411189108.db2.gz TZOOQMBMLCFURD-IBGZPJMESA-N 0 3 391.487 3.160 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000106275799 1411189425 /nfs/dbraw/zinc/18/94/25/1411189425.db2.gz KGGITKXPKIDNMA-MRXNPFEDSA-N 0 3 399.539 3.371 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)CC1 ZINC000106275797 1411189626 /nfs/dbraw/zinc/18/96/26/1411189626.db2.gz KGGITKXPKIDNMA-INIZCTEOSA-N 0 3 399.539 3.371 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000106341230 1411198093 /nfs/dbraw/zinc/19/80/93/1411198093.db2.gz BJYBWORRRQQDOV-IBGZPJMESA-N 0 3 385.508 3.345 20 30 GGEDHN COCCN(CCN(C)C)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000106773176 1411298733 /nfs/dbraw/zinc/29/87/33/1411298733.db2.gz RMJASIPCIRLAJX-UHFFFAOYSA-N 0 3 385.439 3.140 20 30 GGEDHN N#CC(C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)C(=O)NC1CC1 ZINC000106984627 1411333147 /nfs/dbraw/zinc/33/31/47/1411333147.db2.gz ZQEKOSSFHDJDHS-IBGZPJMESA-N 0 3 382.847 3.449 20 30 GGEDHN N#CC(C(=O)Cc1cccc(OCc2cccc(Cl)c2)c1)C(=O)NC1CC1 ZINC000106984624 1411333241 /nfs/dbraw/zinc/33/32/41/1411333241.db2.gz ZQEKOSSFHDJDHS-LJQANCHMSA-N 0 3 382.847 3.449 20 30 GGEDHN Cc1nn(Cc2ccc(C)cc2)c(C)c1CCC(=O)C(C#N)C(=O)NC(C)C ZINC000106984826 1411333330 /nfs/dbraw/zinc/33/33/30/1411333330.db2.gz GFMXUDZRHXHDOO-HXUWFJFHSA-N 0 3 380.492 3.023 20 30 GGEDHN CN(C)CCN(Cc1ccccn1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000107378981 1411367438 /nfs/dbraw/zinc/36/74/38/1411367438.db2.gz TVLAVXSDOIISQH-UHFFFAOYSA-N 0 3 389.406 3.150 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C[C@H](C)Cc2ccccc2OC)cc1 ZINC000107409691 1411375603 /nfs/dbraw/zinc/37/56/03/1411375603.db2.gz LNUSDOLAJOEVGY-UZLBHIALSA-N 0 3 394.471 3.298 20 30 GGEDHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)cn1 ZINC000107574955 1411388755 /nfs/dbraw/zinc/38/87/55/1411388755.db2.gz ZDVUXKHIIWXKJZ-UHFFFAOYSA-N 0 3 376.382 3.176 20 30 GGEDHN CCN1CCN(Cc2ccccc2CNC(=O)/C=C/c2ccccc2C#N)CC1 ZINC000107591197 1411389789 /nfs/dbraw/zinc/38/97/89/1411389789.db2.gz WZEJILASAYGHSI-VAWYXSNFSA-N 0 3 388.515 3.025 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000107747686 1411406090 /nfs/dbraw/zinc/40/60/90/1411406090.db2.gz GMNRYXCDPMZGLY-QGZVFWFLSA-N 0 3 385.430 3.079 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000108068920 1411435697 /nfs/dbraw/zinc/43/56/97/1411435697.db2.gz GVXYSXFIANRAFD-CQSZACIVSA-N 0 3 398.415 3.072 20 30 GGEDHN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000108468665 1411512059 /nfs/dbraw/zinc/51/20/59/1411512059.db2.gz PYFQNOXIEUEUMF-UNMCSNQZSA-N 0 3 379.504 3.251 20 30 GGEDHN C#CCOc1cccc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000108520319 1411527400 /nfs/dbraw/zinc/52/74/00/1411527400.db2.gz RXDDMLUSKKYEAT-UHFFFAOYSA-N 0 3 392.503 3.264 20 30 GGEDHN COCCN1CCC(NC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000108529065 1411530840 /nfs/dbraw/zinc/53/08/40/1411530840.db2.gz QIPCNCRTPHTLGZ-OAHLLOKOSA-N 0 3 376.526 3.171 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1C1CC1 ZINC000177076291 1428579524 /nfs/dbraw/zinc/57/95/24/1428579524.db2.gz BSIHSUPWMLTYFQ-OXJNMPFZSA-N 0 3 375.472 3.492 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)CN1C1CC1 ZINC000177076258 1428579795 /nfs/dbraw/zinc/57/97/95/1428579795.db2.gz BSIHSUPWMLTYFQ-JXFKEZNVSA-N 0 3 375.472 3.492 20 30 GGEDHN C=CCNC(=O)C(C#N)C(=O)CCCCOc1ccc(Br)cc1 ZINC000108937976 1411646611 /nfs/dbraw/zinc/64/66/11/1411646611.db2.gz OFAZNLUVPLQTCF-OAHLLOKOSA-N 0 3 379.254 3.009 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1ccc(C(=O)NC)cc1 ZINC000109026040 1411664880 /nfs/dbraw/zinc/66/48/80/1411664880.db2.gz UCZDCBHSODFCFN-UHFFFAOYSA-N 0 3 399.564 3.144 20 30 GGEDHN COCCN1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000109029460 1411665886 /nfs/dbraw/zinc/66/58/86/1411665886.db2.gz PDTFEBXKKTYFCM-HNNXBMFYSA-N 0 3 376.526 3.313 20 30 GGEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000109034387 1411667808 /nfs/dbraw/zinc/66/78/08/1411667808.db2.gz BHIRGQZOTLIUTM-HZPDHXFCSA-N 0 3 388.537 3.010 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cccnc21 ZINC000109184602 1411706451 /nfs/dbraw/zinc/70/64/51/1411706451.db2.gz NYGMVCGOGDOIOC-QGZVFWFLSA-N 0 3 396.410 3.085 20 30 GGEDHN N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000109761455 1411808300 /nfs/dbraw/zinc/80/83/00/1411808300.db2.gz BUIDEKKLVRGHCV-HXUWFJFHSA-N 0 3 379.460 3.274 20 30 GGEDHN N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)cc1 ZINC000109761455 1411808301 /nfs/dbraw/zinc/80/83/01/1411808301.db2.gz BUIDEKKLVRGHCV-HXUWFJFHSA-N 0 3 379.460 3.274 20 30 GGEDHN N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000109761452 1411808314 /nfs/dbraw/zinc/80/83/14/1411808314.db2.gz BUIDEKKLVRGHCV-FQEVSTJZSA-N 0 3 379.460 3.274 20 30 GGEDHN N#Cc1ccc(NC(=O)CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)cc1 ZINC000109761452 1411808316 /nfs/dbraw/zinc/80/83/16/1411808316.db2.gz BUIDEKKLVRGHCV-FQEVSTJZSA-N 0 3 379.460 3.274 20 30 GGEDHN N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761674 1411808436 /nfs/dbraw/zinc/80/84/36/1411808436.db2.gz LUWSMVBBZYOXSS-LJQANCHMSA-N 0 3 379.460 3.274 20 30 GGEDHN N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761674 1411808437 /nfs/dbraw/zinc/80/84/37/1411808437.db2.gz LUWSMVBBZYOXSS-LJQANCHMSA-N 0 3 379.460 3.274 20 30 GGEDHN C[C@@H]1CCCN(c2cc(N3CCCN(Cc4ccc(C#N)cc4)CC3)ncn2)C1 ZINC000110124529 1411832834 /nfs/dbraw/zinc/83/28/34/1411832834.db2.gz LUYGXZWDHCUJKY-LJQANCHMSA-N 0 3 390.535 3.297 20 30 GGEDHN COc1ccc([C@@H](CNC(=O)Cc2ccc(OCC#N)cc2)N2CCCC2)cc1 ZINC000110170803 1411835391 /nfs/dbraw/zinc/83/53/91/1411835391.db2.gz CPLPLEDPEYYIKC-JOCHJYFZSA-N 0 3 393.487 3.093 20 30 GGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000110196292 1411836789 /nfs/dbraw/zinc/83/67/89/1411836789.db2.gz OSPRTGHXRHZXJE-FQEVSTJZSA-N 0 3 391.515 3.493 20 30 GGEDHN COc1cc(/C=C/C(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1OCC#N ZINC000110352610 1411846247 /nfs/dbraw/zinc/84/62/47/1411846247.db2.gz MVRSKAQLWGURJB-KSEUIEODSA-N 0 3 393.487 3.247 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110669817 1411863051 /nfs/dbraw/zinc/86/30/51/1411863051.db2.gz SIMYGOGHOLEMDJ-UHFFFAOYSA-N 0 3 387.430 3.000 20 30 GGEDHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110669783 1411863061 /nfs/dbraw/zinc/86/30/61/1411863061.db2.gz JEFDORRQOXOFKV-UHFFFAOYSA-N 0 3 385.895 3.375 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Cc1ccc(OCC#N)cc1 ZINC000110669799 1411863174 /nfs/dbraw/zinc/86/31/74/1411863174.db2.gz JXYQYTRPEQSSCH-UHFFFAOYSA-N 0 3 387.430 3.000 20 30 GGEDHN C=CCn1c(C)cc(C(=O)CN2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000110991084 1411880885 /nfs/dbraw/zinc/88/08/85/1411880885.db2.gz REJYUAQWSAWGDL-RTBURBONSA-N 0 3 387.568 3.295 20 30 GGEDHN C=CCn1c(C)cc(C(=O)CN2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000110991081 1411881070 /nfs/dbraw/zinc/88/10/70/1411881070.db2.gz REJYUAQWSAWGDL-KDURUIRLSA-N 0 3 387.568 3.295 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1C1CC1 ZINC000177172448 1428613146 /nfs/dbraw/zinc/61/31/46/1428613146.db2.gz WJUOLDXOTIDXLS-OXJNMPFZSA-N 0 3 375.472 3.492 20 30 GGEDHN CCc1nc([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000111895015 1412044943 /nfs/dbraw/zinc/04/49/43/1412044943.db2.gz IKFYUVLDAZHVMO-OAHLLOKOSA-N 0 3 385.537 3.412 20 30 GGEDHN CCc1nc([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000111895016 1412045062 /nfs/dbraw/zinc/04/50/62/1412045062.db2.gz IKFYUVLDAZHVMO-HNNXBMFYSA-N 0 3 385.537 3.412 20 30 GGEDHN CCOc1ncc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1Cl ZINC000112279521 1412118493 /nfs/dbraw/zinc/11/84/93/1412118493.db2.gz BKLIMUKEASSXGP-UHFFFAOYSA-N 0 3 386.883 3.209 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(c2nnc3ccccn32)CC1 ZINC000112407699 1412142031 /nfs/dbraw/zinc/14/20/31/1412142031.db2.gz WZIOKLWYBLMMLB-HXUWFJFHSA-N 0 3 392.503 3.077 20 30 GGEDHN C[C@H](N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112533487 1412164604 /nfs/dbraw/zinc/16/46/04/1412164604.db2.gz TWXPTNOEMUMSEV-HOTGVXAUSA-N 0 3 396.466 3.489 20 30 GGEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)N(C)CCC#N ZINC000112533490 1412164717 /nfs/dbraw/zinc/16/47/17/1412164717.db2.gz TWXPTNOEMUMSEV-JKSUJKDBSA-N 0 3 396.466 3.489 20 30 GGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000112543925 1412166104 /nfs/dbraw/zinc/16/61/04/1412166104.db2.gz XEORFNWFJNKVDL-QGZVFWFLSA-N 0 3 386.496 3.266 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2ccco2)no1 ZINC000113141199 1412268390 /nfs/dbraw/zinc/26/83/90/1412268390.db2.gz LGTNNQCDZRCJTK-CYBMUJFWSA-N 0 3 394.387 3.008 20 30 GGEDHN C#CCOc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000113328393 1412293541 /nfs/dbraw/zinc/29/35/41/1412293541.db2.gz RGPXHKVKHZKDKJ-RTBURBONSA-N 0 3 392.499 3.238 20 30 GGEDHN Cc1ccc(COc2ccc(CNCCNC(=O)C3N=CC=CC3=O)cc2)cc1 ZINC000113360743 1412298189 /nfs/dbraw/zinc/29/81/89/1412298189.db2.gz QJCMAUKOOKVBAC-GHVJWSGMSA-N 0 3 391.471 3.190 20 30 GGEDHN N#CCOc1cccc(CNC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c1 ZINC000113409385 1412304077 /nfs/dbraw/zinc/30/40/77/1412304077.db2.gz QCBJMYPBFYVFPO-NRFANRHFSA-N 0 3 378.476 3.225 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cccc(OCC#N)c1 ZINC000113629934 1412324259 /nfs/dbraw/zinc/32/42/59/1412324259.db2.gz UWTNGTTZYUXXOZ-UHFFFAOYSA-N 0 3 384.455 3.001 20 30 GGEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000113980993 1412363351 /nfs/dbraw/zinc/36/33/51/1412363351.db2.gz OZPDCKSCHSNDHX-PZJWPPBQSA-N 0 3 380.492 3.470 20 30 GGEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1 ZINC000114032176 1412372732 /nfs/dbraw/zinc/37/27/32/1412372732.db2.gz KYWURAVZZRVYSD-GOSISDBHSA-N 0 3 380.492 3.099 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115029612 1412572476 /nfs/dbraw/zinc/57/24/76/1412572476.db2.gz FMZXSMGUKASTMF-QFIPXVFZSA-N 0 3 377.488 3.153 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)CC1 ZINC000115258138 1412623520 /nfs/dbraw/zinc/62/35/20/1412623520.db2.gz HTXAHMFXFDMMGT-HHHXNRCGSA-N 0 3 380.513 3.278 20 30 GGEDHN N#Cc1ccc([C@@H](NCC2(c3cccc(Cl)c3)CCOCC2)C(N)=O)cc1 ZINC000115598014 1412726075 /nfs/dbraw/zinc/72/60/75/1412726075.db2.gz LXUKJXCSBXOBMC-LJQANCHMSA-N 0 3 383.879 3.076 20 30 GGEDHN N#Cc1ccc([C@@H](NCC2(c3ccc4c(c3)OCO4)CCCCC2)C(N)=O)cc1 ZINC000115598205 1412727744 /nfs/dbraw/zinc/72/77/44/1412727744.db2.gz WGSOSCKFHXZIIX-OAQYLSRUSA-N 0 3 391.471 3.305 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(OC)c(NC(=O)C3CCCCC3)c2)CC1 ZINC000116037966 1412824223 /nfs/dbraw/zinc/82/42/23/1412824223.db2.gz CYYGEGHFZAKNTB-UHFFFAOYSA-N 0 3 397.519 3.498 20 30 GGEDHN C[C@@H](N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000177304459 1428680206 /nfs/dbraw/zinc/68/02/06/1428680206.db2.gz DSMADXQGQPOTIY-CVEARBPZSA-N 0 3 387.505 3.251 20 30 GGEDHN N#C[C@H](NC(=O)CCCN1CCN(c2ccccc2)CC1)c1ccccc1F ZINC000116748520 1412914646 /nfs/dbraw/zinc/91/46/46/1412914646.db2.gz YQXSRVSGWMMJNM-NRFANRHFSA-N 0 3 380.467 3.109 20 30 GGEDHN CNC(=O)[C@@H]1CCCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000116879352 1412947766 /nfs/dbraw/zinc/94/77/66/1412947766.db2.gz BARTXTCPZJSICE-HXUWFJFHSA-N 0 3 393.487 3.104 20 30 GGEDHN Cc1ccc(OC2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)cc1 ZINC000116994288 1412974599 /nfs/dbraw/zinc/97/45/99/1412974599.db2.gz INCYXEAZJYZEJF-HXUWFJFHSA-N 0 3 380.488 3.344 20 30 GGEDHN C=CCN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)Cc1cccc(C#N)c1 ZINC000117336950 1413027782 /nfs/dbraw/zinc/02/77/82/1413027782.db2.gz VATAAWXNYBNRTC-UHFFFAOYSA-N 0 3 392.415 3.453 20 30 GGEDHN CC1CCN([C@H](CNC(=O)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000118093309 1413107641 /nfs/dbraw/zinc/10/76/41/1413107641.db2.gz SSDGMTCYURNEIR-OAQYLSRUSA-N 0 3 390.487 3.086 20 30 GGEDHN CC1CCN([C@@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000118093324 1413107990 /nfs/dbraw/zinc/10/79/90/1413107990.db2.gz OPJFPSDNUGMMCM-NRFANRHFSA-N 0 3 390.487 3.086 20 30 GGEDHN N#CC1(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)CCCC1 ZINC000118746656 1413214945 /nfs/dbraw/zinc/21/49/45/1413214945.db2.gz VYMYILMEFHYUIN-UHFFFAOYSA-N 0 3 375.900 3.383 20 30 GGEDHN C=CCCO[C@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000118746933 1413215368 /nfs/dbraw/zinc/21/53/68/1413215368.db2.gz IOAFRBFORCUNKK-MRXNPFEDSA-N 0 3 380.916 3.281 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2)cc1 ZINC000119362893 1413424106 /nfs/dbraw/zinc/42/41/06/1413424106.db2.gz KQTWBWCGDRXRPA-IBGZPJMESA-N 0 3 384.407 3.019 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2F)c1 ZINC000119587999 1413495152 /nfs/dbraw/zinc/49/51/52/1413495152.db2.gz XGLJASJJGDQGPO-INIZCTEOSA-N 0 3 388.370 3.480 20 30 GGEDHN COC(=O)c1ccc(F)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000119609451 1413503001 /nfs/dbraw/zinc/50/30/01/1413503001.db2.gz UHLXLOYKXCNIMY-UHFFFAOYSA-N 0 3 398.438 3.080 20 30 GGEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000119657899 1413518676 /nfs/dbraw/zinc/51/86/76/1413518676.db2.gz NEYJAAUGFXUYJU-IBGZPJMESA-N 0 3 391.471 3.404 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000119661344 1413519998 /nfs/dbraw/zinc/51/99/98/1413519998.db2.gz GUSRCNBAFHCQRF-HXUWFJFHSA-N 0 3 378.472 3.431 20 30 GGEDHN N#Cc1ccc(Cl)cc1NC(=O)CN1CCCN(Cc2ccccc2)CC1 ZINC000119772539 1413563750 /nfs/dbraw/zinc/56/37/50/1413563750.db2.gz CLKLTOBITYUOJS-UHFFFAOYSA-N 0 3 382.895 3.358 20 30 GGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1cc(Cl)sc1Cl ZINC000119913264 1413614633 /nfs/dbraw/zinc/61/46/33/1413614633.db2.gz VQGPXMMXMDPOIV-NSHDSACASA-N 0 3 377.293 3.239 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(OC)ccc2OC(F)F)CC1 ZINC000119954189 1413630846 /nfs/dbraw/zinc/63/08/46/1413630846.db2.gz NZIKCBOIJXNPSQ-UHFFFAOYSA-N 0 3 383.439 3.136 20 30 GGEDHN C=CCOc1cccc(CN2CCC(CC(=O)N3CCN(CC)CC3)CC2)c1 ZINC000119992187 1413645453 /nfs/dbraw/zinc/64/54/53/1413645453.db2.gz QGGGTOXUWSYBHB-UHFFFAOYSA-N 0 3 385.552 3.018 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000120040217 1413664572 /nfs/dbraw/zinc/66/45/72/1413664572.db2.gz YVJFMIRPNANPTR-UHFFFAOYSA-N 0 3 379.489 3.214 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2c(F)cccc2F)cc1 ZINC000120076812 1413677800 /nfs/dbraw/zinc/67/78/00/1413677800.db2.gz GKHKSAVKRXPSGX-HNNXBMFYSA-N 0 3 386.354 3.032 20 30 GGEDHN C#CCN1CCC(C(=O)NC[C@@H](CC)Oc2ccccc2C(F)(F)F)CC1 ZINC000177464432 1428748718 /nfs/dbraw/zinc/74/87/18/1428748718.db2.gz IQDHVMBHUYNAKS-MRXNPFEDSA-N 0 3 382.426 3.324 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C ZINC000120271920 1413762296 /nfs/dbraw/zinc/76/22/96/1413762296.db2.gz MHHPWRRXAXECGN-HXUWFJFHSA-N 0 3 382.508 3.230 20 30 GGEDHN CC(=O)CCc1ccc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000120380872 1413806099 /nfs/dbraw/zinc/80/60/99/1413806099.db2.gz AAOIYSBMWJUXSI-OXQOHEQNSA-N 0 3 378.428 3.323 20 30 GGEDHN CC(=O)CCc1ccc(O[C@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000120381183 1413806192 /nfs/dbraw/zinc/80/61/92/1413806192.db2.gz AAOIYSBMWJUXSI-UZLBHIALSA-N 0 3 378.428 3.323 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(F)c(C#N)c2)C(C)C)cc1 ZINC000120415584 1413812709 /nfs/dbraw/zinc/81/27/09/1413812709.db2.gz RYUUFZNFDUPVCI-HXUWFJFHSA-N 0 3 399.466 3.306 20 30 GGEDHN CCN1CCN(CCNC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000120469322 1413824802 /nfs/dbraw/zinc/82/48/02/1413824802.db2.gz ZGCAWNHRVIKDFE-UHFFFAOYSA-N 0 3 394.544 3.077 20 30 GGEDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cnn1C1CCCC1 ZINC000120505747 1413832460 /nfs/dbraw/zinc/83/24/60/1413832460.db2.gz JMQCNIKLTGCAGP-UHFFFAOYSA-N 0 3 379.508 3.382 20 30 GGEDHN COc1cc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000120621171 1413857864 /nfs/dbraw/zinc/85/78/64/1413857864.db2.gz DCTSFTFMEAVWOM-UHFFFAOYSA-N 0 3 394.519 3.191 20 30 GGEDHN C#CCOc1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000120681795 1413873325 /nfs/dbraw/zinc/87/33/25/1413873325.db2.gz XWUJQAFBUCJQQD-UHFFFAOYSA-N 0 3 378.472 3.155 20 30 GGEDHN CC(C)c1ncc(Cl)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000120939973 1413954181 /nfs/dbraw/zinc/95/41/81/1413954181.db2.gz VDXFUXIPUSWFPZ-UHFFFAOYSA-N 0 3 385.899 3.329 20 30 GGEDHN Cc1ccc2c(c1)[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CO2 ZINC000121026335 1413980743 /nfs/dbraw/zinc/98/07/43/1413980743.db2.gz YPZNSBOXYWGDIP-FQEVSTJZSA-N 0 3 378.476 3.074 20 30 GGEDHN CCc1nnc(NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)c(C#N)c1CC ZINC000121097049 1414006687 /nfs/dbraw/zinc/00/66/87/1414006687.db2.gz ZQMUMBUMIGEDPA-SFHVURJKSA-N 0 3 383.496 3.205 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000121178671 1414035033 /nfs/dbraw/zinc/03/50/33/1414035033.db2.gz AEQBKNYQPBFNCR-QFIPXVFZSA-N 0 3 385.552 3.499 20 30 GGEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)CC2(N3CCOCC3)CCCC2)c1 ZINC000121220590 1414047970 /nfs/dbraw/zinc/04/79/70/1414047970.db2.gz OLSSLJSWHAGUSN-IBGZPJMESA-N 0 3 385.508 3.019 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccc(F)cc2)cc1 ZINC000121301610 1414077206 /nfs/dbraw/zinc/07/72/06/1414077206.db2.gz NOACMGUXYCZSAM-LJQANCHMSA-N 0 3 395.434 3.246 20 30 GGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000121450243 1414128132 /nfs/dbraw/zinc/12/81/32/1414128132.db2.gz RXZPEWWLQIYAHU-ARFHVFGLSA-N 0 3 380.366 3.456 20 30 GGEDHN N#Cc1ccc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000121657183 1414214169 /nfs/dbraw/zinc/21/41/69/1414214169.db2.gz SKNZJEPKVILMIU-UHFFFAOYSA-N 0 3 384.379 3.020 20 30 GGEDHN Cc1oc(NC(=O)CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)c(C#N)c1C ZINC000121859809 1414281406 /nfs/dbraw/zinc/28/14/06/1414281406.db2.gz BQNFNZZUNXKFOB-FQEVSTJZSA-N 0 3 392.500 3.236 20 30 GGEDHN C[C@@H](CCc1ccc(O)cc1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000121883498 1414290261 /nfs/dbraw/zinc/29/02/61/1414290261.db2.gz WDOBEUFJWASDFR-SFHVURJKSA-N 0 3 394.519 3.358 20 30 GGEDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000121900363 1414299367 /nfs/dbraw/zinc/29/93/67/1414299367.db2.gz WNYKUMWWLVRUAO-IUODEOHRSA-N 0 3 380.473 3.409 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000122068303 1414354485 /nfs/dbraw/zinc/35/44/85/1414354485.db2.gz DKFSBKRURFYLCD-UHFFFAOYSA-N 0 3 379.357 3.319 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nc(-c2cccs2)no1 ZINC000122193364 1414384859 /nfs/dbraw/zinc/38/48/59/1414384859.db2.gz GCKBGKQJSHHZOP-LBPRGKRZSA-N 0 3 377.429 3.494 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000122284446 1414411719 /nfs/dbraw/zinc/41/17/19/1414411719.db2.gz BNZOCDLWCLXUQO-HKUYNNGSSA-N 0 3 398.507 3.110 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)COc3ccc(C#N)cc3)c2)CC1 ZINC000122335251 1414427167 /nfs/dbraw/zinc/42/71/67/1414427167.db2.gz PKQQZQSTGWWRDN-UHFFFAOYSA-N 0 3 378.476 3.106 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000177601056 1428807514 /nfs/dbraw/zinc/80/75/14/1428807514.db2.gz VXRFXPRNSUABNW-CZUORRHYSA-N 0 3 382.391 3.391 20 30 GGEDHN CC(C)c1nnc(CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000177601578 1428808072 /nfs/dbraw/zinc/80/80/72/1428808072.db2.gz KMYJFDKOWDKJPC-LLVKDONJSA-N 0 3 378.791 3.266 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2F)CC1 ZINC000122394334 1414445467 /nfs/dbraw/zinc/44/54/67/1414445467.db2.gz XVJQRZAJZMJKHG-UHFFFAOYSA-N 0 3 395.482 3.094 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000122500016 1414483022 /nfs/dbraw/zinc/48/30/22/1414483022.db2.gz OEKDVUZDGYBJHF-IRLDBZIGSA-N 0 3 395.528 3.233 20 30 GGEDHN CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177630638 1428816501 /nfs/dbraw/zinc/81/65/01/1428816501.db2.gz XFVZULXSCHEYFP-UHFFFAOYSA-N 0 3 389.443 3.118 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccnc1 ZINC000122758137 1414557535 /nfs/dbraw/zinc/55/75/35/1414557535.db2.gz WUWVLBGBTDTPND-CYBMUJFWSA-N 0 3 384.490 3.094 20 30 GGEDHN COCCOc1cccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000122807312 1414570030 /nfs/dbraw/zinc/57/00/30/1414570030.db2.gz GUYLSSPVNDXTBQ-UHFFFAOYSA-N 0 3 379.504 3.291 20 30 GGEDHN COCCOc1ccccc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000122830593 1414575881 /nfs/dbraw/zinc/57/58/81/1414575881.db2.gz DQOUBQDYKSACOV-UHFFFAOYSA-N 0 3 379.504 3.291 20 30 GGEDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000177645015 1428821659 /nfs/dbraw/zinc/82/16/59/1428821659.db2.gz FNXFFJSEKOLYMX-UHFFFAOYSA-N 0 3 389.443 3.072 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000123032520 1414623757 /nfs/dbraw/zinc/62/37/57/1414623757.db2.gz XTTXVNCHKGWTQQ-INIZCTEOSA-N 0 3 386.371 3.157 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000123197061 1414665755 /nfs/dbraw/zinc/66/57/55/1414665755.db2.gz SJIPWKUVDJHSIT-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN N#Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000123350009 1414703457 /nfs/dbraw/zinc/70/34/57/1414703457.db2.gz QKHWHNFHCDMBTE-FQEVSTJZSA-N 0 3 399.878 3.301 20 30 GGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000123704624 1414812797 /nfs/dbraw/zinc/81/27/97/1414812797.db2.gz IGJAZSXEDVNAOS-HXUWFJFHSA-N 0 3 393.535 3.238 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000177718126 1428841774 /nfs/dbraw/zinc/84/17/74/1428841774.db2.gz MZAHCURVKXIIMV-MRXNPFEDSA-N 0 3 397.797 3.080 20 30 GGEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123941134 1414854481 /nfs/dbraw/zinc/85/44/81/1414854481.db2.gz WDHUXRHSAJRMKF-LJQANCHMSA-N 0 3 389.499 3.016 20 30 GGEDHN COc1ccc(C(F)(F)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000123951370 1414856089 /nfs/dbraw/zinc/85/60/89/1414856089.db2.gz ISCNNINLLLICNY-UHFFFAOYSA-N 0 3 387.430 3.249 20 30 GGEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000124071967 1414880452 /nfs/dbraw/zinc/88/04/52/1414880452.db2.gz RHLCFFRXARNAAN-LBPRGKRZSA-N 0 3 390.802 3.410 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nccn1C(C)(C)C ZINC000124347543 1414945904 /nfs/dbraw/zinc/94/59/04/1414945904.db2.gz RVMIQDOQFYQXCK-UHFFFAOYSA-N 0 3 399.564 3.192 20 30 GGEDHN COc1ccc(C(=O)C(C#N)c2nc(C(C)C)cs2)cc1N1CCNC1=O ZINC000177761576 1428852228 /nfs/dbraw/zinc/85/22/28/1428852228.db2.gz YNZMLOGWFIJLPV-CYBMUJFWSA-N 0 3 384.461 3.295 20 30 GGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000177766716 1428853568 /nfs/dbraw/zinc/85/35/68/1428853568.db2.gz FVABOWZCSKYGLT-OAHLLOKOSA-N 0 3 389.502 3.296 20 30 GGEDHN CN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCN(CCc2ccccn2)CC1 ZINC000124671052 1415018114 /nfs/dbraw/zinc/01/81/14/1415018114.db2.gz QAJQETXMSZZBIN-UHFFFAOYSA-N 0 3 382.895 3.386 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccccn1 ZINC000124805838 1415048369 /nfs/dbraw/zinc/04/83/69/1415048369.db2.gz UMIWHWQFVNCCKV-ZDUSSCGKSA-N 0 3 396.501 3.260 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccccn1 ZINC000124806014 1415048743 /nfs/dbraw/zinc/04/87/43/1415048743.db2.gz UMIWHWQFVNCCKV-CYBMUJFWSA-N 0 3 396.501 3.260 20 30 GGEDHN Cc1cc(NC(=O)c2ccco2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125188213 1415126388 /nfs/dbraw/zinc/12/63/88/1415126388.db2.gz FNJXDHODEVSJDL-LBPRGKRZSA-N 0 3 394.412 3.258 20 30 GGEDHN COc1c(F)cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000125211407 1415131468 /nfs/dbraw/zinc/13/14/68/1415131468.db2.gz FLPKQWFPLAFNFI-UHFFFAOYSA-N 0 3 388.418 3.441 20 30 GGEDHN Cc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000125234555 1415135801 /nfs/dbraw/zinc/13/58/01/1415135801.db2.gz NPTXYGKEBITSTM-KRWDZBQOSA-N 0 3 385.427 3.026 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000125344791 1415170197 /nfs/dbraw/zinc/17/01/97/1415170197.db2.gz KJUXBDUUCKWGRQ-UHFFFAOYSA-N 0 3 386.525 3.303 20 30 GGEDHN Cc1ccc(-c2noc(CCC(=O)C(C#N)C(=O)NC3CCCCC3)n2)cc1F ZINC000125509438 1415216802 /nfs/dbraw/zinc/21/68/02/1415216802.db2.gz VVXSGAXLKMMEJH-MRXNPFEDSA-N 0 3 398.438 3.275 20 30 GGEDHN Cc1cccc(-c2nc(CC(=O)C(C#N)C(=O)NCCCOC(C)C)cs2)c1 ZINC000125515543 1415218483 /nfs/dbraw/zinc/21/84/83/1415218483.db2.gz IVYVSLXLYLEWQD-GOSISDBHSA-N 0 3 399.516 3.301 20 30 GGEDHN Cc1ccc(Cl)c(O[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000125537390 1415222263 /nfs/dbraw/zinc/22/22/63/1415222263.db2.gz SQXSQRSPGRLEFP-LSDHHAIUSA-N 0 3 380.872 3.056 20 30 GGEDHN Cc1ccc(Cl)c(O[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000125537639 1415222279 /nfs/dbraw/zinc/22/22/79/1415222279.db2.gz SQXSQRSPGRLEFP-HUUCEWRRSA-N 0 3 380.872 3.056 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)Cc1cccc(OCC#N)c1 ZINC000125648657 1415245914 /nfs/dbraw/zinc/24/59/14/1415245914.db2.gz OHAHPOJRQHJWIT-UHFFFAOYSA-N 0 3 387.430 3.000 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(OCCc3ccccc3)CC2)cc1 ZINC000125722964 1415262403 /nfs/dbraw/zinc/26/24/03/1415262403.db2.gz IJEDATCFHNZSNA-NRFANRHFSA-N 0 3 380.488 3.022 20 30 GGEDHN C#CCNC(=O)[C@@H](C)N[C@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000126425257 1415449248 /nfs/dbraw/zinc/44/92/48/1415449248.db2.gz DVQUMTJBOVPUJN-YLJYHZDGSA-N 0 3 380.488 3.024 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000126612516 1415507221 /nfs/dbraw/zinc/50/72/21/1415507221.db2.gz YGPZLRLXKVNCCY-NRFANRHFSA-N 0 3 392.503 3.389 20 30 GGEDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126722103 1415539778 /nfs/dbraw/zinc/53/97/78/1415539778.db2.gz XRKPJPYAPHYESD-SUMWQHHRSA-N 0 3 383.429 3.101 20 30 GGEDHN N#CC(C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 ZINC000126895003 1415598014 /nfs/dbraw/zinc/59/80/14/1415598014.db2.gz LUXGKKZZHJFLRO-AWEZNQCLSA-N 0 3 377.227 3.397 20 30 GGEDHN COc1ccc(C(=O)CCCC(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126980890 1415625177 /nfs/dbraw/zinc/62/51/77/1415625177.db2.gz QRMOJTMDRMIOMJ-IBGZPJMESA-N 0 3 378.428 3.073 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000127021525 1415641684 /nfs/dbraw/zinc/64/16/84/1415641684.db2.gz JKWYQLFWMPCPDM-IBGZPJMESA-N 0 3 392.503 3.395 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000127086740 1415658054 /nfs/dbraw/zinc/65/80/54/1415658054.db2.gz CMPVAJSQIJOCBE-CQSZACIVSA-N 0 3 396.428 3.087 20 30 GGEDHN Cc1ccc(CNC(=O)C2CCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1F ZINC000127096749 1415659801 /nfs/dbraw/zinc/65/98/01/1415659801.db2.gz UXFLWARBANOUQF-JOCHJYFZSA-N 0 3 395.478 3.068 20 30 GGEDHN C[NH+](C)CC1CCN(c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)CC1 ZINC000127342050 1415744834 /nfs/dbraw/zinc/74/48/34/1415744834.db2.gz POYHTLQUWZTNTA-UHFFFAOYSA-N 0 3 398.532 3.137 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000127601754 1415817434 /nfs/dbraw/zinc/81/74/34/1415817434.db2.gz IYBOKWXXKCCXMS-HNNXBMFYSA-N 0 3 380.429 3.387 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccccc2Cl)n1 ZINC000127665023 1415829149 /nfs/dbraw/zinc/82/91/49/1415829149.db2.gz KQRNCQRYXJWZSZ-CYBMUJFWSA-N 0 3 394.818 3.495 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000127706318 1415836722 /nfs/dbraw/zinc/83/67/22/1415836722.db2.gz OGDBDYLPDSVJGQ-SFHVURJKSA-N 0 3 380.404 3.443 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000127734798 1415841353 /nfs/dbraw/zinc/84/13/53/1415841353.db2.gz KQCMYLUUKTYJOJ-HNNXBMFYSA-N 0 3 380.429 3.387 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000127735021 1415841360 /nfs/dbraw/zinc/84/13/60/1415841360.db2.gz KQCMYLUUKTYJOJ-OAHLLOKOSA-N 0 3 380.429 3.387 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 ZINC000127872199 1415867567 /nfs/dbraw/zinc/86/75/67/1415867567.db2.gz UZMYAYXUFVGOOK-KRWDZBQOSA-N 0 3 383.835 3.198 20 30 GGEDHN COc1ccc(-c2noc(CCC(=O)C(C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000128155235 1415926737 /nfs/dbraw/zinc/92/67/37/1415926737.db2.gz VDCDZMWRRKGBMV-KRWDZBQOSA-N 0 3 390.399 3.025 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccccc2)cc1 ZINC000128424289 1415983846 /nfs/dbraw/zinc/98/38/46/1415983846.db2.gz MSIHSOXSNKJOMO-LJQANCHMSA-N 0 3 377.444 3.107 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccccc2)cc1 ZINC000128424028 1415983964 /nfs/dbraw/zinc/98/39/64/1415983964.db2.gz MSIHSOXSNKJOMO-IBGZPJMESA-N 0 3 377.444 3.107 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000128430805 1415985267 /nfs/dbraw/zinc/98/52/67/1415985267.db2.gz NGYJAARVQJTOIB-KRWDZBQOSA-N 0 3 383.473 3.168 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccsc2)cc1 ZINC000128431032 1415985420 /nfs/dbraw/zinc/98/54/20/1415985420.db2.gz NGYJAARVQJTOIB-QGZVFWFLSA-N 0 3 383.473 3.168 20 30 GGEDHN [O-]c1ccc(Br)cc1/C=N/C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000128479634 1415996796 /nfs/dbraw/zinc/99/67/96/1415996796.db2.gz FGTAVAMEHNZQIK-SEUFLYEGSA-N 0 3 381.314 3.342 20 30 GGEDHN CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCCN1CCc2ccccc2C1 ZINC000128611126 1416025419 /nfs/dbraw/zinc/02/54/19/1416025419.db2.gz PBKVUVJFNHIBRD-UHFFFAOYSA-N 0 3 377.488 3.280 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1cn(Cc2ccccc2)nn1 ZINC000128757097 1416060281 /nfs/dbraw/zinc/06/02/81/1416060281.db2.gz IULMZSNUUJACJU-LJQANCHMSA-N 0 3 395.422 3.441 20 30 GGEDHN N#CC(C(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc21 ZINC000128809389 1416074154 /nfs/dbraw/zinc/07/41/54/1416074154.db2.gz XJWSBWCKXFGWIO-SFHVURJKSA-N 0 3 389.367 3.474 20 30 GGEDHN C[C@@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)CCN1Cc1ccccc1 ZINC000128948601 1416110598 /nfs/dbraw/zinc/11/05/98/1416110598.db2.gz FDRNYMGEGSQOQQ-LJQANCHMSA-N 0 3 377.488 3.254 20 30 GGEDHN C[C@H]1CCN(C(=O)Cc2cccc(OCC#N)c2)CCN1Cc1ccccc1 ZINC000128948792 1416111547 /nfs/dbraw/zinc/11/15/47/1416111547.db2.gz FDRNYMGEGSQOQQ-IBGZPJMESA-N 0 3 377.488 3.254 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000128976423 1416117822 /nfs/dbraw/zinc/11/78/22/1416117822.db2.gz RSFPJYDUHYAYGH-CYBMUJFWSA-N 0 3 382.445 3.303 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000129035416 1416130412 /nfs/dbraw/zinc/13/04/12/1416130412.db2.gz DWJFXQKSYFUERI-INIZCTEOSA-N 0 3 392.390 3.371 20 30 GGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000129063166 1416136173 /nfs/dbraw/zinc/13/61/73/1416136173.db2.gz SHYVVMGJPRJAQI-SFHVURJKSA-N 0 3 377.488 3.449 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C#N)c1C)c1ccccc1 ZINC000178409535 1429072704 /nfs/dbraw/zinc/07/27/04/1429072704.db2.gz UMCCCOULUQZDPY-FQEVSTJZSA-N 0 3 378.476 3.005 20 30 GGEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000129455094 1416212552 /nfs/dbraw/zinc/21/25/52/1416212552.db2.gz JZXZBFWBQWUMJD-HNNXBMFYSA-N 0 3 384.457 3.498 20 30 GGEDHN C=CCNc1ncc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000129676736 1416247006 /nfs/dbraw/zinc/24/70/06/1416247006.db2.gz RABDUFUIIAWDSY-HZPDHXFCSA-N 0 3 392.569 3.093 20 30 GGEDHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cn1 ZINC000129770695 1416261398 /nfs/dbraw/zinc/26/13/98/1416261398.db2.gz ZJGIMSNPNREERC-LJQANCHMSA-N 0 3 386.459 3.158 20 30 GGEDHN N#CC(C(=O)CCOC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129782487 1416262972 /nfs/dbraw/zinc/26/29/72/1416262972.db2.gz RFKTURJTNNFLEX-QWHCGFSZSA-N 0 3 385.247 3.226 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000129883688 1416279751 /nfs/dbraw/zinc/27/97/51/1416279751.db2.gz WJSUBNYMDNBJAA-CYBMUJFWSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000129908431 1416283141 /nfs/dbraw/zinc/28/31/41/1416283141.db2.gz XXYOFJWNCAYDKW-INIZCTEOSA-N 0 3 392.390 3.290 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccc2c(c1)OCO2 ZINC000130000792 1416300236 /nfs/dbraw/zinc/30/02/36/1416300236.db2.gz WUKKBBIQGSEBLZ-HNNXBMFYSA-N 0 3 377.400 3.337 20 30 GGEDHN CC(=O)c1cccc(OCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000130139720 1416325323 /nfs/dbraw/zinc/32/53/23/1416325323.db2.gz YUEQOYKIKGRDRW-OAHLLOKOSA-N 0 3 388.782 3.408 20 30 GGEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000178500755 1429091887 /nfs/dbraw/zinc/09/18/87/1429091887.db2.gz FGEIMYTYXHAXIN-UHFFFAOYSA-N 0 3 389.908 3.286 20 30 GGEDHN N#CC(C(=O)CCOC[C@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130500353 1416389621 /nfs/dbraw/zinc/38/96/21/1416389621.db2.gz XHZLCBNMFHMZEW-CABCVRRESA-N 0 3 385.247 3.226 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)CC1 ZINC000130561178 1416398952 /nfs/dbraw/zinc/39/89/52/1416398952.db2.gz BZCHZMWOMSZGDA-UHFFFAOYSA-N 0 3 393.491 3.020 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1 ZINC000130643391 1416416162 /nfs/dbraw/zinc/41/61/62/1416416162.db2.gz RYUVUYWSUNZVQA-UHFFFAOYSA-N 0 3 387.509 3.376 20 30 GGEDHN Cc1nccn1CCCN(C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000130661815 1416419786 /nfs/dbraw/zinc/41/97/86/1416419786.db2.gz VLWRWVUGPLZKLS-INIZCTEOSA-N 0 3 385.537 3.404 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000178525810 1429096870 /nfs/dbraw/zinc/09/68/70/1429096870.db2.gz YSJFSZRBKBDKFK-IBGZPJMESA-N 0 3 387.524 3.409 20 30 GGEDHN CC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)CCC#N)cc1 ZINC000131044626 1416500618 /nfs/dbraw/zinc/50/06/18/1416500618.db2.gz IQQCKWFLPMXCII-LJQANCHMSA-N 0 3 385.533 3.379 20 30 GGEDHN CCN(CC)c1ccc(/C=N/CC(=O)Nc2ccc(-n3cccn3)cc2)c(O)c1 ZINC000131219702 1416525167 /nfs/dbraw/zinc/52/51/67/1416525167.db2.gz CXQJRUYJFOZNSX-HZHRSRAPSA-N 0 3 391.475 3.482 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H](Cc3nccn3C)C2)cc1C ZINC000131292731 1416535870 /nfs/dbraw/zinc/53/58/70/1416535870.db2.gz PAACQKJSFURRIZ-HXUWFJFHSA-N 0 3 393.535 3.238 20 30 GGEDHN Cn1ccnc1C[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131305904 1416537876 /nfs/dbraw/zinc/53/78/76/1416537876.db2.gz AZNSNGAYGAWRSX-KRWDZBQOSA-N 0 3 399.926 3.275 20 30 GGEDHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000178564694 1429107845 /nfs/dbraw/zinc/10/78/45/1429107845.db2.gz NIDADYOWHCPPPO-UHFFFAOYSA-N 0 3 391.519 3.326 20 30 GGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC000131580073 1416579139 /nfs/dbraw/zinc/57/91/39/1416579139.db2.gz BJMUCVYFEDTCHC-ZENOOKHLSA-N 0 3 385.493 3.157 20 30 GGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2ccc(F)cc2F)s1 ZINC000132046458 1416682272 /nfs/dbraw/zinc/68/22/72/1416682272.db2.gz OTSZUUWAPUPVBF-UHFFFAOYSA-N 0 3 380.464 3.223 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCCc2ccc(OC)c(OCC)c2)CC1 ZINC000132213951 1416718499 /nfs/dbraw/zinc/71/84/99/1416718499.db2.gz JWODPMMFPMHNLM-UHFFFAOYSA-N 0 3 389.540 3.366 20 30 GGEDHN CC(C)Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc(=O)[nH]1 ZINC000133168973 1416860102 /nfs/dbraw/zinc/86/01/02/1416860102.db2.gz WNCUEZFTNPRIAB-UHFFFAOYSA-N 0 3 380.492 3.061 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccc(C)cc2C)cc1 ZINC000133455521 1416891651 /nfs/dbraw/zinc/89/16/51/1416891651.db2.gz GGBGVDPDFBDCKY-HXUWFJFHSA-N 0 3 394.471 3.496 20 30 GGEDHN CC(C)Cc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(=O)[nH]1 ZINC000133501344 1416895822 /nfs/dbraw/zinc/89/58/22/1416895822.db2.gz HWXSCOGVMNNTNX-UHFFFAOYSA-N 0 3 380.492 3.061 20 30 GGEDHN C#CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133792529 1416964140 /nfs/dbraw/zinc/96/41/40/1416964140.db2.gz DHZPEWQJUSDRET-IRXDYDNUSA-N 0 3 386.517 3.361 20 30 GGEDHN Cc1cccc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000133912564 1416993888 /nfs/dbraw/zinc/99/38/88/1416993888.db2.gz VZVJZLQTMWYQFK-IBGZPJMESA-N 0 3 383.517 3.009 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000134175376 1417033349 /nfs/dbraw/zinc/03/33/49/1417033349.db2.gz UHUKDHIBNWKFSI-MRXNPFEDSA-N 0 3 383.496 3.180 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000134973328 1417155408 /nfs/dbraw/zinc/15/54/08/1417155408.db2.gz TUZHHTVESASQNT-HNNXBMFYSA-N 0 3 388.855 3.338 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135277878 1417201109 /nfs/dbraw/zinc/20/11/09/1417201109.db2.gz JGTNRYJUMXYXOS-UHFFFAOYSA-N 0 3 388.418 3.463 20 30 GGEDHN CO[C@H](C)c1noc(CN2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)n1 ZINC000135276111 1417201162 /nfs/dbraw/zinc/20/11/62/1417201162.db2.gz OIEYETXRMBYUOM-QGZVFWFLSA-N 0 3 397.523 3.286 20 30 GGEDHN N#CCOc1cc(F)ccc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000135322182 1417207164 /nfs/dbraw/zinc/20/71/64/1417207164.db2.gz SIOFSOHGLOOUKS-UHFFFAOYSA-N 0 3 382.439 3.298 20 30 GGEDHN N#CC(C(=O)CCc1cc(Br)ccc1F)C(=O)NC1CCCC1 ZINC000136883061 1417352607 /nfs/dbraw/zinc/35/26/07/1417352607.db2.gz SFIFIZJYYQAMFA-AWEZNQCLSA-N 0 3 381.245 3.288 20 30 GGEDHN Cc1nc(C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000178812813 1429178183 /nfs/dbraw/zinc/17/81/83/1429178183.db2.gz QUKKAVTUPQDXBR-LJQANCHMSA-N 0 3 386.459 3.158 20 30 GGEDHN N#CC(C(=O)CCc1cc(Br)ccc1F)C(=O)Nc1ccccn1 ZINC000137226269 1417376297 /nfs/dbraw/zinc/37/62/97/1417376297.db2.gz VZXIWPQHFLQHIB-CYBMUJFWSA-N 0 3 390.212 3.263 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(C(C)=O)c2)c1 ZINC000138659044 1417432531 /nfs/dbraw/zinc/43/25/31/1417432531.db2.gz YWGAGFDUBOMSEO-HXUWFJFHSA-N 0 3 394.427 3.404 20 30 GGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151024988 1417857822 /nfs/dbraw/zinc/85/78/22/1417857822.db2.gz ALXMQVQIRPSRPI-UHFFFAOYSA-N 0 3 395.525 3.292 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nnc3ccccn32)C1 ZINC000151061484 1417864817 /nfs/dbraw/zinc/86/48/17/1417864817.db2.gz RKUSDEIDITVZLD-PMACEKPBSA-N 0 3 392.503 3.077 20 30 GGEDHN CCCCc1ccc(NC(=O)C(C#N)C(=O)COc2c(C)nn(C)c2C)cc1 ZINC000151192284 1417891120 /nfs/dbraw/zinc/89/11/20/1417891120.db2.gz YIDLTKOUDQECHH-SFHVURJKSA-N 0 3 382.464 3.106 20 30 GGEDHN C[C@@H]1CN(C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC000178920979 1429220479 /nfs/dbraw/zinc/22/04/79/1429220479.db2.gz MSTLKODLEUFNQR-MRXNPFEDSA-N 0 3 382.426 3.122 20 30 GGEDHN Cc1noc(C)c1[C@@H](C)CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000151559245 1418024421 /nfs/dbraw/zinc/02/44/21/1418024421.db2.gz POPWVNPUOCQIOM-HNNXBMFYSA-N 0 3 383.496 3.040 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)CNc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000151570171 1418028240 /nfs/dbraw/zinc/02/82/40/1418028240.db2.gz QQFGQTDIXUOFAG-NRFANRHFSA-N 0 3 380.492 3.178 20 30 GGEDHN N#CC(C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1)c1nnc2n1CCCCC2 ZINC000151735022 1418074880 /nfs/dbraw/zinc/07/48/80/1418074880.db2.gz QEZOQJXRHNVRST-LJQANCHMSA-N 0 3 399.454 3.491 20 30 GGEDHN Cc1ccccc1CN1CCCN(C(=O)COc2cccc(F)c2C#N)CC1 ZINC000178995097 1429236956 /nfs/dbraw/zinc/23/69/56/1429236956.db2.gz PJSHDPJJWLPOHK-UHFFFAOYSA-N 0 3 381.451 3.119 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000179019589 1429244075 /nfs/dbraw/zinc/24/40/75/1429244075.db2.gz APINHFXEPUCMHV-QGZVFWFLSA-N 0 3 384.505 3.070 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1cccnc1)c1nc2ccccc2n1C(F)F ZINC000179115053 1429267819 /nfs/dbraw/zinc/26/78/19/1429267819.db2.gz LGYJWZUGEKRHJN-CQSZACIVSA-N 0 3 397.385 3.213 20 30 GGEDHN COc1ccc(C[C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000179174465 1429285861 /nfs/dbraw/zinc/28/58/61/1429285861.db2.gz SASMUJTVRBXYTF-GOSISDBHSA-N 0 3 379.504 3.336 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000179340724 1429335540 /nfs/dbraw/zinc/33/55/40/1429335540.db2.gz BGYFWAQRTKQADJ-HNNXBMFYSA-N 0 3 380.895 3.007 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(OCC(F)F)n1 ZINC000179341596 1429335904 /nfs/dbraw/zinc/33/59/04/1429335904.db2.gz KOFHXVTUMXOWKD-LBPRGKRZSA-N 0 3 379.750 3.340 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)CC1 ZINC000179550809 1429425698 /nfs/dbraw/zinc/42/56/98/1429425698.db2.gz SKDDROJBBWEOLB-UHFFFAOYSA-N 0 3 392.503 3.389 20 30 GGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 ZINC000179671270 1429500110 /nfs/dbraw/zinc/50/01/10/1429500110.db2.gz IGMVGKWGLUHBNN-AZUAARDMSA-N 0 3 396.560 3.425 20 30 GGEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)C2CC2)CC1 ZINC000179698158 1429511639 /nfs/dbraw/zinc/51/16/39/1429511639.db2.gz NPSBRARTOHPWHS-UGKGYDQZSA-N 0 3 394.544 3.198 20 30 GGEDHN C=CCc1cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc(OC)c1O ZINC000179738248 1429530626 /nfs/dbraw/zinc/53/06/26/1429530626.db2.gz QJMPPTINIVGDCK-OAHLLOKOSA-N 0 3 376.497 3.476 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179754334 1429540631 /nfs/dbraw/zinc/54/06/31/1429540631.db2.gz QHKMYMZNCYXRED-HXUWFJFHSA-N 0 3 385.895 3.226 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2c(F)cccc2F)cc1OC ZINC000153325421 1422469801 /nfs/dbraw/zinc/46/98/01/1422469801.db2.gz HDPZGDUCVBZQJL-WCQYABFASA-N 0 3 388.370 3.433 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000153422716 1422527785 /nfs/dbraw/zinc/52/77/85/1422527785.db2.gz VOIIWHACELHHBN-MSOLQXFVSA-N 0 3 394.560 3.162 20 30 GGEDHN CC(=O)OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000153455170 1422545899 /nfs/dbraw/zinc/54/58/99/1422545899.db2.gz SNNIBUSZLXOQTK-CYBMUJFWSA-N 0 3 389.521 3.101 20 30 GGEDHN N#CC(C(=O)CN(Cc1ccccc1)c1ccccc1)C(=O)NC1CCCC1 ZINC000179799886 1429573306 /nfs/dbraw/zinc/57/33/06/1429573306.db2.gz JYRRTGKJVSUPNO-OAQYLSRUSA-N 0 3 375.472 3.461 20 30 GGEDHN C=CCn1c(-c2cccc(OC)c2)nn(CN2CCN(CC3CC3)CC2)c1=S ZINC000153602081 1422641580 /nfs/dbraw/zinc/64/15/80/1422641580.db2.gz MBYGSHVPWAGGQQ-UHFFFAOYSA-N 0 3 399.564 3.261 20 30 GGEDHN C=CCn1c(Cc2ccccc2)nn(CN2CCN(C)C[C@@H]2C(C)C)c1=S ZINC000153627183 1422658499 /nfs/dbraw/zinc/65/84/99/1422658499.db2.gz KKNCQBALAKGNEQ-LJQANCHMSA-N 0 3 385.581 3.420 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000154186666 1422852111 /nfs/dbraw/zinc/85/21/11/1422852111.db2.gz KNMKRPVGAQQUFI-UHFFFAOYSA-N 0 3 394.560 3.162 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000154380012 1422881282 /nfs/dbraw/zinc/88/12/82/1422881282.db2.gz ARSQVIOZCJQYJR-IBGZPJMESA-N 0 3 398.894 3.349 20 30 GGEDHN COc1ccc(C[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000155117352 1423176146 /nfs/dbraw/zinc/17/61/46/1423176146.db2.gz WJGVUYKVYXFRKI-GOSISDBHSA-N 0 3 379.504 3.336 20 30 GGEDHN Cn1cc(CN2CCC(NC(=O)c3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000179896349 1429629327 /nfs/dbraw/zinc/62/93/27/1429629327.db2.gz DUGSZLJZKIOMNS-UHFFFAOYSA-N 0 3 399.498 3.353 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000155416100 1423355735 /nfs/dbraw/zinc/35/57/35/1423355735.db2.gz FWWJXCBWNLOYQZ-UHFFFAOYSA-N 0 3 376.382 3.175 20 30 GGEDHN N#Cc1ccc([C@H](O)CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 ZINC000155433902 1423362366 /nfs/dbraw/zinc/36/23/66/1423362366.db2.gz KVAHAKCWMKLZJM-JOCHJYFZSA-N 0 3 375.472 3.148 20 30 GGEDHN C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155507529 1423392178 /nfs/dbraw/zinc/39/21/78/1423392178.db2.gz BBNNUVCLZUKXBH-IRXDYDNUSA-N 0 3 378.476 3.062 20 30 GGEDHN CC(=O)NC[C@@H]1CCCN(Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000155530960 1423402597 /nfs/dbraw/zinc/40/25/97/1423402597.db2.gz AGCQKZFOGOQQTM-FQEVSTJZSA-N 0 3 377.488 3.485 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000155533694 1423404691 /nfs/dbraw/zinc/40/46/91/1423404691.db2.gz FDZDFCUEPKTXLF-ZRBLBEILSA-N 0 3 388.515 3.217 20 30 GGEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)sc1C ZINC000155662910 1423475360 /nfs/dbraw/zinc/47/53/60/1423475360.db2.gz RMGHSAPPKGSLAG-HNNXBMFYSA-N 0 3 378.461 3.211 20 30 GGEDHN N#Cc1ccc(C(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000155674857 1423481849 /nfs/dbraw/zinc/48/18/49/1423481849.db2.gz CXPQCTYIOGBPTQ-QGZVFWFLSA-N 0 3 396.878 3.161 20 30 GGEDHN CCOc1ccc(N(CCC#N)C(=O)CC2(N3CCOCC3)CCCC2)cc1 ZINC000155765329 1423523610 /nfs/dbraw/zinc/52/36/10/1423523610.db2.gz IANOMZGBNYFCJS-UHFFFAOYSA-N 0 3 385.508 3.367 20 30 GGEDHN CN1CCN(CCCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000156064348 1423657265 /nfs/dbraw/zinc/65/72/65/1423657265.db2.gz ATUPXQPNPQTNIH-UHFFFAOYSA-N 0 3 391.519 3.059 20 30 GGEDHN CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCC(CO)CC1 ZINC000156261972 1423748389 /nfs/dbraw/zinc/74/83/89/1423748389.db2.gz AWEOMYSREWSGJF-UHFFFAOYSA-N 0 3 375.538 3.310 20 30 GGEDHN C[C@H](N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973714 1429670374 /nfs/dbraw/zinc/67/03/74/1429670374.db2.gz FZDFCLSVONXQNO-YCRPNKLZSA-N 0 3 388.471 3.289 20 30 GGEDHN C[C@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973743 1429670697 /nfs/dbraw/zinc/67/06/97/1429670697.db2.gz FZDFCLSVONXQNO-BTYIYWSLSA-N 0 3 388.471 3.289 20 30 GGEDHN CN(C)Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000156349277 1423792160 /nfs/dbraw/zinc/79/21/60/1423792160.db2.gz VSTOLIRVPXEIKA-IBGZPJMESA-N 0 3 380.467 3.158 20 30 GGEDHN CC(C)(C)OC(=O)N1CCC(CCN2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000179986533 1429676531 /nfs/dbraw/zinc/67/65/31/1429676531.db2.gz PHSILQPMPGOKSC-UHFFFAOYSA-N 0 3 399.539 3.112 20 30 GGEDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000156815288 1423869288 /nfs/dbraw/zinc/86/92/88/1423869288.db2.gz RAONFZAMJSAEEL-UHFFFAOYSA-N 0 3 389.443 3.120 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000157073954 1423918165 /nfs/dbraw/zinc/91/81/65/1423918165.db2.gz MTJXNHUMMUFTLA-FQEVSTJZSA-N 0 3 384.524 3.123 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(C(=O)Nc2ccccc2)CC1 ZINC000157357624 1423994068 /nfs/dbraw/zinc/99/40/68/1423994068.db2.gz KDEMRISFROQIHU-UHFFFAOYSA-N 0 3 379.460 3.296 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000157399645 1424003158 /nfs/dbraw/zinc/00/31/58/1424003158.db2.gz VDTAYMADKVPQOS-SFHVURJKSA-N 0 3 395.507 3.143 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000157399795 1424003502 /nfs/dbraw/zinc/00/35/02/1424003502.db2.gz VDTAYMADKVPQOS-GOSISDBHSA-N 0 3 395.507 3.143 20 30 GGEDHN Cn1cc(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180015529 1429693039 /nfs/dbraw/zinc/69/30/39/1429693039.db2.gz TUGIDIRTIMLFDH-QGZVFWFLSA-N 0 3 395.507 3.305 20 30 GGEDHN Cn1cc(CN2CCC(OC[C@H]3CCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180011280 1429690890 /nfs/dbraw/zinc/69/08/90/1429690890.db2.gz BOXXPRISRQFCFX-OAQYLSRUSA-N 0 3 380.492 3.119 20 30 GGEDHN CC(=O)Nc1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000158163673 1424183699 /nfs/dbraw/zinc/18/36/99/1424183699.db2.gz RMLBSNSJSIYTLH-UHFFFAOYSA-N 0 3 398.894 3.374 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000158186998 1424189233 /nfs/dbraw/zinc/18/92/33/1424189233.db2.gz XXHZKRHAYCDARI-SJLPKXTDSA-N 0 3 394.560 3.114 20 30 GGEDHN COc1cc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc(OC)c1OC ZINC000180035333 1429706097 /nfs/dbraw/zinc/70/60/97/1429706097.db2.gz VEDQAFONTHXIIB-UHFFFAOYSA-N 0 3 392.459 3.274 20 30 GGEDHN Cn1cc(CNCc2ccc(N3CCCC3=O)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180037464 1429707080 /nfs/dbraw/zinc/70/70/80/1429707080.db2.gz XTUAZIYNALZBSQ-UHFFFAOYSA-N 0 3 385.471 3.375 20 30 GGEDHN Cc1nc(N2CCOCC2)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000180049867 1429713722 /nfs/dbraw/zinc/71/37/22/1429713722.db2.gz JOWTXRQMLLFBKP-UHFFFAOYSA-N 0 3 391.519 3.175 20 30 GGEDHN Cn1cc(CNCc2cccc(CN3CCCC3=O)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180050339 1429714451 /nfs/dbraw/zinc/71/44/51/1429714451.db2.gz ISOFPARLYQMPTQ-UHFFFAOYSA-N 0 3 399.498 3.371 20 30 GGEDHN CS(=O)(=O)CCc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000180053170 1429715944 /nfs/dbraw/zinc/71/59/44/1429715944.db2.gz DCAMALYWBJTOIP-UHFFFAOYSA-N 0 3 397.544 3.222 20 30 GGEDHN Cc1cc(C)n(-c2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cn2)n1 ZINC000180059464 1429718265 /nfs/dbraw/zinc/71/82/65/1429718265.db2.gz LKSSFAIPVPNIFO-UHFFFAOYSA-N 0 3 397.486 3.446 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 ZINC000159340683 1424490039 /nfs/dbraw/zinc/49/00/39/1424490039.db2.gz JJXWBPODDGGMID-UHFFFAOYSA-N 0 3 381.524 3.329 20 30 GGEDHN CC(=O)Nc1ccc(Cl)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000159517579 1424510245 /nfs/dbraw/zinc/51/02/45/1424510245.db2.gz CWSXBFKJOOKFRE-UHFFFAOYSA-N 0 3 398.894 3.374 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2c(C)noc2C)cc1Cl ZINC000159789091 1424536845 /nfs/dbraw/zinc/53/68/45/1424536845.db2.gz CEUUWLBKUHTSBD-ZANVPECISA-N 0 3 375.812 3.405 20 30 GGEDHN C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000160006782 1424561460 /nfs/dbraw/zinc/56/14/60/1424561460.db2.gz FJHZTIKGNISUKN-XMSQKQJNSA-N 0 3 397.544 3.373 20 30 GGEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000160001149 1424562006 /nfs/dbraw/zinc/56/20/06/1424562006.db2.gz IDIVINUULRZONI-FXAWDEMLSA-N 0 3 383.517 3.232 20 30 GGEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000160001403 1424562048 /nfs/dbraw/zinc/56/20/48/1424562048.db2.gz IDIVINUULRZONI-PXNSSMCTSA-N 0 3 383.517 3.232 20 30 GGEDHN CN(CCN1CCN(CC#Cc2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000160119432 1424577201 /nfs/dbraw/zinc/57/72/01/1424577201.db2.gz KSGRPJVVNWUROD-UHFFFAOYSA-N 0 3 381.951 3.441 20 30 GGEDHN C=C(C)Cn1c(-c2ccncc2)nn(CN2CCN(C)C[C@H]2C(C)C)c1=S ZINC000160908109 1424643294 /nfs/dbraw/zinc/64/32/94/1424643294.db2.gz UCFLLIYKMUOPAC-SFHVURJKSA-N 0 3 386.569 3.282 20 30 GGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC)c1 ZINC000161820187 1424772536 /nfs/dbraw/zinc/77/25/36/1424772536.db2.gz YHZKHEUPUFIHAA-UHFFFAOYSA-N 0 3 382.464 3.171 20 30 GGEDHN C[C@H](NC(C)(C)CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000162146561 1424820068 /nfs/dbraw/zinc/82/00/68/1424820068.db2.gz LZYWMRMOSQYHLL-HNNXBMFYSA-N 0 3 389.496 3.246 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(C3CCCC3)o2)c1 ZINC000162404549 1424847068 /nfs/dbraw/zinc/84/70/68/1424847068.db2.gz KFYKBCTUBUYRJW-INIZCTEOSA-N 0 3 382.420 3.016 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000162449741 1424853547 /nfs/dbraw/zinc/85/35/47/1424853547.db2.gz KZWBPMOUFAAMRQ-OAHLLOKOSA-N 0 3 396.447 3.406 20 30 GGEDHN CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C3CCCCC3)CC2)cc1 ZINC000162924186 1424906431 /nfs/dbraw/zinc/90/64/31/1424906431.db2.gz KXVSQLJFFBGEPZ-UHFFFAOYSA-N 0 3 398.551 3.282 20 30 GGEDHN C#CCOCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)NC2(C)C ZINC000164757780 1425140119 /nfs/dbraw/zinc/14/01/19/1425140119.db2.gz WXBDGFCEGFKLIM-UHFFFAOYSA-N 0 3 392.521 3.063 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(OC(C)(C)C)CC2)c(OC)c1 ZINC000164905213 1425150287 /nfs/dbraw/zinc/15/02/87/1425150287.db2.gz MXBMFQXJTXVORR-GOSISDBHSA-N 0 3 377.525 3.443 20 30 GGEDHN CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000165679086 1425191311 /nfs/dbraw/zinc/19/13/11/1425191311.db2.gz RWAFLNJVXMIEJV-UHFFFAOYSA-N 0 3 379.464 3.216 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000170673189 1425290420 /nfs/dbraw/zinc/29/04/20/1425290420.db2.gz HIQICPIMBOTBRS-QGZVFWFLSA-N 0 3 399.516 3.059 20 30 GGEDHN Cc1oc(-c2ccsc2)nc1CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000170709655 1425312058 /nfs/dbraw/zinc/31/20/58/1425312058.db2.gz WBAQSZIWYCSYNH-INIZCTEOSA-N 0 3 379.441 3.279 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000170713098 1425313587 /nfs/dbraw/zinc/31/35/87/1425313587.db2.gz METSSHGTGYPCMX-UHFFFAOYSA-N 0 3 387.911 3.250 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(C)cc3C)c3c2CCC3)CC1 ZINC000170946149 1425405060 /nfs/dbraw/zinc/40/50/60/1425405060.db2.gz IKKFBDHERPDXRC-UHFFFAOYSA-N 0 3 378.520 3.358 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000171027456 1425445633 /nfs/dbraw/zinc/44/56/33/1425445633.db2.gz HEVLJQHPRCJGQS-UHFFFAOYSA-N 0 3 397.479 3.440 20 30 GGEDHN COc1ccc(CN2C[C@H](C(=O)C(C#N)c3nc4ccccc4o3)CC2=O)cc1 ZINC000171146562 1425508268 /nfs/dbraw/zinc/50/82/68/1425508268.db2.gz BLWOWJQHRUZUQF-NVXWUHKLSA-N 0 3 389.411 3.061 20 30 GGEDHN N#CC(C(=O)CSC[C@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000171366185 1425643716 /nfs/dbraw/zinc/64/37/16/1425643716.db2.gz OXTTXHVBWGJATL-CHWSQXEVSA-N 0 3 384.860 3.429 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(CC)cc3)c3c2CCC3)CC1 ZINC000171605908 1425756449 /nfs/dbraw/zinc/75/64/49/1425756449.db2.gz VYKVFKPHGAMTGT-UHFFFAOYSA-N 0 3 378.520 3.304 20 30 GGEDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)n1 ZINC000171631714 1425766031 /nfs/dbraw/zinc/76/60/31/1425766031.db2.gz GCRSCGHCMLASDB-ZDUSSCGKSA-N 0 3 385.493 3.008 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1 ZINC000171677096 1425786364 /nfs/dbraw/zinc/78/63/64/1425786364.db2.gz JYXLLENGLVEEDL-KRWDZBQOSA-N 0 3 377.460 3.155 20 30 GGEDHN C=CCN1CCC(NC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000171704474 1425794501 /nfs/dbraw/zinc/79/45/01/1425794501.db2.gz LBGOBFXLIZBWLF-UHFFFAOYSA-N 0 3 390.959 3.254 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 ZINC000171714678 1425801109 /nfs/dbraw/zinc/80/11/09/1425801109.db2.gz JCKPKIYZVGVPKF-LJQANCHMSA-N 0 3 391.924 3.035 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000171715637 1425801129 /nfs/dbraw/zinc/80/11/29/1425801129.db2.gz HBFHUZBTWJGQQP-HNNXBMFYSA-N 0 3 396.318 3.113 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 ZINC000171717766 1425801609 /nfs/dbraw/zinc/80/16/09/1425801609.db2.gz WJQCUDKNCILJGV-SFHVURJKSA-N 0 3 384.524 3.006 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC1 ZINC000171718027 1425802351 /nfs/dbraw/zinc/80/23/51/1425802351.db2.gz BIOMWRFJRBCVHR-UHFFFAOYSA-N 0 3 386.446 3.019 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)CC1 ZINC000171719528 1425802714 /nfs/dbraw/zinc/80/27/14/1425802714.db2.gz LRZYHIJBXBUGNN-UHFFFAOYSA-N 0 3 393.466 3.182 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)CC1 ZINC000171721846 1425803354 /nfs/dbraw/zinc/80/33/54/1425803354.db2.gz MGTHNUPPKDDEKR-UHFFFAOYSA-N 0 3 390.487 3.294 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)CC1 ZINC000171721384 1425803395 /nfs/dbraw/zinc/80/33/95/1425803395.db2.gz LETKDNBGTBAWKB-UHFFFAOYSA-N 0 3 389.503 3.498 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3cn4ccccc4n3)cc2)CC1 ZINC000171722594 1425803489 /nfs/dbraw/zinc/80/34/89/1425803489.db2.gz VYWZWJGIBYYWHO-UHFFFAOYSA-N 0 3 390.487 3.294 20 30 GGEDHN C=CCN1CCC(NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CC1 ZINC000171722847 1425803516 /nfs/dbraw/zinc/80/35/16/1425803516.db2.gz PIIJJVDFYXSAPU-UHFFFAOYSA-N 0 3 391.943 3.338 20 30 GGEDHN C=CCN1CCC(NC(=O)Cn2c3ccccc3nc2SC(F)F)CC1 ZINC000171721742 1425803562 /nfs/dbraw/zinc/80/35/62/1425803562.db2.gz VORZBLGZIKMSFV-UHFFFAOYSA-N 0 3 380.464 3.118 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(Oc3ccc(F)cc3)c2)CC1 ZINC000171730241 1425805714 /nfs/dbraw/zinc/80/57/14/1425805714.db2.gz AWBITSFGQLGZAQ-UHFFFAOYSA-N 0 3 384.455 3.463 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 ZINC000171739630 1425808050 /nfs/dbraw/zinc/80/80/50/1425808050.db2.gz RJUSNRIJHAOGDQ-UHFFFAOYSA-N 0 3 376.888 3.239 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)CCCc2cc(-c3cccc(F)c3)n[nH]2)CC1 ZINC000171741039 1425808605 /nfs/dbraw/zinc/80/86/05/1425808605.db2.gz WOIYEXVJIVBESN-UHFFFAOYSA-N 0 3 399.514 3.440 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)CC1 ZINC000171741707 1425808655 /nfs/dbraw/zinc/80/86/55/1425808655.db2.gz MTMXHLZZTYEJCR-KRWDZBQOSA-N 0 3 384.524 3.473 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCc2ccccc2)Cc2cccnc2)CC1 ZINC000171741748 1425809148 /nfs/dbraw/zinc/80/91/48/1425809148.db2.gz GKSATPHUXHLZHP-UHFFFAOYSA-N 0 3 378.520 3.486 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(F)c2)C[C@@H]2CCCO2)CC1 ZINC000171741868 1425809211 /nfs/dbraw/zinc/80/92/11/1425809211.db2.gz AFOQAZXFOQQESM-FQEVSTJZSA-N 0 3 375.488 3.167 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000171780909 1425818914 /nfs/dbraw/zinc/81/89/14/1425818914.db2.gz QFCUTIXHAFDSOF-FQEVSTJZSA-N 0 3 391.943 3.445 20 30 GGEDHN C#CCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000172112347 1425899377 /nfs/dbraw/zinc/89/93/77/1425899377.db2.gz DWDOUARWRDKERQ-UHFFFAOYSA-N 0 3 398.528 3.163 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000172349793 1426012158 /nfs/dbraw/zinc/01/21/58/1426012158.db2.gz HLJAXOPXZUIRLT-UHFFFAOYSA-N 0 3 378.398 3.271 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)cc1 ZINC000172384072 1426021699 /nfs/dbraw/zinc/02/16/99/1426021699.db2.gz RPQHDJWJYQPPEV-JOCHJYFZSA-N 0 3 390.487 3.091 20 30 GGEDHN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000172668794 1426136013 /nfs/dbraw/zinc/13/60/13/1426136013.db2.gz QWYPPLCQNSAOBA-HOTGVXAUSA-N 0 3 382.464 3.472 20 30 GGEDHN C[C@@H](CNC(=O)Nc1ccccc1S[C@@H](C)CC#N)CN1CCN(C)CC1 ZINC000173121952 1426351947 /nfs/dbraw/zinc/35/19/47/1426351947.db2.gz OXZNOJZVJASGAN-IRXDYDNUSA-N 0 3 389.569 3.086 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000173199640 1426388793 /nfs/dbraw/zinc/38/87/93/1426388793.db2.gz ZGBRLWSPCMTZIS-KRWDZBQOSA-N 0 3 376.932 3.258 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1 ZINC000173199628 1426389089 /nfs/dbraw/zinc/38/90/89/1426389089.db2.gz ZGBRLWSPCMTZIS-QGZVFWFLSA-N 0 3 376.932 3.258 20 30 GGEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccccc1F ZINC000173261584 1426440013 /nfs/dbraw/zinc/44/00/13/1426440013.db2.gz LHNYULFIKRBRLU-KRWDZBQOSA-N 0 3 398.482 3.238 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccc(C)cc2)CC1 ZINC000173271918 1426449817 /nfs/dbraw/zinc/44/98/17/1426449817.db2.gz IYTCZNIATHDOJN-UHFFFAOYSA-N 0 3 393.487 3.492 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2SC(F)(F)F)CC1 ZINC000173272007 1426450442 /nfs/dbraw/zinc/45/04/42/1426450442.db2.gz ADEFEWMVJOGYJS-UHFFFAOYSA-N 0 3 387.427 3.004 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000173276682 1426454902 /nfs/dbraw/zinc/45/49/02/1426454902.db2.gz SKTJBHUOKDCHSQ-UHFFFAOYSA-N 0 3 379.460 3.184 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000173276510 1426455232 /nfs/dbraw/zinc/45/52/32/1426455232.db2.gz QVEKWFOGJXBULV-UHFFFAOYSA-N 0 3 379.460 3.184 20 30 GGEDHN CC1CCN([C@@H](CNC(=O)Nc2ccn(CCC#N)n2)c2cccs2)CC1 ZINC000173360614 1426535058 /nfs/dbraw/zinc/53/50/58/1426535058.db2.gz SCTSMKCWECYGOO-INIZCTEOSA-N 0 3 386.525 3.453 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)Nc1ccn(CCC#N)n1)c1cccc(OC)c1 ZINC000173377005 1426550769 /nfs/dbraw/zinc/55/07/69/1426550769.db2.gz ZCEDXBLAJTWOBT-GOSISDBHSA-N 0 3 384.484 3.010 20 30 GGEDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000173419230 1426601762 /nfs/dbraw/zinc/60/17/62/1426601762.db2.gz DIAWZAWDNGWDAA-UHFFFAOYSA-N 0 3 380.448 3.233 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000173516842 1426688535 /nfs/dbraw/zinc/68/85/35/1426688535.db2.gz KYJKNYLAAWGDOI-SFHVURJKSA-N 0 3 393.487 3.069 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)CC1 ZINC000173580505 1426745911 /nfs/dbraw/zinc/74/59/11/1426745911.db2.gz OILACJFXENJWKP-UHFFFAOYSA-N 0 3 385.487 3.300 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC000173963153 1426912924 /nfs/dbraw/zinc/91/29/24/1426912924.db2.gz YBYREQJQTUWPFM-AWEZNQCLSA-N 0 3 377.322 3.292 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000173965014 1426914009 /nfs/dbraw/zinc/91/40/09/1426914009.db2.gz PMFDRHHTEMRSLL-HNNXBMFYSA-N 0 3 398.488 3.326 20 30 GGEDHN CCN(CC(=O)Nc1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000173972299 1426917702 /nfs/dbraw/zinc/91/77/02/1426917702.db2.gz HOEQJSIZZJVVNI-UHFFFAOYSA-N 0 3 377.492 3.130 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)CCc2cccc(F)c2)cc1 ZINC000173995006 1426932724 /nfs/dbraw/zinc/93/27/24/1426932724.db2.gz YMNUBOYECXQFPL-HRAATJIYSA-N 0 3 396.462 3.471 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)CCc2cccc(F)c2)cc1 ZINC000173995050 1426932756 /nfs/dbraw/zinc/93/27/56/1426932756.db2.gz YMNUBOYECXQFPL-IERDGZPVSA-N 0 3 396.462 3.471 20 30 GGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccccn1)c1ccc(Br)s1 ZINC000174011086 1426942303 /nfs/dbraw/zinc/94/23/03/1426942303.db2.gz HRUDEEYKBOLSJA-ZJUUUORDSA-N 0 3 378.251 3.357 20 30 GGEDHN COc1ccc(CNCc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174257257 1427072734 /nfs/dbraw/zinc/07/27/34/1427072734.db2.gz HDIQXKABLDBRKS-HDICACEKSA-N 0 3 379.504 3.466 20 30 GGEDHN CN(C[C@H]1CCCN1CCC(=O)Nc1sccc1C#N)C(=O)OC(C)(C)C ZINC000174286943 1427085873 /nfs/dbraw/zinc/08/58/73/1427085873.db2.gz JLBATIMHKOUKAN-OAHLLOKOSA-N 0 3 392.525 3.280 20 30 GGEDHN CCC[C@H](NCc1ccc(OC)c(C#N)c1)C(=O)N1CCc2sccc2C1 ZINC000174337938 1427109085 /nfs/dbraw/zinc/10/90/85/1427109085.db2.gz GNXUMCBDAYCHBX-SFHVURJKSA-N 0 3 383.517 3.472 20 30 GGEDHN CCC[C@@H](NCc1ccc(OC)c(C#N)c1)C(=O)N1CCc2sccc2C1 ZINC000174337952 1427109128 /nfs/dbraw/zinc/10/91/28/1427109128.db2.gz GNXUMCBDAYCHBX-GOSISDBHSA-N 0 3 383.517 3.472 20 30 GGEDHN COc1ccc(CN[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1C#N ZINC000174352541 1427116134 /nfs/dbraw/zinc/11/61/34/1427116134.db2.gz QNNNOPKMCVFKAV-MRXNPFEDSA-N 0 3 382.483 3.309 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cccc(C)c1C#N)c1ccccc1 ZINC000174579001 1427237387 /nfs/dbraw/zinc/23/73/87/1427237387.db2.gz XHQMBQNHISTTLB-HXUWFJFHSA-N 0 3 378.476 3.005 20 30 GGEDHN N#CCC1(COC(=O)C2CCN(c3ccccc3Br)C2=O)CC1 ZINC000174732085 1427336804 /nfs/dbraw/zinc/33/68/04/1427336804.db2.gz OALUWRHBBYYGOI-GFCCVEGCSA-N 0 3 377.238 3.039 20 30 GGEDHN CC[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1C[C@@H](C)O ZINC000174733553 1427338253 /nfs/dbraw/zinc/33/82/53/1427338253.db2.gz YFZTXUYGIRPKEJ-TZMCWYRMSA-N 0 3 376.863 3.180 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCN([C@H](C)c3ccc(Cl)cc3)CC2)CC1 ZINC000174777176 1427361617 /nfs/dbraw/zinc/36/16/17/1427361617.db2.gz BSBHFPSXAKUUQQ-QGZVFWFLSA-N 0 3 390.959 3.379 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175026001 1427506620 /nfs/dbraw/zinc/50/66/20/1427506620.db2.gz YJRAOJIZFUIZGX-UHFFFAOYSA-N 0 3 393.487 3.069 20 30 GGEDHN O=C(CC1(N2CCOCC2)CCCC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000175026379 1427507031 /nfs/dbraw/zinc/50/70/31/1427507031.db2.gz YSRBYUASNXICEZ-UHFFFAOYSA-N 0 3 394.437 3.208 20 30 GGEDHN COC(=O)c1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000175043694 1427516238 /nfs/dbraw/zinc/51/62/38/1427516238.db2.gz CGCPOIPUTPQEIJ-UHFFFAOYSA-N 0 3 394.475 3.249 20 30 GGEDHN N#Cc1ccccc1NC(=O)CCN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000175170078 1427579932 /nfs/dbraw/zinc/57/99/32/1427579932.db2.gz WZOMRYUURONCBM-FQEVSTJZSA-N 0 3 390.487 3.171 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000175511151 1427798252 /nfs/dbraw/zinc/79/82/52/1427798252.db2.gz UWNIFOOZLPZOJG-QZTJIDSGSA-N 0 3 377.554 3.386 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)CC1 ZINC000175513176 1427799699 /nfs/dbraw/zinc/79/96/99/1427799699.db2.gz KIMGFFFVSGUNND-CYBMUJFWSA-N 0 3 389.887 3.401 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2cccs2)cc1 ZINC000175955041 1427995688 /nfs/dbraw/zinc/99/56/88/1427995688.db2.gz WCEHEOITCBAODN-UHFFFAOYSA-N 0 3 386.521 3.260 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000175955877 1427995706 /nfs/dbraw/zinc/99/57/06/1427995706.db2.gz YACGLFXLCWHFBH-JTHBVZDNSA-N 0 3 380.488 3.022 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000175955894 1427995736 /nfs/dbraw/zinc/99/57/36/1427995736.db2.gz YACGLFXLCWHFBH-GMAHTHKFSA-N 0 3 380.488 3.022 20 30 GGEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 ZINC000176021491 1428030949 /nfs/dbraw/zinc/03/09/49/1428030949.db2.gz WKIAUZMNDNSZRB-SFHVURJKSA-N 0 3 397.500 3.429 20 30 GGEDHN CN(C(=O)c1cccc(SCC#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000176035823 1428039416 /nfs/dbraw/zinc/03/94/16/1428039416.db2.gz VNMKNRIPHUWLGZ-UHFFFAOYSA-N 0 3 394.544 3.476 20 30 GGEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1cccc(F)c1 ZINC000176101286 1428082820 /nfs/dbraw/zinc/08/28/20/1428082820.db2.gz WDTLKAGBLDLNOC-KRWDZBQOSA-N 0 3 398.482 3.238 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccccc2CSC2=NCCS2)CC1 ZINC000176244183 1428190218 /nfs/dbraw/zinc/19/02/18/1428190218.db2.gz RLSQEXKWUGDFIH-UHFFFAOYSA-N 0 3 375.563 3.403 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000180209414 1429802418 /nfs/dbraw/zinc/80/24/18/1429802418.db2.gz AHUYQRUITQLORJ-UHFFFAOYSA-N 0 3 377.492 3.146 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)Cc2ccccc2C1 ZINC000180580609 1429909172 /nfs/dbraw/zinc/90/91/72/1429909172.db2.gz MJIBOQKNONVFGM-UHFFFAOYSA-N 0 3 390.531 3.437 20 30 GGEDHN COc1ccc(CN2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654995 1429959181 /nfs/dbraw/zinc/95/91/81/1429959181.db2.gz ZHIGBSSURSGBOQ-RXVVDRJESA-N 0 3 398.507 3.057 20 30 GGEDHN Cc1c([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000180869460 1430078443 /nfs/dbraw/zinc/07/84/43/1430078443.db2.gz OGOUNFBROFFSPR-UUPHZHHOSA-N 0 3 399.882 3.011 20 30 GGEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180869484 1430078469 /nfs/dbraw/zinc/07/84/69/1430078469.db2.gz JHAFDFRMWFGXQT-JPWUFHEYSA-N 0 3 382.489 3.296 20 30 GGEDHN Cc1nc(-c2ccccc2)sc1[C@H](C)NCCNC(=O)C1N=CC=CC1=O ZINC000180869508 1430078879 /nfs/dbraw/zinc/07/88/79/1430078879.db2.gz JHAFDFRMWFGXQT-HDRCJFCASA-N 0 3 382.489 3.296 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000180882979 1430087296 /nfs/dbraw/zinc/08/72/96/1430087296.db2.gz NUPNCTFJLJBUGO-HNNXBMFYSA-N 0 3 390.352 3.353 20 30 GGEDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000180898622 1430096802 /nfs/dbraw/zinc/09/68/02/1430096802.db2.gz SLUOGSLXYATPDG-KRWDZBQOSA-N 0 3 392.503 3.063 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)N2C[C@H]3CCCN3Cc3ccccc32)cc1Cl ZINC000180948170 1430130219 /nfs/dbraw/zinc/13/02/19/1430130219.db2.gz CAIDQIKDLZUGRC-MRXNPFEDSA-N 0 3 387.892 3.385 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2cccc(F)c2F)cc1 ZINC000181012587 1430166224 /nfs/dbraw/zinc/16/62/24/1430166224.db2.gz KALBNISXDSSUGO-OAHLLOKOSA-N 0 3 386.354 3.032 20 30 GGEDHN C=C(Cl)COc1ccc([C@H](C)N[C@H]2CCCN(c3ccn(C)n3)C2=O)cc1 ZINC000181175324 1430237889 /nfs/dbraw/zinc/23/78/89/1430237889.db2.gz YIYJPGGYPDFJQF-YJBOKZPZSA-N 0 3 388.899 3.398 20 30 GGEDHN CC(C)(C)OC(=O)c1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cc1 ZINC000181258798 1430257637 /nfs/dbraw/zinc/25/76/37/1430257637.db2.gz BEOMLXGPDRBKRJ-INIZCTEOSA-N 0 3 380.448 3.450 20 30 GGEDHN C[C@@H](N[C@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181272645 1430260587 /nfs/dbraw/zinc/26/05/87/1430260587.db2.gz XTVUIKFLGYWPPK-HZPDHXFCSA-N 0 3 384.480 3.025 20 30 GGEDHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000181442041 1430300284 /nfs/dbraw/zinc/30/02/84/1430300284.db2.gz JETMMAKHSRNFGO-MRXNPFEDSA-N 0 3 376.460 3.364 20 30 GGEDHN N#CC(C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000181500488 1430311441 /nfs/dbraw/zinc/31/14/41/1430311441.db2.gz XNPYBTFDSMEVBP-AWEZNQCLSA-N 0 3 385.855 3.332 20 30 GGEDHN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638287 1430332800 /nfs/dbraw/zinc/33/28/00/1430332800.db2.gz RURGZSDXIHRWQG-AVRDEDQJSA-N 0 3 377.488 3.473 20 30 GGEDHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)NC1(C#N)CCCCC1 ZINC000181661841 1430337386 /nfs/dbraw/zinc/33/73/86/1430337386.db2.gz FSDDPWGMBHMFJK-UHFFFAOYSA-N 0 3 398.429 3.190 20 30 GGEDHN COc1ccc(CN2CC[C@@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968285 1430389823 /nfs/dbraw/zinc/38/98/23/1430389823.db2.gz JUVDEVONMSUURW-IIBYNOLFSA-N 0 3 379.460 3.049 20 30 GGEDHN N#CCCN(C(=O)CN[C@@H](CC(N)=O)C1CCCCC1)c1cccc(Cl)c1 ZINC000182043080 1430401043 /nfs/dbraw/zinc/40/10/43/1430401043.db2.gz XSHKNPPSBJRWOW-SFHVURJKSA-N 0 3 390.915 3.001 20 30 GGEDHN CC[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308312 1430446182 /nfs/dbraw/zinc/44/61/82/1430446182.db2.gz CSSZKMITPJXPKU-RBUKOAKNSA-N 0 3 376.932 3.073 20 30 GGEDHN CC[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594473 1430499364 /nfs/dbraw/zinc/49/93/64/1430499364.db2.gz QFGWGEUYRSSZQA-OALUTQOASA-N 0 3 376.932 3.073 20 30 GGEDHN C[C@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000182776125 1430537715 /nfs/dbraw/zinc/53/77/15/1430537715.db2.gz KOBJGSJMDHKZLD-HNNXBMFYSA-N 0 3 398.438 3.299 20 30 GGEDHN C[C@H]1Oc2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)cc2NC1=O ZINC000182825692 1430547856 /nfs/dbraw/zinc/54/78/56/1430547856.db2.gz XCROGGUKHDBPLQ-OAHLLOKOSA-N 0 3 376.460 3.354 20 30 GGEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CNC2(c3ccccc3)CCC2)CC1 ZINC000182871272 1430558505 /nfs/dbraw/zinc/55/85/05/1430558505.db2.gz BBIROXHVOUXWTF-IBGZPJMESA-N 0 3 394.544 3.126 20 30 GGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1CC1 ZINC000183483239 1430723515 /nfs/dbraw/zinc/72/35/15/1430723515.db2.gz FHVXNJBGCBPPCO-FQEVSTJZSA-N 0 3 392.503 3.181 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 ZINC000183565673 1430743477 /nfs/dbraw/zinc/74/34/77/1430743477.db2.gz QCUUFCPVZBGEJN-SFHVURJKSA-N 0 3 376.932 3.258 20 30 GGEDHN CCN(CC(=O)Nc1oc(C)c(C)c1C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183762680 1430788334 /nfs/dbraw/zinc/78/83/34/1430788334.db2.gz YKLYVHHIPLXKST-IBGZPJMESA-N 0 3 380.492 3.303 20 30 GGEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000184297226 1430870016 /nfs/dbraw/zinc/87/00/16/1430870016.db2.gz JQYXYJANNLPUSM-GOSISDBHSA-N 0 3 392.503 3.106 20 30 GGEDHN C[C@H](C#N)Oc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000184314496 1430872305 /nfs/dbraw/zinc/87/23/05/1430872305.db2.gz IRDCECMRDRUWSJ-MRXNPFEDSA-N 0 3 388.537 3.461 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000184616974 1430920721 /nfs/dbraw/zinc/92/07/21/1430920721.db2.gz AZVBQTKEYBGYQY-QGZVFWFLSA-N 0 3 396.491 3.225 20 30 GGEDHN C=C(C)[C@@H](NC(=O)NC[C@@H](C)CN1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652801 1430931227 /nfs/dbraw/zinc/93/12/27/1430931227.db2.gz ZFBJEPMIXYKTLW-OXQOHEQNSA-N 0 3 394.510 3.155 20 30 GGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000184841984 1430999714 /nfs/dbraw/zinc/99/97/14/1430999714.db2.gz GCKGYQJBXNYLDJ-JOCHJYFZSA-N 0 3 379.504 3.404 20 30 GGEDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000184844546 1431000958 /nfs/dbraw/zinc/00/09/58/1431000958.db2.gz DFYRDOXYDSNMMQ-JOCHJYFZSA-N 0 3 379.504 3.404 20 30 GGEDHN NC(=NOCCCCc1ccccc1)c1ccccc1CN1CCC(O)CC1 ZINC000185367426 1431127496 /nfs/dbraw/zinc/12/74/96/1431127496.db2.gz TTXJRQWTNCNODH-UHFFFAOYSA-N 0 3 381.520 3.303 20 30 GGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000185640242 1431191741 /nfs/dbraw/zinc/19/17/41/1431191741.db2.gz MVDSIYPFYXZGSB-WBMJQRKESA-N 0 3 396.413 3.024 20 30 GGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000185640258 1431191864 /nfs/dbraw/zinc/19/18/64/1431191864.db2.gz MVDSIYPFYXZGSB-LRDDRELGSA-N 0 3 396.413 3.024 20 30 GGEDHN C=CCn1c(SCCN(C)Cc2ccc(F)cc2)nnc1-c1cnccn1 ZINC000185695577 1431208411 /nfs/dbraw/zinc/20/84/11/1431208411.db2.gz WCWPQFWSSZFBSU-UHFFFAOYSA-N 0 3 384.484 3.284 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@@H](OC(C)C)c2ccccc2OC)CC1 ZINC000185734784 1431219170 /nfs/dbraw/zinc/21/91/70/1431219170.db2.gz FFUKVNBNKQCNDI-HXUWFJFHSA-N 0 3 375.513 3.111 20 30 GGEDHN C=C(C)[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000185844950 1431249792 /nfs/dbraw/zinc/24/97/92/1431249792.db2.gz NZRXVMCVTDDVTJ-LJQANCHMSA-N 0 3 394.510 3.297 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(C(C)(C)O)cc1 ZINC000185942099 1431288722 /nfs/dbraw/zinc/28/87/22/1431288722.db2.gz HLMGSFMTXRNQEI-UHFFFAOYSA-N 0 3 394.519 3.059 20 30 GGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000186152865 1431342805 /nfs/dbraw/zinc/34/28/05/1431342805.db2.gz QCHBSEQCAFYILC-UHFFFAOYSA-N 0 3 389.908 3.286 20 30 GGEDHN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000186219347 1431355493 /nfs/dbraw/zinc/35/54/93/1431355493.db2.gz LDFNUVXBQRPTSL-SFTDATJTSA-N 0 3 386.540 3.225 20 30 GGEDHN COc1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1C#N ZINC000186285068 1431371515 /nfs/dbraw/zinc/37/15/15/1431371515.db2.gz MSLRNLSQDWHVKR-MRXNPFEDSA-N 0 3 399.516 3.300 20 30 GGEDHN CCN(C(=O)COc1ccc(C#N)cc1OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000186326268 1431383569 /nfs/dbraw/zinc/38/35/69/1431383569.db2.gz CKZDIVCGCGUJGL-HXUWFJFHSA-N 0 3 393.487 3.069 20 30 GGEDHN C[C@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000186478709 1431430901 /nfs/dbraw/zinc/43/09/01/1431430901.db2.gz UMIPYVUUZDVVSS-GAJHUEQPSA-N 0 3 392.503 3.475 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000186586299 1431461597 /nfs/dbraw/zinc/46/15/97/1431461597.db2.gz BAJTURLQSDCJIS-SJLPKXTDSA-N 0 3 394.560 3.114 20 30 GGEDHN CCO[C@@H]1C[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046472 1431599050 /nfs/dbraw/zinc/59/90/50/1431599050.db2.gz AZYQMKPVALFUKJ-RBUKOAKNSA-N 0 3 395.507 3.256 20 30 GGEDHN CCO[C@H]1C[C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046433 1431599073 /nfs/dbraw/zinc/59/90/73/1431599073.db2.gz AZYQMKPVALFUKJ-OALUTQOASA-N 0 3 395.507 3.256 20 30 GGEDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046450 1431599113 /nfs/dbraw/zinc/59/91/13/1431599113.db2.gz AZYQMKPVALFUKJ-RTBURBONSA-N 0 3 395.507 3.256 20 30 GGEDHN C#CCOc1ccccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000187238771 1431660963 /nfs/dbraw/zinc/66/09/63/1431660963.db2.gz IOPBSECRWQGHHX-UHFFFAOYSA-N 0 3 378.472 3.155 20 30 GGEDHN C=CC[C@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)c1ccccc1 ZINC000187273986 1431676817 /nfs/dbraw/zinc/67/68/17/1431676817.db2.gz XJRXFUANPOXRJX-SFHVURJKSA-N 0 3 379.460 3.455 20 30 GGEDHN C#CCOc1ccccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000188066136 1431841736 /nfs/dbraw/zinc/84/17/36/1431841736.db2.gz LPOKKNMRMRXDQC-HDICACEKSA-N 0 3 385.508 3.052 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)C[C@H](C)O1 ZINC000188176529 1431857175 /nfs/dbraw/zinc/85/71/75/1431857175.db2.gz UNUVTOPZDXXLGY-KDURUIRLSA-N 0 3 395.547 3.328 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000188210345 1431860907 /nfs/dbraw/zinc/86/09/07/1431860907.db2.gz RCFNJQGPELHQSI-UHFFFAOYSA-N 0 3 382.508 3.367 20 30 GGEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000188262025 1431866939 /nfs/dbraw/zinc/86/69/39/1431866939.db2.gz XBVXZNTZTWVKTR-UHFFFAOYSA-N 0 3 389.443 3.074 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000188398691 1431881078 /nfs/dbraw/zinc/88/10/78/1431881078.db2.gz PHAWLAQCKHDWOT-UHFFFAOYSA-N 0 3 382.508 3.367 20 30 GGEDHN CCCN1CCN(c2ccc(NC(=O)c3ccc(C#N)cn3)c(OCC)c2)CC1 ZINC000190079832 1432315716 /nfs/dbraw/zinc/31/57/16/1432315716.db2.gz FZIRKVANVGNACU-UHFFFAOYSA-N 0 3 393.491 3.136 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CC1 ZINC000190168924 1432332426 /nfs/dbraw/zinc/33/24/26/1432332426.db2.gz IXMPBNVTRLSXQR-UHFFFAOYSA-N 0 3 397.527 3.122 20 30 GGEDHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000190581529 1432412419 /nfs/dbraw/zinc/41/24/19/1432412419.db2.gz LPZRAUWOCUYCNY-GOSISDBHSA-N 0 3 380.517 3.291 20 30 GGEDHN COc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000190603574 1432417535 /nfs/dbraw/zinc/41/75/35/1432417535.db2.gz HGXRUOFXPIBFHX-FGZHOGPDSA-N 0 3 375.472 3.335 20 30 GGEDHN CC[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000190617652 1432421936 /nfs/dbraw/zinc/42/19/36/1432421936.db2.gz UYEIPDLTYMMMBI-VQTJNVASSA-N 0 3 391.471 3.171 20 30 GGEDHN Cc1cc(NC(=O)c2ccc(C#N)c(C)n2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190802202 1432486778 /nfs/dbraw/zinc/48/67/78/1432486778.db2.gz UASPBYDXRJDQHE-UHFFFAOYSA-N 0 3 377.492 3.353 20 30 GGEDHN C=CCC1(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000190801683 1432486891 /nfs/dbraw/zinc/48/68/91/1432486891.db2.gz ZEAMJPGEWUIMJL-FQEVSTJZSA-N 0 3 382.552 3.189 20 30 GGEDHN COCCOCc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190975315 1432541688 /nfs/dbraw/zinc/54/16/88/1432541688.db2.gz HTYHDNZCBDOICS-INIZCTEOSA-N 0 3 379.391 3.422 20 30 GGEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@H](c1ccccc1)N(C)C ZINC000191236411 1432599254 /nfs/dbraw/zinc/59/92/54/1432599254.db2.gz PJSADQRUGVUIEU-OXQOHEQNSA-N 0 3 392.503 3.234 20 30 GGEDHN CCCn1ccnc1CCCN(C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512871 1432676400 /nfs/dbraw/zinc/67/64/00/1432676400.db2.gz NTBGNCCLXUOILQ-FQEVSTJZSA-N 0 3 379.508 3.225 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC(c3ccncc3)CC2)c(OC)c1 ZINC000191629277 1432695878 /nfs/dbraw/zinc/69/58/78/1432695878.db2.gz YBFCFASDFLQLGR-NRFANRHFSA-N 0 3 382.504 3.438 20 30 GGEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1F ZINC000191975498 1432772890 /nfs/dbraw/zinc/77/28/90/1432772890.db2.gz XBDFRWAHFLTGQG-HXUWFJFHSA-N 0 3 393.510 3.127 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(C#N)c(F)c2)C(C)C)cc1 ZINC000192014469 1432779885 /nfs/dbraw/zinc/77/98/85/1432779885.db2.gz YXVASBUQYRFEIM-HXUWFJFHSA-N 0 3 399.466 3.306 20 30 GGEDHN N#Cc1ccc(SCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192215545 1432817898 /nfs/dbraw/zinc/81/78/98/1432817898.db2.gz WQKZZGUNNRFVBQ-HXUWFJFHSA-N 0 3 395.528 3.058 20 30 GGEDHN CN(C)[C@@H](CNC(=O)N1CCCN(c2ccccc2C#N)CC1)c1ccccc1 ZINC000193068885 1432931451 /nfs/dbraw/zinc/93/14/51/1432931451.db2.gz UPIOMEQJQKUVFN-QFIPXVFZSA-N 0 3 391.519 3.083 20 30 GGEDHN Cc1nn(Cc2ccccc2)c2sc(C(=O)C(C#N)C(=O)N3CCCC3)cc12 ZINC000193353958 1432984444 /nfs/dbraw/zinc/98/44/44/1432984444.db2.gz PALVHZLIAPMAJP-KRWDZBQOSA-N 0 3 392.484 3.399 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccccn2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000193404300 1432992158 /nfs/dbraw/zinc/99/21/58/1432992158.db2.gz BWERPKYQNZOHST-AWEZNQCLSA-N 0 3 395.806 3.065 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccccc3)o2)c1 ZINC000193428521 1432997040 /nfs/dbraw/zinc/99/70/40/1432997040.db2.gz OZQOBNUMICCBOA-QGZVFWFLSA-N 0 3 390.399 3.025 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000193458000 1433002437 /nfs/dbraw/zinc/00/24/37/1433002437.db2.gz ZOFCJVUDIXOXEN-GOSISDBHSA-N 0 3 388.427 3.161 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COc1ccc(F)cc1Cl ZINC000193470471 1433004583 /nfs/dbraw/zinc/00/45/83/1433004583.db2.gz KBWCWJDZMWTDBF-GFCCVEGCSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1ccc(-n2ccc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3)n2)cc1 ZINC000193609140 1433028203 /nfs/dbraw/zinc/02/82/03/1433028203.db2.gz ULJLUVBBMQVJHL-KRWDZBQOSA-N 0 3 394.818 3.495 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2c(C)cc(C)cc2C)cc1 ZINC000193748983 1433051444 /nfs/dbraw/zinc/05/14/44/1433051444.db2.gz LAFGWDQZHGTISC-HXUWFJFHSA-N 0 3 394.471 3.067 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)cc1 ZINC000193748517 1433051547 /nfs/dbraw/zinc/05/15/47/1433051547.db2.gz AAYJVMVNBINUMS-MRXNPFEDSA-N 0 3 388.826 3.098 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2cccc3ccccc32)cc1 ZINC000193753282 1433052543 /nfs/dbraw/zinc/05/25/43/1433052543.db2.gz IBGGKMZFDZXLBP-FQEVSTJZSA-N 0 3 388.423 3.252 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)c1ccccc1OCC#N)c1cccc(OC)c1 ZINC000194098196 1433117124 /nfs/dbraw/zinc/11/71/24/1433117124.db2.gz SPDIPBBRHGBTQU-HXUWFJFHSA-N 0 3 381.476 3.410 20 30 GGEDHN CCN1CCC[C@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000194349131 1433165041 /nfs/dbraw/zinc/16/50/41/1433165041.db2.gz FGEMYIVRGQKTSQ-FQEVSTJZSA-N 0 3 391.475 3.416 20 30 GGEDHN CN(C)[C@H](CNC(=O)CSc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000194379042 1433169140 /nfs/dbraw/zinc/16/91/40/1433169140.db2.gz NIGMQBGPORMEBE-HXUWFJFHSA-N 0 3 394.544 3.343 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cc(Br)cs2)c1 ZINC000194588367 1433202139 /nfs/dbraw/zinc/20/21/39/1433202139.db2.gz QWPCNEPNLHDOCR-GFCCVEGCSA-N 0 3 379.235 3.480 20 30 GGEDHN CCOC(=O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000194749010 1433224101 /nfs/dbraw/zinc/22/41/01/1433224101.db2.gz ZUYRGUYDGBYXMX-JOCHJYFZSA-N 0 3 377.488 3.417 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000195142345 1433298574 /nfs/dbraw/zinc/29/85/74/1433298574.db2.gz ZTMKFKFFRWDITD-UHFFFAOYSA-N 0 3 379.357 3.319 20 30 GGEDHN N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000195731841 1433346218 /nfs/dbraw/zinc/34/62/18/1433346218.db2.gz NGCHWOORMULNPI-PKTZIBPZSA-N 0 3 388.515 3.060 20 30 GGEDHN C#CCOc1ccc(CNCc2ccc(N3CCN(CC)CC3)c(F)c2)cc1 ZINC000237005821 1433385631 /nfs/dbraw/zinc/38/56/31/1433385631.db2.gz SPCKDGYLINNKFF-UHFFFAOYSA-N 0 3 381.495 3.269 20 30 GGEDHN C#CCOc1ccc(Br)cc1CNC[C@H](O)c1cccc(OC)c1 ZINC000237315615 1433396919 /nfs/dbraw/zinc/39/69/19/1433396919.db2.gz SKBWWPVUEZFOLJ-SFHVURJKSA-N 0 3 390.277 3.293 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000237580779 1433410619 /nfs/dbraw/zinc/41/06/19/1433410619.db2.gz QXVZMVDDJRHOBE-CVEARBPZSA-N 0 3 387.505 3.079 20 30 GGEDHN N#CCCCOc1cccc(CNCc2ccccc2CN2CCOCC2)c1 ZINC000237823380 1433425941 /nfs/dbraw/zinc/42/59/41/1433425941.db2.gz URUTZDVSPOYXDX-UHFFFAOYSA-N 0 3 379.504 3.491 20 30 GGEDHN N#C[C@@H]1CC[C@H](OC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000245618836 1433491605 /nfs/dbraw/zinc/49/16/05/1433491605.db2.gz NDUUXBHQVWFYHB-AGIUHOORSA-N 0 3 377.238 3.037 20 30 GGEDHN N#C[C@@H]1CC[C@@H](OC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000245618849 1433491667 /nfs/dbraw/zinc/49/16/67/1433491667.db2.gz NDUUXBHQVWFYHB-UPJWGTAASA-N 0 3 377.238 3.037 20 30 GGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245745018 1433509974 /nfs/dbraw/zinc/50/99/74/1433509974.db2.gz MQKHRAMVZJEDFM-YYTGVUGMSA-N 0 3 398.555 3.181 20 30 GGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245745018 1433509980 /nfs/dbraw/zinc/50/99/80/1433509980.db2.gz MQKHRAMVZJEDFM-YYTGVUGMSA-N 0 3 398.555 3.181 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245776267 1433515926 /nfs/dbraw/zinc/51/59/26/1433515926.db2.gz UAXFFGJEXXUUCB-FUHWJXTLSA-N 0 3 392.507 3.197 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245776267 1433515932 /nfs/dbraw/zinc/51/59/32/1433515932.db2.gz UAXFFGJEXXUUCB-FUHWJXTLSA-N 0 3 392.507 3.197 20 30 GGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245885989 1433533746 /nfs/dbraw/zinc/53/37/46/1433533746.db2.gz NVYPYWRRKCKPBV-MSOLQXFVSA-N 0 3 386.565 3.339 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000246486921 1433619828 /nfs/dbraw/zinc/61/98/28/1433619828.db2.gz DABJAGPEIYOPMN-ARFHVFGLSA-N 0 3 383.275 3.349 20 30 GGEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000246552552 1433629913 /nfs/dbraw/zinc/62/99/13/1433629913.db2.gz KMRXQEIHQANZPY-ZACQAIPSSA-N 0 3 395.484 3.209 20 30 GGEDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000246552543 1433629978 /nfs/dbraw/zinc/62/99/78/1433629978.db2.gz KMRXQEIHQANZPY-BBWFWOEESA-N 0 3 395.484 3.209 20 30 GGEDHN C[C@H]1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CCN1Cc1ccccc1 ZINC000246625568 1433641226 /nfs/dbraw/zinc/64/12/26/1433641226.db2.gz ZCKDZPACSWTKBA-PXNSSMCTSA-N 0 3 394.544 3.321 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247300533 1433702088 /nfs/dbraw/zinc/70/20/88/1433702088.db2.gz FDZDFCUEPKTXLF-DNVJHFABSA-N 0 3 388.515 3.217 20 30 GGEDHN CC[C@@H](C)CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000247580811 1433739114 /nfs/dbraw/zinc/73/91/14/1433739114.db2.gz LKLAMZIPSFMWHO-IAGOWNOFSA-N 0 3 386.540 3.334 20 30 GGEDHN Cc1cc(C)cc(OC[C@@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000247887842 1433755131 /nfs/dbraw/zinc/75/51/31/1433755131.db2.gz UKDZKUHWIDHGFW-QHCPKHFHSA-N 0 3 393.531 3.123 20 30 GGEDHN C[C@H](C(=O)N(C)Cc1ccccc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248059987 1433766857 /nfs/dbraw/zinc/76/68/57/1433766857.db2.gz PSISDFUFVCZBJS-HXUWFJFHSA-N 0 3 390.531 3.113 20 30 GGEDHN C[C@@H](C(=O)N(C)Cc1ccccc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248059976 1433767059 /nfs/dbraw/zinc/76/70/59/1433767059.db2.gz PSISDFUFVCZBJS-FQEVSTJZSA-N 0 3 390.531 3.113 20 30 GGEDHN CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000248388943 1433793152 /nfs/dbraw/zinc/79/31/52/1433793152.db2.gz AENILTILUSSHBV-GCJKJVERSA-N 0 3 378.520 3.360 20 30 GGEDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000248531881 1433807079 /nfs/dbraw/zinc/80/70/79/1433807079.db2.gz PNLZIWTZLGGXFU-QUCCMNQESA-N 0 3 382.460 3.152 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000248702070 1433816057 /nfs/dbraw/zinc/81/60/57/1433816057.db2.gz AJSKWHUXDWNRPF-LAUBAEHRSA-N 0 3 379.529 3.428 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000248781621 1433822263 /nfs/dbraw/zinc/82/22/63/1433822263.db2.gz BYMXVTOKEYUDGG-IEBWSBKVSA-N 0 3 393.491 3.406 20 30 GGEDHN CN1CCN(CCCNC(=O)Nc2ccc(CC#N)cc2)[C@@H](c2ccccc2)C1 ZINC000248847409 1433825613 /nfs/dbraw/zinc/82/56/13/1433825613.db2.gz BDORRROVACIZIH-JOCHJYFZSA-N 0 3 391.519 3.253 20 30 GGEDHN N#Cc1ccccc1N1CCCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000248864852 1433826592 /nfs/dbraw/zinc/82/65/92/1433826592.db2.gz ZMTLAVUSKSFMAR-LJQANCHMSA-N 0 3 385.895 3.164 20 30 GGEDHN N#Cc1ccc(N2CCC[C@H](N[C@H]3CCO[C@H]3c3ccc(F)c(F)c3)C2=O)cc1 ZINC000248975992 1433831261 /nfs/dbraw/zinc/83/12/61/1433831261.db2.gz DWDOSPYZEAFZCH-ACRUOGEOSA-N 0 3 397.425 3.452 20 30 GGEDHN C#CCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@H]1CCc2ccccc21 ZINC000249731709 1433850253 /nfs/dbraw/zinc/85/02/53/1433850253.db2.gz UBISQEVQAPNOAK-OFNKIYASSA-N 0 3 378.472 3.007 20 30 GGEDHN Cc1cc(N)nc(SCC(=O)C(C#N)c2nc(-c3ccccc3)cs2)n1 ZINC000253476683 1433867861 /nfs/dbraw/zinc/86/78/61/1433867861.db2.gz AUORDEWVBGXZCV-ZDUSSCGKSA-N 0 3 381.486 3.459 20 30 GGEDHN CC(C)[C@H](NC(=O)CON=Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000254941179 1433872648 /nfs/dbraw/zinc/87/26/48/1433872648.db2.gz OBDOLFBUPLRKPO-QHCPKHFHSA-N 0 3 395.503 3.387 20 30 GGEDHN CCOc1cc(/C=C\C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1O ZINC000255035473 1433874693 /nfs/dbraw/zinc/87/46/93/1433874693.db2.gz DRYNSXIOMAJIOU-BENRWUELSA-N 0 3 393.487 3.266 20 30 GGEDHN CN(C)CCn1c2cc(N=Cc3cc4ccccc4[nH]c3=O)ccc2oc1=O ZINC000255107250 1433876446 /nfs/dbraw/zinc/87/64/46/1433876446.db2.gz BWLATFDXWQIACF-UHFFFAOYSA-N 0 3 376.416 3.161 20 30 GGEDHN O=C(CON=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000255337526 1433880733 /nfs/dbraw/zinc/88/07/33/1433880733.db2.gz ZUFFYSHVNIQILI-FPOVZHCZSA-N 0 3 385.508 3.055 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c([O-])c1 ZINC000255503338 1433883782 /nfs/dbraw/zinc/88/37/82/1433883782.db2.gz PXJRDECPOCQOJJ-VKINRBECSA-N 0 3 395.503 3.337 20 30 GGEDHN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000255710748 1433888138 /nfs/dbraw/zinc/88/81/38/1433888138.db2.gz LMPDILUTVULDCQ-RTBURBONSA-N 0 3 395.503 3.448 20 30 GGEDHN CN(C)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)c1ccccc1 ZINC000263950276 1434052346 /nfs/dbraw/zinc/05/23/46/1434052346.db2.gz DORZOHWTTWGUTM-OAQYLSRUSA-N 0 3 392.503 3.133 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000264095195 1434071382 /nfs/dbraw/zinc/07/13/82/1434071382.db2.gz FGHDSHFILWYGDN-INIZCTEOSA-N 0 3 394.519 3.454 20 30 GGEDHN N#CCOc1ccc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000264179816 1434078777 /nfs/dbraw/zinc/07/87/77/1434078777.db2.gz YIWNZQRFKWROKR-UHFFFAOYSA-N 0 3 381.451 3.256 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccc(OC)c(OC)c2)CC1 ZINC000264352028 1434100469 /nfs/dbraw/zinc/10/04/69/1434100469.db2.gz DEEQLGGWAIWPPT-UHFFFAOYSA-N 0 3 375.513 3.276 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000264356866 1434101257 /nfs/dbraw/zinc/10/12/57/1434101257.db2.gz FJNJFCRBIAGCTG-INIZCTEOSA-N 0 3 384.524 3.436 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(COCCOCC)c2)CC1 ZINC000264415559 1434109504 /nfs/dbraw/zinc/10/95/04/1434109504.db2.gz VHOGWDREBPQCFQ-UHFFFAOYSA-N 0 3 389.540 3.079 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000264437943 1434112490 /nfs/dbraw/zinc/11/24/90/1434112490.db2.gz YUQRUSVJZZDDIU-ROUUACIJSA-N 0 3 386.540 3.462 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000264457983 1434115394 /nfs/dbraw/zinc/11/53/94/1434115394.db2.gz FDBMVTJQGSCXRS-UHFFFAOYSA-N 0 3 387.487 3.315 20 30 GGEDHN C#CCCOc1ccc(CNCc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000264985601 1434171519 /nfs/dbraw/zinc/17/15/19/1434171519.db2.gz VVLFEYFQJAHERA-UHFFFAOYSA-N 0 3 391.515 3.047 20 30 GGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCN(C4CCC4)CC3)sc2C1 ZINC000265135090 1434189097 /nfs/dbraw/zinc/18/90/97/1434189097.db2.gz ODRHLMMAYXBNCW-HNNXBMFYSA-N 0 3 386.565 3.243 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643996 1434253005 /nfs/dbraw/zinc/25/30/05/1434253005.db2.gz SMWQMFWOIXJIER-ZWKOTPCHSA-N 0 3 389.496 3.017 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000265951751 1434287845 /nfs/dbraw/zinc/28/78/45/1434287845.db2.gz NQZPIGJHJHUPOV-QFIPXVFZSA-N 0 3 394.519 3.145 20 30 GGEDHN Cc1nnc(-c2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2)o1 ZINC000266794466 1434375918 /nfs/dbraw/zinc/37/59/18/1434375918.db2.gz BVGDSBLXEGPCRX-UHFFFAOYSA-N 0 3 389.459 3.121 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266823452 1434379111 /nfs/dbraw/zinc/37/91/11/1434379111.db2.gz XTYWJTNCUDCAGF-HNNXBMFYSA-N 0 3 399.495 3.146 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2c1cccc2O ZINC000266860165 1434382747 /nfs/dbraw/zinc/38/27/47/1434382747.db2.gz YXNSSMKOYPTMPL-FQEVSTJZSA-N 0 3 378.476 3.025 20 30 GGEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC000266952392 1434392165 /nfs/dbraw/zinc/39/21/65/1434392165.db2.gz HJHJUOGBWJERGX-SIKLNZKXSA-N 0 3 395.503 3.256 20 30 GGEDHN C=CCc1cc(C(=O)NC2CCN(CCOC(C)C)CC2)cc(OC)c1OC ZINC000266982994 1434395606 /nfs/dbraw/zinc/39/56/06/1434395606.db2.gz GHARUODSSNFUFV-UHFFFAOYSA-N 0 3 390.524 3.052 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1Cl ZINC000266988577 1434396378 /nfs/dbraw/zinc/39/63/78/1434396378.db2.gz WTYPSAACMAEYBX-YLJYHZDGSA-N 0 3 398.894 3.216 20 30 GGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000267069996 1434404971 /nfs/dbraw/zinc/40/49/71/1434404971.db2.gz QMMQXSUPOXLGGX-DLBZAZTESA-N 0 3 390.409 3.267 20 30 GGEDHN C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000267089032 1434406752 /nfs/dbraw/zinc/40/67/52/1434406752.db2.gz UJEFGKNRBWLFNS-UHFFFAOYSA-N 0 3 389.540 3.282 20 30 GGEDHN C[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccc(C#N)cc1 ZINC000267290851 1434419900 /nfs/dbraw/zinc/41/99/00/1434419900.db2.gz CAMINONVIJCQRW-KRWDZBQOSA-N 0 3 392.503 3.075 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(c3c(C#N)nnc4ccccc43)CC2)C[C@H](C)O1 ZINC000267421613 1434431072 /nfs/dbraw/zinc/43/10/72/1434431072.db2.gz UPXKKQDBKBZYEL-CALCHBBNSA-N 0 3 379.508 3.217 20 30 GGEDHN COc1cc(/C=C/C(=O)N(CCN(C)C)Cc2cccs2)ccc1OCC#N ZINC000267748726 1434460936 /nfs/dbraw/zinc/46/09/36/1434460936.db2.gz QSPXZODWKMMVHF-VQHVLOKHSA-N 0 3 399.516 3.263 20 30 GGEDHN C[C@@H]1CN(CCCCNC(=O)CCCCOc2cccc(C#N)c2)C[C@H](C)O1 ZINC000268010546 1434486661 /nfs/dbraw/zinc/48/66/61/1434486661.db2.gz PFOMKCZSXWGLGQ-KDURUIRLSA-N 0 3 387.524 3.113 20 30 GGEDHN COc1cc(OC)cc(N2CCCN(Cc3ccc(OCC#N)cc3)CC2)c1 ZINC000268314534 1434511423 /nfs/dbraw/zinc/51/14/23/1434511423.db2.gz YSDAZTSGEUPVNE-UHFFFAOYSA-N 0 3 381.476 3.318 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000268661416 1434545168 /nfs/dbraw/zinc/54/51/68/1434545168.db2.gz RJAWJAFKBLEFAT-CQSZACIVSA-N 0 3 387.459 3.195 20 30 GGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268815401 1434560462 /nfs/dbraw/zinc/56/04/62/1434560462.db2.gz KDXAZZCEOALFCJ-KRWDZBQOSA-N 0 3 396.487 3.025 20 30 GGEDHN C#CCOc1ccc([C@@H](C)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 ZINC000268815402 1434560524 /nfs/dbraw/zinc/56/05/24/1434560524.db2.gz KDXAZZCEOALFCJ-QGZVFWFLSA-N 0 3 396.487 3.025 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(Cl)c1 ZINC000269146802 1434597461 /nfs/dbraw/zinc/59/74/61/1434597461.db2.gz PPYQBRDESDEMFV-MJGOQNOKSA-N 0 3 398.894 3.216 20 30 GGEDHN C#CC[C@@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccccc1 ZINC000270163246 1434708703 /nfs/dbraw/zinc/70/87/03/1434708703.db2.gz AKZBZKDWFJNTHR-HSZRJFAPSA-N 0 3 390.531 3.495 20 30 GGEDHN Cc1cc(CN(C)C)cc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 ZINC000270357414 1434726108 /nfs/dbraw/zinc/72/61/08/1434726108.db2.gz FNPDMPFYRNFGEY-UHFFFAOYSA-N 0 3 390.491 3.159 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270486024 1434738169 /nfs/dbraw/zinc/73/81/69/1434738169.db2.gz JGFWRTKKNZAATI-QFIPXVFZSA-N 0 3 377.488 3.266 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270486020 1434738195 /nfs/dbraw/zinc/73/81/95/1434738195.db2.gz JGFWRTKKNZAATI-JOCHJYFZSA-N 0 3 377.488 3.266 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270951218 1434790349 /nfs/dbraw/zinc/79/03/49/1434790349.db2.gz XMNKKPTZJASPHZ-UXHICEINSA-N 0 3 386.540 3.225 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000270951223 1434790566 /nfs/dbraw/zinc/79/05/66/1434790566.db2.gz XMNKKPTZJASPHZ-WOJBJXKFSA-N 0 3 386.540 3.225 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000271040194 1434797881 /nfs/dbraw/zinc/79/78/81/1434797881.db2.gz RIRJDEZUIREWOI-NRFANRHFSA-N 0 3 381.907 3.480 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000271040196 1434797909 /nfs/dbraw/zinc/79/79/09/1434797909.db2.gz RIRJDEZUIREWOI-OAQYLSRUSA-N 0 3 381.907 3.480 20 30 GGEDHN COc1cc([C@@H](C)NCCNC(=O)C2N=CC=CC2=O)ccc1SC(F)F ZINC000271452279 1434825869 /nfs/dbraw/zinc/82/58/69/1434825869.db2.gz IKDAVCUYRDTGHN-RRGFCBMYSA-N 0 3 397.447 3.187 20 30 GGEDHN C#CC[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457858 1434826444 /nfs/dbraw/zinc/82/64/44/1434826444.db2.gz HABPLSOUVBGWFK-XMSQKQJNSA-N 0 3 398.528 3.123 20 30 GGEDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837899 1434853947 /nfs/dbraw/zinc/85/39/47/1434853947.db2.gz GFLCAPBSRWUXCT-DRWCTHJISA-N 0 3 385.414 3.490 20 30 GGEDHN CC(=O)N1CCN(c2ccccc2CN[C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000271871414 1434856128 /nfs/dbraw/zinc/85/61/28/1434856128.db2.gz MRWXVAZXDBECNE-SFHVURJKSA-N 0 3 392.503 3.108 20 30 GGEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000271874221 1434856342 /nfs/dbraw/zinc/85/63/42/1434856342.db2.gz NPWRCMDYXHOPQH-BTYIYWSLSA-N 0 3 376.460 3.078 20 30 GGEDHN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](C)c1ccc(OCC#N)cc1 ZINC000271874224 1434856424 /nfs/dbraw/zinc/85/64/24/1434856424.db2.gz NPWRCMDYXHOPQH-VFNWGFHPSA-N 0 3 376.460 3.078 20 30 GGEDHN C#CCCN1CCN(C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032247 1434867538 /nfs/dbraw/zinc/86/75/38/1434867538.db2.gz PHGUVPREFNHVLV-RPBOFIJWSA-N 0 3 392.543 3.103 20 30 GGEDHN CN1CC[C@@H]2CCN(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[C@H]2C1 ZINC000272273441 1434883181 /nfs/dbraw/zinc/88/31/81/1434883181.db2.gz CREMEFRKTKFXON-AEFFLSMTSA-N 0 3 381.505 3.163 20 30 GGEDHN Cc1ccccc1NC(=O)C[C@H](C)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272496616 1434900652 /nfs/dbraw/zinc/90/06/52/1434900652.db2.gz DAFCKOWILKMLPF-UWJYYQICSA-N 0 3 390.487 3.369 20 30 GGEDHN C=CCN(CCc1ccco1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000272579140 1434910081 /nfs/dbraw/zinc/91/00/81/1434910081.db2.gz MDMGTXNMWJIXSP-UHFFFAOYSA-N 0 3 397.519 3.177 20 30 GGEDHN COCC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(C)o1 ZINC000272601804 1434913363 /nfs/dbraw/zinc/91/33/63/1434913363.db2.gz XVBFQKOMPPQRSZ-HXUWFJFHSA-N 0 3 398.507 3.311 20 30 GGEDHN CC(=O)Nc1ccc([C@@H](C)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000272716247 1434925642 /nfs/dbraw/zinc/92/56/42/1434925642.db2.gz DAZAWHJTIRDQQA-QVKFZJNVSA-N 0 3 376.460 3.363 20 30 GGEDHN C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1=CCN(C)CC1 ZINC000272904751 1434940042 /nfs/dbraw/zinc/94/00/42/1434940042.db2.gz CSOJFRPVMTWZAW-CQSZACIVSA-N 0 3 381.505 3.377 20 30 GGEDHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C2=CCN(C)CC2)cc1 ZINC000273024144 1434951629 /nfs/dbraw/zinc/95/16/29/1434951629.db2.gz UFQJXZSSBNFCJC-KRWDZBQOSA-N 0 3 382.508 3.273 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN(C)C[C@@H](C)c2nccs2)c(OC)c1 ZINC000273097825 1434960601 /nfs/dbraw/zinc/96/06/01/1434960601.db2.gz VAABYDMRWGQXPW-NVXWUHKLSA-N 0 3 376.522 3.355 20 30 GGEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273392085 1434985686 /nfs/dbraw/zinc/98/56/86/1434985686.db2.gz FJMYIFGICYZQOK-LEWJYISDSA-N 0 3 381.451 3.166 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273429887 1434988194 /nfs/dbraw/zinc/98/81/94/1434988194.db2.gz UIYJSGJKVBOODZ-WOJBJXKFSA-N 0 3 375.488 3.386 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273621697 1435000249 /nfs/dbraw/zinc/00/02/49/1435000249.db2.gz REVUFASAFFWUHU-VQTJNVASSA-N 0 3 375.488 3.338 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000273621698 1435000365 /nfs/dbraw/zinc/00/03/65/1435000365.db2.gz REVUFASAFFWUHU-WOJBJXKFSA-N 0 3 375.488 3.338 20 30 GGEDHN CC1(C)CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[C@@H]1O ZINC000275396196 1435136440 /nfs/dbraw/zinc/13/64/40/1435136440.db2.gz DGBXKSOLCHNYRH-KRWDZBQOSA-N 0 3 375.538 3.310 20 30 GGEDHN CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc(OC)c(OCCCC#N)c1 ZINC000275683219 1435159313 /nfs/dbraw/zinc/15/93/13/1435159313.db2.gz WLSQAGLOBZZRGC-PXNSSMCTSA-N 0 3 384.480 3.214 20 30 GGEDHN N#Cc1cccc(NC(=O)C2CCN(CCOCC(F)(F)C(F)F)CC2)c1 ZINC000276143677 1435193719 /nfs/dbraw/zinc/19/37/19/1435193719.db2.gz BCGMDGGAZWRJOB-UHFFFAOYSA-N 0 3 387.377 3.126 20 30 GGEDHN N#CCOc1cccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000277418277 1435303219 /nfs/dbraw/zinc/30/32/19/1435303219.db2.gz GYUQQYZNRVOAON-NRFANRHFSA-N 0 3 394.475 3.002 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1Cl ZINC000277949206 1435344934 /nfs/dbraw/zinc/34/49/34/1435344934.db2.gz ZVVXMZVECRQQFD-MLGOLLRUSA-N 0 3 389.805 3.175 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CO)(Cc3ccccc3)CC2)CC1 ZINC000278046599 1435353649 /nfs/dbraw/zinc/35/36/49/1435353649.db2.gz CQEBCJVECSBSQV-UHFFFAOYSA-N 0 3 385.552 3.054 20 30 GGEDHN C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000278751650 1435420042 /nfs/dbraw/zinc/42/00/42/1435420042.db2.gz AXRACRDEXWMGSR-INIZCTEOSA-N 0 3 377.492 3.298 20 30 GGEDHN C=C(C)[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000279117303 1435461964 /nfs/dbraw/zinc/46/19/64/1435461964.db2.gz WOPOFGZYDFYIDV-QRWLVFNGSA-N 0 3 393.478 3.477 20 30 GGEDHN C=C(C)[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000279117302 1435462004 /nfs/dbraw/zinc/46/20/04/1435462004.db2.gz WOPOFGZYDFYIDV-MGPUTAFESA-N 0 3 393.478 3.477 20 30 GGEDHN C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279370724 1435491973 /nfs/dbraw/zinc/49/19/73/1435491973.db2.gz IXFGGOYMGFAXGZ-MRXNPFEDSA-N 0 3 398.511 3.204 20 30 GGEDHN CCn1nccc1C1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279474114 1435503071 /nfs/dbraw/zinc/50/30/71/1435503071.db2.gz SMYCYDCBFQXWSG-UHFFFAOYSA-N 0 3 389.507 3.455 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000280170868 1435602992 /nfs/dbraw/zinc/60/29/92/1435602992.db2.gz XPCRCAPXSCREAQ-FQEVSTJZSA-N 0 3 387.487 3.021 20 30 GGEDHN Cc1oc(C#N)cc1C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000280494868 1435669583 /nfs/dbraw/zinc/66/95/83/1435669583.db2.gz CAMFBSFGAGTFHX-UHFFFAOYSA-N 0 3 380.492 3.100 20 30 GGEDHN Cc1oc(C#N)cc1C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000280621911 1435691335 /nfs/dbraw/zinc/69/13/35/1435691335.db2.gz LDSXXGBTWKPOAR-UHFFFAOYSA-N 0 3 387.867 3.386 20 30 GGEDHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000280671026 1435700875 /nfs/dbraw/zinc/70/08/75/1435700875.db2.gz PWSRPILODNRACT-WIYYLYMNSA-N 0 3 386.540 3.240 20 30 GGEDHN N#Cc1cccc(-n2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000281057314 1435764726 /nfs/dbraw/zinc/76/47/26/1435764726.db2.gz TVKFIXFAHHVGAM-UHFFFAOYSA-N 0 3 385.471 3.138 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281131791 1435781266 /nfs/dbraw/zinc/78/12/66/1435781266.db2.gz XTFJORZUTKJECX-SFHVURJKSA-N 0 3 384.524 3.122 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000281131791 1435781267 /nfs/dbraw/zinc/78/12/67/1435781267.db2.gz XTFJORZUTKJECX-SFHVURJKSA-N 0 3 384.524 3.122 20 30 GGEDHN C=CCC[C@@H](NCc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccccc1 ZINC000281360485 1435805577 /nfs/dbraw/zinc/80/55/77/1435805577.db2.gz SGKVWSXIWDAMET-HXUWFJFHSA-N 0 3 375.538 3.342 20 30 GGEDHN Cc1ccc([C@@H](NCCCC2(C#N)CCOCC2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000281410017 1435807738 /nfs/dbraw/zinc/80/77/38/1435807738.db2.gz RCAGFRNWRZYELS-MJGOQNOKSA-N 0 3 378.538 3.159 20 30 GGEDHN COc1cc(CN[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)ccc1C#N ZINC000281823005 1435823181 /nfs/dbraw/zinc/82/31/81/1435823181.db2.gz XCTQHFGXORBWID-INIZCTEOSA-N 0 3 382.483 3.309 20 30 GGEDHN C=C(C)Cn1c(-c2ccc(C)s2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000283272178 1435882284 /nfs/dbraw/zinc/88/22/84/1435882284.db2.gz MZEJPRGJBULWFT-UHFFFAOYSA-N 0 3 387.553 3.192 20 30 GGEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccccn1 ZINC000284401746 1436018938 /nfs/dbraw/zinc/01/89/38/1436018938.db2.gz ZRNKHLIYVJDISO-UHFFFAOYSA-N 0 3 386.569 3.034 20 30 GGEDHN COc1c(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc(Cl)cc1C(N)=O ZINC000284506673 1436026682 /nfs/dbraw/zinc/02/66/82/1436026682.db2.gz YBHSPHSBFFOMGY-UHFFFAOYSA-N 0 3 398.894 3.396 20 30 GGEDHN N#Cc1c2c(cnc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164911325 721567296 /nfs/dbraw/zinc/56/72/96/721567296.db2.gz YXQAHKWOGRSFOB-QUCCMNQESA-N 0 3 392.478 3.313 20 30 GGEDHN COc1cc(C#N)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164904859 721708424 /nfs/dbraw/zinc/70/84/24/721708424.db2.gz DNSOSCMOAVCQEV-FQEVSTJZSA-N 0 3 399.445 3.095 20 30 GGEDHN N#Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc2ccccc12 ZINC001164984990 722139742 /nfs/dbraw/zinc/13/97/42/722139742.db2.gz YRYKVFBCNKSDLT-AUSIDOKSSA-N 0 3 399.498 3.229 20 30 GGEDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1C#N ZINC001164971112 722155580 /nfs/dbraw/zinc/15/55/80/722155580.db2.gz AQTVUQRVBQOHEE-YLJYHZDGSA-N 0 3 397.910 3.037 20 30 GGEDHN C=C(C)C[NH+]1CCC(Nc2c(Br)cccc2-c2nnn[n-]2)CC1 ZINC001573294160 946979721 /nfs/dbraw/zinc/97/97/21/946979721.db2.gz WXYFIEMVXOULJT-UHFFFAOYSA-N 0 3 377.290 3.082 20 30 GGEDHN C=C(C)C[NH+]1CCC(Nc2c(Br)cccc2-c2nn[n-]n2)CC1 ZINC001573294160 946979733 /nfs/dbraw/zinc/97/97/33/946979733.db2.gz WXYFIEMVXOULJT-UHFFFAOYSA-N 0 3 377.290 3.082 20 30 GGEDHN C=CC[NH+](CC=C)[C@H](CNc1nc(C)c(-c2nnn[n-]2)cc1Cl)C(C)C ZINC001573340882 947520451 /nfs/dbraw/zinc/52/04/51/947520451.db2.gz BZMWUTLVRXLLOU-MRXNPFEDSA-N 0 3 375.908 3.334 20 30 GGEDHN C=CC[NH+](CC=C)[C@H](CNc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(C)C ZINC001573340882 947520463 /nfs/dbraw/zinc/52/04/63/947520463.db2.gz BZMWUTLVRXLLOU-MRXNPFEDSA-N 0 3 375.908 3.334 20 30 GGEDHN CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC001574099472 949174298 /nfs/dbraw/zinc/17/42/98/949174298.db2.gz KXSZAWGEJXUPEV-FQEVSTJZSA-N 0 3 387.491 3.085 20 30 GGEDHN CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC001574099472 949174309 /nfs/dbraw/zinc/17/43/09/949174309.db2.gz KXSZAWGEJXUPEV-FQEVSTJZSA-N 0 3 387.491 3.085 20 30 GGEDHN CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC001574099472 949174321 /nfs/dbraw/zinc/17/43/21/949174321.db2.gz KXSZAWGEJXUPEV-FQEVSTJZSA-N 0 3 387.491 3.085 20 30 GGEDHN CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC001574099472 949174331 /nfs/dbraw/zinc/17/43/31/949174331.db2.gz KXSZAWGEJXUPEV-FQEVSTJZSA-N 0 3 387.491 3.085 20 30 GGEDHN CC[C@@](C)(C(=O)[O-])[N@@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778483 981777997 /nfs/dbraw/zinc/77/79/97/981777997.db2.gz SSEZJERNWVXSFW-XOBRGWDASA-N 0 3 385.489 3.438 20 30 GGEDHN CC[C@@](C)(C(=O)[O-])[N@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778483 981777998 /nfs/dbraw/zinc/77/79/98/981777998.db2.gz SSEZJERNWVXSFW-XOBRGWDASA-N 0 3 385.489 3.438 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 ZINC000025305195 519146304 /nfs/dbraw/zinc/14/63/04/519146304.db2.gz RJYKJSUGJDFTRW-JOCHJYFZSA-N 0 3 394.515 3.049 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nc2ccsc2c1=O ZINC000023053649 564322340 /nfs/dbraw/zinc/32/23/40/564322340.db2.gz CYDJQWDGVMGUKF-JTQLQIEISA-N 0 3 390.515 3.211 20 30 GGEDHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410345 564324248 /nfs/dbraw/zinc/32/42/48/564324248.db2.gz XUKRKNINYBKRPS-DYVFJYSZSA-N 0 3 375.266 3.411 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@](C)(O)CSC)cc1OC ZINC000120662043 564331581 /nfs/dbraw/zinc/33/15/81/564331581.db2.gz KKPLQMQHYNSDPP-INIZCTEOSA-N 0 3 390.343 3.226 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532693 564382267 /nfs/dbraw/zinc/38/22/67/564382267.db2.gz JBFIYLUFIUJBEC-GUYCJALGSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000030532655 564382705 /nfs/dbraw/zinc/38/27/05/564382705.db2.gz UTGROLRBXIWTAO-CXAGYDPISA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000030532687 564382726 /nfs/dbraw/zinc/38/27/26/564382726.db2.gz JBFIYLUFIUJBEC-CXAGYDPISA-N 0 3 375.266 3.411 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000122036157 564397136 /nfs/dbraw/zinc/39/71/36/564397136.db2.gz ZDBXKOYHDOGIQD-UHFFFAOYSA-N 0 3 396.285 3.436 20 30 GGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000123014170 564435547 /nfs/dbraw/zinc/43/55/47/564435547.db2.gz NCJREGOGPIPELW-NSHDSACASA-N 0 3 384.910 3.069 20 30 GGEDHN Cc1cc(Br)oc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000044566577 564469437 /nfs/dbraw/zinc/46/94/37/564469437.db2.gz MTJJCDIQFBKNFW-UHFFFAOYSA-N 0 3 390.281 3.426 20 30 GGEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125633532 564521022 /nfs/dbraw/zinc/52/10/22/564521022.db2.gz CACYBNGJPKRMFQ-ZWKOTPCHSA-N 0 3 375.266 3.020 20 30 GGEDHN N#CC(C(=O)c1cc(F)cc(Br)c1)c1nnc2n1CCCCC2 ZINC000054726966 564608078 /nfs/dbraw/zinc/60/80/78/564608078.db2.gz LKCJMJLWSTZFAZ-CYBMUJFWSA-N 0 3 377.217 3.396 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2COc3ccc(Br)cc32)CC1 ZINC000130890461 564696091 /nfs/dbraw/zinc/69/60/91/564696091.db2.gz PLQOMVITJOLEKJ-MRXNPFEDSA-N 0 3 379.298 3.082 20 30 GGEDHN C=C(C)CN(CC)C(=O)CNC1(c2cccc(Br)c2)CCOCC1 ZINC000104676568 564958405 /nfs/dbraw/zinc/95/84/05/564958405.db2.gz GVTOMZZIJVJNKZ-UHFFFAOYSA-N 0 3 395.341 3.469 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(I)cc2)CC1 ZINC000106039470 564976921 /nfs/dbraw/zinc/97/69/21/564976921.db2.gz CKIZSDVVDUHCCJ-UHFFFAOYSA-N 0 3 384.261 3.062 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccc(Br)cc2)CC1 ZINC000106040344 564977074 /nfs/dbraw/zinc/97/70/74/564977074.db2.gz FUDZMROREUKNLS-AWEZNQCLSA-N 0 3 381.314 3.373 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2cc(Br)ccc2F)CC1 ZINC000106266994 564981166 /nfs/dbraw/zinc/98/11/66/564981166.db2.gz WGESJOXHHNBJNV-UHFFFAOYSA-N 0 3 398.320 3.470 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2csc(I)c2)CC1 ZINC000107597106 565000731 /nfs/dbraw/zinc/00/07/31/565000731.db2.gz BSVXIXTUQKKWAK-UHFFFAOYSA-N 0 3 390.290 3.123 20 30 GGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCCN1CCN(C)CC1 ZINC000154032393 565022813 /nfs/dbraw/zinc/02/28/13/565022813.db2.gz SEWJQADJUWGIKW-UHFFFAOYSA-N 0 3 384.977 3.127 20 30 GGEDHN CC(C)[C@@](C)(C#N)NC(=O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000109818664 565032289 /nfs/dbraw/zinc/03/22/89/565032289.db2.gz ORHGDWPQUJWPSX-GOSISDBHSA-N 0 3 380.330 3.414 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cccc(I)c2C)CC1 ZINC000155968636 565073459 /nfs/dbraw/zinc/07/34/59/565073459.db2.gz PTXVTEPSQCYHPU-UHFFFAOYSA-N 0 3 398.288 3.370 20 30 GGEDHN CN1CCN(CC2(C)CCN(c3ccc(Br)cc3C#N)CC2)CC1 ZINC000369390726 565091099 /nfs/dbraw/zinc/09/10/99/565091099.db2.gz DORONGVFBSIWMY-UHFFFAOYSA-N 0 3 391.357 3.175 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCC(Oc2cccc(Br)c2)CC1 ZINC000183819134 565096485 /nfs/dbraw/zinc/09/64/85/565096485.db2.gz AONZNLLHPFVSDZ-UHFFFAOYSA-N 0 3 394.313 3.054 20 30 GGEDHN C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CCN(C)CC1 ZINC000156698862 565101055 /nfs/dbraw/zinc/10/10/55/565101055.db2.gz SIJPAXIRRFNIRC-UHFFFAOYSA-N 0 3 384.293 3.380 20 30 GGEDHN O=C(c1ccc(Cl)s1)C(C(=S)[N-]C1CCC1)[n+]1cccc(CO)c1 ZINC000292291999 565108743 /nfs/dbraw/zinc/10/87/43/565108743.db2.gz JNZLNTYQFDSHJK-UHFFFAOYSA-O 0 3 381.930 3.262 20 30 GGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267989830 565137506 /nfs/dbraw/zinc/13/75/06/565137506.db2.gz RAIMZCUYCKVITN-KBXCAEBGSA-N 0 3 378.567 3.497 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089529 565141091 /nfs/dbraw/zinc/14/10/91/565141091.db2.gz ZUVXHBYRMMEFKT-SJKOYZFVSA-N 0 3 386.323 3.365 20 30 GGEDHN CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](O)c1ccccc1Br ZINC000295314323 565258792 /nfs/dbraw/zinc/25/87/92/565258792.db2.gz LLNIGOYYKXRSID-QZTJIDSGSA-N 0 3 375.266 3.020 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)CC1 ZINC000372974047 565262985 /nfs/dbraw/zinc/26/29/85/565262985.db2.gz BOSRORBOMRXXTA-CHWSQXEVSA-N 0 3 384.343 3.316 20 30 GGEDHN C=CCS(=O)(=O)CCN[C@@H](CCCOC)c1ccc(Br)cc1 ZINC000272907052 565302301 /nfs/dbraw/zinc/30/23/01/565302301.db2.gz WEPCJKZJTIIUTI-INIZCTEOSA-N 0 3 390.343 3.107 20 30 GGEDHN CS[C@@H]1CN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1N(C)C ZINC000273755896 565334382 /nfs/dbraw/zinc/33/43/82/565334382.db2.gz UKQOWHOKBWITDU-JLJPHGGASA-N 0 3 378.567 3.448 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@H](O)c1cccc(Br)c1 ZINC000298463008 565415519 /nfs/dbraw/zinc/41/55/19/565415519.db2.gz RSAYIPGWQKXXAT-ROUUACIJSA-N 0 3 375.266 3.020 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3cc(Br)ccc3C2)CC1 ZINC000188691752 565418333 /nfs/dbraw/zinc/41/83/33/565418333.db2.gz BCRGWHSTSLUJHV-UHFFFAOYSA-N 0 3 378.314 3.167 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H](C)Oc2ccc(F)cc2Br)CC1 ZINC000171718613 565446776 /nfs/dbraw/zinc/44/67/76/565446776.db2.gz JJNSIOHOIASLQP-LBPRGKRZSA-N 0 3 385.277 3.122 20 30 GGEDHN CN1CCC(N(Cc2ccccc2Br)C(=O)CSCC#N)CC1 ZINC000377308650 565474320 /nfs/dbraw/zinc/47/43/20/565474320.db2.gz ZPGZFUMCMFRLFX-UHFFFAOYSA-N 0 3 396.354 3.129 20 30 GGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccccc3Br)CC2)CC1 ZINC000172607208 565493968 /nfs/dbraw/zinc/49/39/68/565493968.db2.gz CJKXTNGJHDNRAW-UHFFFAOYSA-N 0 3 392.341 3.430 20 30 GGEDHN CCN1CCN(Cc2ccc(CNc3snc(Cl)c3C#N)cc2)CC1 ZINC000301540809 565493878 /nfs/dbraw/zinc/49/38/78/565493878.db2.gz SAAZHNGSMHIQNC-UHFFFAOYSA-N 0 3 375.929 3.418 20 30 GGEDHN C=CCN1CCC(NC(=O)NC2(c3cccc(Br)c3)CC2)CC1 ZINC000172622828 565495606 /nfs/dbraw/zinc/49/56/06/565495606.db2.gz PYBLNKPTOBFQNB-UHFFFAOYSA-N 0 3 378.314 3.388 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCc3sccc3C2)cc1 ZINC000278587742 565566740 /nfs/dbraw/zinc/56/67/40/565566740.db2.gz KSAXWMFBLQJCPI-GFCCVEGCSA-N 0 3 375.475 3.024 20 30 GGEDHN C[C@H]1CN(C2CCOCC2)CCN1Cc1ccc(C#N)cc1Br ZINC000278631425 565569559 /nfs/dbraw/zinc/56/95/59/565569559.db2.gz KXVMVVFSDOTDFF-AWEZNQCLSA-N 0 3 378.314 3.006 20 30 GGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752944 565576721 /nfs/dbraw/zinc/57/67/21/565576721.db2.gz XEKMXGNEGZTWFG-UMVBOHGHSA-N 0 3 377.286 3.187 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000408072973 565593758 /nfs/dbraw/zinc/59/37/58/565593758.db2.gz JPPBHHNZCLFSMT-LZWOXQAQSA-N 0 3 381.929 3.238 20 30 GGEDHN CN(Cc1cccc(Br)c1)C[C@@H](O)COc1ccccc1C#N ZINC000320626440 565603358 /nfs/dbraw/zinc/60/33/58/565603358.db2.gz CWQSCQJIVKUSKX-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccccc1C#N)c1ccc(Br)cc1 ZINC000320981449 565604033 /nfs/dbraw/zinc/60/40/33/565604033.db2.gz BINSPPWPYOBGAF-GUYCJALGSA-N 0 3 375.266 3.411 20 30 GGEDHN CN(Cc1ccc(Br)cc1)C[C@H](O)COc1ccccc1C#N ZINC000321565506 565605851 /nfs/dbraw/zinc/60/58/51/565605851.db2.gz NFNWXGZSVSPNDM-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN COc1cccc([C@H](CNc2ncc(Br)cc2C#N)N(C)C)c1 ZINC000323313197 565612987 /nfs/dbraw/zinc/61/29/87/565612987.db2.gz GLKLLLNOHDIWQO-INIZCTEOSA-N 0 3 375.270 3.439 20 30 GGEDHN COCCN1CCC(NC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000328618264 565635647 /nfs/dbraw/zinc/63/56/47/565635647.db2.gz UZDOPNJLLLSECH-DOTOQJQBSA-N 0 3 386.323 3.464 20 30 GGEDHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000328757321 565640458 /nfs/dbraw/zinc/64/04/58/565640458.db2.gz UYOMDHYECNMZNR-HZPDHXFCSA-N 0 3 394.313 3.243 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)N[C@H]2COc3cc(F)c(Br)cc32)CN1C1CC1 ZINC000328808999 565641985 /nfs/dbraw/zinc/64/19/85/565641985.db2.gz MJTGGBLQJPGRJY-FTGAXOIBSA-N 0 3 398.276 3.151 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)Nc2ccc3nccnc3c2Br)CCN1C ZINC000329418079 565665791 /nfs/dbraw/zinc/66/57/91/565665791.db2.gz GELWGTJASKVBLR-GHMZBOCLSA-N 0 3 378.274 3.201 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)Nc2ccc3nccnc3c2Br)CCN1C ZINC000329418080 565666547 /nfs/dbraw/zinc/66/65/47/565666547.db2.gz GELWGTJASKVBLR-MNOVXSKESA-N 0 3 378.274 3.201 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000192347306 565681849 /nfs/dbraw/zinc/68/18/49/565681849.db2.gz TWVYUCWSJGESGE-UHFFFAOYSA-N 0 3 382.258 3.128 20 30 GGEDHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc(Br)cn1 ZINC000280585990 565682782 /nfs/dbraw/zinc/68/27/82/565682782.db2.gz TXVIYPVWAZEYQZ-GFCCVEGCSA-N 0 3 376.254 3.454 20 30 GGEDHN Cc1ncsc1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000329894689 565684359 /nfs/dbraw/zinc/68/43/59/565684359.db2.gz BLXIZJOEZYOWSS-UHFFFAOYSA-N 0 3 376.448 3.260 20 30 GGEDHN [O-]C(N[C@H]1CCc2c1cccc2Br)=[NH+]C[C@@H]1CCc2nccn2C1 ZINC000329956787 565687608 /nfs/dbraw/zinc/68/76/08/565687608.db2.gz PDXSFTUFCKNUHL-LRDDRELGSA-N 0 3 389.297 3.399 20 30 GGEDHN O=C(NC[C@@H]1CCc2nccn2C1)N[C@H]1CCc2c1cccc2Br ZINC000329956787 565687610 /nfs/dbraw/zinc/68/76/10/565687610.db2.gz PDXSFTUFCKNUHL-LRDDRELGSA-N 0 3 389.297 3.399 20 30 GGEDHN CC(C(=O)N[C@@H]1CCSc2c(F)cccc21)S(=O)(=O)C1CCOCC1 ZINC000330108333 565691924 /nfs/dbraw/zinc/69/19/24/565691924.db2.gz NMVLSWDEKKEBIV-IAQYHMDHSA-N 0 3 387.498 3.301 20 30 GGEDHN CC(C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)S(=O)(=O)C1CCOCC1 ZINC000330155229 565695144 /nfs/dbraw/zinc/69/51/44/565695144.db2.gz NXVLVCJMLTVICJ-IFUGULHKSA-N 0 3 389.876 3.274 20 30 GGEDHN NC(=O)c1ccc(NC(=O)CCN2CCS[C@H]3COCC[C@@H]32)cc1Cl ZINC000330182420 565697599 /nfs/dbraw/zinc/69/75/99/565697599.db2.gz OYTCURWUCTWYGY-GJZGRUSLSA-N 0 3 383.901 3.408 20 30 GGEDHN Cc1nc(C(=O)NC2CCN(CCOC(C)C)CC2)c(Br)s1 ZINC000330654808 565717173 /nfs/dbraw/zinc/71/71/73/565717173.db2.gz KEZDYZQKONIQNB-UHFFFAOYSA-N 0 3 390.347 3.408 20 30 GGEDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(Cl)c(Br)c1 ZINC000331358966 565756434 /nfs/dbraw/zinc/75/64/34/565756434.db2.gz VWJBOHCPCVPBRS-GFCCVEGCSA-N 0 3 375.694 3.254 20 30 GGEDHN O=C(N[C@@H](CO)CN1CCCCC1)c1ccc(Cl)cc1Br ZINC000331357498 565756708 /nfs/dbraw/zinc/75/67/08/565756708.db2.gz UABOHYFEWSDYHQ-GFCCVEGCSA-N 0 3 375.694 3.254 20 30 GGEDHN N#Cc1cccc(C(=O)N2CCCN(CC3CCC3)CC2)c1Br ZINC000412310991 565781076 /nfs/dbraw/zinc/78/10/76/565781076.db2.gz FAFMRIZZQIGRNK-UHFFFAOYSA-N 0 3 376.298 3.269 20 30 GGEDHN CC1([N-]C(=S)C(C(=O)c2ccc(Cl)s2)[n+]2cccc(CO)c2)CC1 ZINC000284477402 565855198 /nfs/dbraw/zinc/85/51/98/565855198.db2.gz RPHUPLLPPTYOLT-UHFFFAOYSA-O 0 3 381.930 3.262 20 30 GGEDHN CCN(CC)S(=O)(=O)c1ccc(CCNCc2cc(C#N)cs2)s1 ZINC000177696250 565867937 /nfs/dbraw/zinc/86/79/37/565867937.db2.gz WTXSBIYPRMLFJV-UHFFFAOYSA-N 0 3 383.564 3.044 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3cc(Br)cc(F)c32)CC1 ZINC000177868920 565878192 /nfs/dbraw/zinc/87/81/92/565878192.db2.gz DHZJFQYYXXFTHK-UHFFFAOYSA-N 0 3 382.277 3.311 20 30 GGEDHN Cn1cc(CN2CC[C@]3(C)[C@H](C2)C3(Br)Br)cc1C#N ZINC000285188043 565893381 /nfs/dbraw/zinc/89/33/81/565893381.db2.gz QLPCZDGOYUQPOG-QWHCGFSZSA-N 0 3 387.119 3.225 20 30 GGEDHN CC(C)Sc1cc(Br)ccc1CNCCn1cnc(C#N)n1 ZINC000285352869 565902536 /nfs/dbraw/zinc/90/25/36/565902536.db2.gz AZJUWUWRWBSFFZ-UHFFFAOYSA-N 0 3 380.315 3.203 20 30 GGEDHN N#CCCn1cc(CNCCn2cc(Br)cn2)c(-c2ccccc2)n1 ZINC000285387150 565904240 /nfs/dbraw/zinc/90/42/40/565904240.db2.gz CZMYVYMQZDFSAB-UHFFFAOYSA-N 0 3 399.296 3.213 20 30 GGEDHN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CC[NH+](CC2CCCC2)CC1 ZINC000178527369 565924936 /nfs/dbraw/zinc/92/49/36/565924936.db2.gz GOPHIUBPLSSBCR-UHFFFAOYSA-N 0 3 381.929 3.145 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000178774925 565936508 /nfs/dbraw/zinc/93/65/08/565936508.db2.gz GGJUIGLMAWZFMZ-CYBMUJFWSA-N 0 3 398.320 3.469 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 ZINC000286360592 565955033 /nfs/dbraw/zinc/95/50/33/565955033.db2.gz BZCAFDIAIVSGOU-AWEZNQCLSA-N 0 3 383.945 3.126 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCSC(C)(C)CC2)cc1 ZINC000287478847 566021426 /nfs/dbraw/zinc/02/14/26/566021426.db2.gz YTQJNBDKLDTCSB-CYBMUJFWSA-N 0 3 381.523 3.122 20 30 GGEDHN C[C@H](C#N)S(=O)(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)N2C ZINC000416482793 566074022 /nfs/dbraw/zinc/07/40/22/566074022.db2.gz ZVXWEMQIBLGNGL-GJLUPPFNSA-N 0 3 381.929 3.085 20 30 GGEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1cccc(Br)c1 ZINC000180881882 566096383 /nfs/dbraw/zinc/09/63/83/566096383.db2.gz OMFDROGVWYOKDO-HYEKCJMVSA-N 0 3 378.270 3.016 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182023017 566177795 /nfs/dbraw/zinc/17/77/95/566177795.db2.gz PEOFBKWTAJGQLH-CZUORRHYSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182022995 566178100 /nfs/dbraw/zinc/17/81/00/566178100.db2.gz PEOFBKWTAJGQLH-XJKSGUPXSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccccc1Br)c1cccc(C#N)c1 ZINC000182022957 566178732 /nfs/dbraw/zinc/17/87/32/566178732.db2.gz PEOFBKWTAJGQLH-BBRMVZONSA-N 0 3 375.266 3.411 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(Br)ccc2OC)CC1 ZINC000264340877 566212214 /nfs/dbraw/zinc/21/22/14/566212214.db2.gz IKPBLBQOJVYUGD-UHFFFAOYSA-N 0 3 396.329 3.250 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(F)c(Br)cc2OCC)CC1 ZINC000291612932 566227797 /nfs/dbraw/zinc/22/77/97/566227797.db2.gz HMNAYAWYGUCWPI-UHFFFAOYSA-N 0 3 383.261 3.271 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000183018496 566234744 /nfs/dbraw/zinc/23/47/44/566234744.db2.gz PZVXBKNVMHZKBY-HIFRSBDPSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183018459 566234760 /nfs/dbraw/zinc/23/47/60/566234760.db2.gz PZVXBKNVMHZKBY-UKRRQHHQSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000183016593 566234949 /nfs/dbraw/zinc/23/49/49/566234949.db2.gz GYLSXKGYDIHXNJ-ZIAGYGMSSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000183034274 566236040 /nfs/dbraw/zinc/23/60/40/566236040.db2.gz MZFPIQOLYLLCRF-ZIAGYGMSSA-N 0 3 381.929 3.143 20 30 GGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC1(C#N)CCC1 ZINC000419644772 566240842 /nfs/dbraw/zinc/24/08/42/566240842.db2.gz MDDNWUWFIAFZHY-UHFFFAOYSA-N 0 3 393.329 3.216 20 30 GGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(S(C)(=O)=O)cc2)s1 ZINC000419840568 566250602 /nfs/dbraw/zinc/25/06/02/566250602.db2.gz SIMNJZKACVRZMX-CYBMUJFWSA-N 0 3 377.491 3.090 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599362383 566256571 /nfs/dbraw/zinc/25/65/71/566256571.db2.gz KNUVZTMVVYJMCB-UHFFFAOYSA-N 0 3 382.258 3.128 20 30 GGEDHN COC(=O)C1CCN(CCCNc2ccc(C#N)cc2Br)CC1 ZINC000556414436 566298847 /nfs/dbraw/zinc/29/88/47/566298847.db2.gz CCPHFKOKHRTEMF-UHFFFAOYSA-N 0 3 380.286 3.008 20 30 GGEDHN Cc1cc(CNC[C@H](O)COc2ccccc2C#N)ccc1Br ZINC000600735461 566360193 /nfs/dbraw/zinc/36/01/93/566360193.db2.gz JMNOXIWQRXFQMP-INIZCTEOSA-N 0 3 375.266 3.159 20 30 GGEDHN Cc1cc(Br)ccc1CNC[C@@H](O)COc1ccccc1C#N ZINC000600724246 566361209 /nfs/dbraw/zinc/36/12/09/566361209.db2.gz GIOIPWQKUPKTHJ-QGZVFWFLSA-N 0 3 375.266 3.159 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H]2CCCOC2)CC1 ZINC000576609578 566362724 /nfs/dbraw/zinc/36/27/24/566362724.db2.gz HIFKWRNDLGYOFM-MAUKXSAKSA-N 0 3 378.314 3.058 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2ccc(Br)cc2)cc1F ZINC000421398716 566371412 /nfs/dbraw/zinc/37/14/12/566371412.db2.gz STFDRXSQJAAFGB-OAHLLOKOSA-N 0 3 377.257 3.401 20 30 GGEDHN N#Cc1cccc(CN2CCC(NCc3ccncc3Br)CC2)c1 ZINC000601129736 566391989 /nfs/dbraw/zinc/39/19/89/566391989.db2.gz ACZSVDREXPLMPL-UHFFFAOYSA-N 0 3 385.309 3.470 20 30 GGEDHN N#CCSCCCN(CCn1ccnc1)Cc1ccc(Br)o1 ZINC000510890327 566419489 /nfs/dbraw/zinc/41/94/89/566419489.db2.gz PWIOTGQVDBJJNN-UHFFFAOYSA-N 0 3 383.315 3.388 20 30 GGEDHN CN(C)CCOc1cnccc1CNc1cc(Br)c(C#N)cc1F ZINC000577412860 566432609 /nfs/dbraw/zinc/43/26/09/566432609.db2.gz RMCNKPIWBRNAJA-UHFFFAOYSA-N 0 3 393.260 3.407 20 30 GGEDHN N#Cc1ccc(CNCCCNC(=O)c2ccc(Br)cc2)s1 ZINC000537293989 566436173 /nfs/dbraw/zinc/43/61/73/566436173.db2.gz PDGBHHGXCFNJQC-UHFFFAOYSA-N 0 3 378.295 3.292 20 30 GGEDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1 ZINC000558256376 566461565 /nfs/dbraw/zinc/46/15/65/566461565.db2.gz IFTVSCLRQBGOMM-RHSMWYFYSA-N 0 3 375.519 3.124 20 30 GGEDHN CCN(Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602445141 566472533 /nfs/dbraw/zinc/47/25/33/566472533.db2.gz SRVYAPVTCPZQOD-CYBMUJFWSA-N 0 3 377.897 3.442 20 30 GGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc(Br)c2c(c1)OCCO2 ZINC000602528853 566476657 /nfs/dbraw/zinc/47/66/57/566476657.db2.gz LUBJOKRRIKVDKU-ZDUSSCGKSA-N 0 3 395.297 3.409 20 30 GGEDHN N#Cc1cccc(CNC2CCN(Cc3ccc(Br)cc3)CC2)n1 ZINC000602570870 566478143 /nfs/dbraw/zinc/47/81/43/566478143.db2.gz UUTYBIHRLPFQSG-UHFFFAOYSA-N 0 3 385.309 3.470 20 30 GGEDHN N#Cc1cccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1Br ZINC000448890877 566509273 /nfs/dbraw/zinc/50/92/73/566509273.db2.gz NFUBLAGUWPTSNJ-OAHLLOKOSA-N 0 3 376.298 3.411 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424135364 566514108 /nfs/dbraw/zinc/51/41/08/566514108.db2.gz JIDKLFPDMITXQX-RIEGTJTDSA-N 0 3 382.327 3.369 20 30 GGEDHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(C#N)c2Br)C1 ZINC000448943736 566514309 /nfs/dbraw/zinc/51/43/09/566514309.db2.gz AJRNXFPCERKEDH-OAHLLOKOSA-N 0 3 384.277 3.454 20 30 GGEDHN CCOc1ccc(Br)cc1CN(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424133798 566514804 /nfs/dbraw/zinc/51/48/04/566514804.db2.gz HCRJKJCSYPWBCL-MRXNPFEDSA-N 0 3 394.313 3.360 20 30 GGEDHN CN(C(=O)[C@@H](N)CCCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000424148209 566516030 /nfs/dbraw/zinc/51/60/30/566516030.db2.gz ZLDCADDGNNLFFV-KBPBESRZSA-N 0 3 382.327 3.466 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000424179627 566518349 /nfs/dbraw/zinc/51/83/49/566518349.db2.gz ZDYMULCUCUOZMC-QGZVFWFLSA-N 0 3 383.323 3.095 20 30 GGEDHN CC1(C#N)CCC([NH2+]CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000449323773 566548021 /nfs/dbraw/zinc/54/80/21/566548021.db2.gz WZISCPGYRHGLRS-UHFFFAOYSA-N 0 3 390.336 3.334 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)[C@H]2CCC(=O)N(C)C2)cc1OC ZINC000628367944 566551974 /nfs/dbraw/zinc/55/19/74/566551974.db2.gz BFZCZOJSXLKPDJ-AWEZNQCLSA-N 0 3 397.313 3.075 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)[C@@H]2CCC(=O)N(C)C2)cc1OC ZINC000628367945 566552984 /nfs/dbraw/zinc/55/29/84/566552984.db2.gz BFZCZOJSXLKPDJ-CQSZACIVSA-N 0 3 397.313 3.075 20 30 GGEDHN CC(C)(CCC#N)C[NH2+]CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000512896305 566567996 /nfs/dbraw/zinc/56/79/96/566567996.db2.gz UNAOWOWUTCICIV-UHFFFAOYSA-N 0 3 378.325 3.191 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000449596535 566579052 /nfs/dbraw/zinc/57/90/52/566579052.db2.gz BTBVWGLZAOICAL-NSHDSACASA-N 0 3 383.286 3.462 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H](C)CC(=O)NC)cc1OCC ZINC000449604479 566583992 /nfs/dbraw/zinc/58/39/92/566583992.db2.gz TXWDOZXXIHLBIO-GFCCVEGCSA-N 0 3 385.302 3.027 20 30 GGEDHN COc1ccc(Br)cc1C[C@@H](CO)CNCc1ccc(C#N)s1 ZINC000449685488 566592635 /nfs/dbraw/zinc/59/26/35/566592635.db2.gz UVSVESPPASUGLW-GFCCVEGCSA-N 0 3 395.322 3.332 20 30 GGEDHN C=CCC[C@@H](CO)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449696631 566594309 /nfs/dbraw/zinc/59/43/09/566594309.db2.gz INBZZSLJOTVFPG-NSHDSACASA-N 0 3 380.229 3.476 20 30 GGEDHN C=CCC[C@H](CO)NCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000449696630 566594428 /nfs/dbraw/zinc/59/44/28/566594428.db2.gz INBZZSLJOTVFPG-LLVKDONJSA-N 0 3 380.229 3.476 20 30 GGEDHN Cc1ccc(Br)cc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000579584568 566620265 /nfs/dbraw/zinc/62/02/65/566620265.db2.gz SIPNBZIYVCAHID-QGZVFWFLSA-N 0 3 375.266 3.159 20 30 GGEDHN Cc1ccc(Br)cc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000579584567 566620388 /nfs/dbraw/zinc/62/03/88/566620388.db2.gz SIPNBZIYVCAHID-KRWDZBQOSA-N 0 3 375.266 3.159 20 30 GGEDHN C=CCCN(C)Cc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 ZINC000467367066 566641848 /nfs/dbraw/zinc/64/18/48/566641848.db2.gz CAVLRAWBNKJSJD-UHFFFAOYSA-N 0 3 399.329 3.323 20 30 GGEDHN C=CC[C@@H](CO)CN[C@@H]1CCCOc2ccc(I)cc21 ZINC000540397463 566648998 /nfs/dbraw/zinc/64/89/98/566648998.db2.gz IZXGGRSEHDTVLI-IUODEOHRSA-N 0 3 387.261 3.279 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC000450652020 566694520 /nfs/dbraw/zinc/69/45/20/566694520.db2.gz FHPXXOWRLRLCPE-CRAIPNDOSA-N 0 3 378.314 3.058 20 30 GGEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CC[C@H]2CCOC2)CC1 ZINC000450652027 566694749 /nfs/dbraw/zinc/69/47/49/566694749.db2.gz FHPXXOWRLRLCPE-YJBOKZPZSA-N 0 3 378.314 3.058 20 30 GGEDHN C[C@H](Cc1c(Cl)cccc1Cl)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000515166596 566696027 /nfs/dbraw/zinc/69/60/27/566696027.db2.gz WKLBYUKGCPANOO-GFCCVEGCSA-N 0 3 398.315 3.255 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCc2ccc(Cl)cc2Cl)nc1 ZINC000580543325 566702349 /nfs/dbraw/zinc/70/23/49/566702349.db2.gz AXAAECVBEWFJGX-UHFFFAOYSA-N 0 3 398.315 3.256 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3cncc(Br)c3n2)CC1 ZINC000630941164 566766201 /nfs/dbraw/zinc/76/62/01/566766201.db2.gz AQGFVALLUWMQHD-UHFFFAOYSA-N 0 3 389.297 3.163 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCNCCc2c(Cl)cccc2Cl)cc1 ZINC000581345153 566770312 /nfs/dbraw/zinc/77/03/12/566770312.db2.gz GVHAPWQYDBMZEF-UHFFFAOYSA-N 0 3 383.300 3.471 20 30 GGEDHN C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451306961 566792573 /nfs/dbraw/zinc/79/25/73/566792573.db2.gz TWPYWGJPUOAZGX-ZNMIVQPWSA-N 0 3 383.945 3.051 20 30 GGEDHN CC(C)C[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451648704 566856427 /nfs/dbraw/zinc/85/64/27/566856427.db2.gz GGERPKMCMDKZHN-INIZCTEOSA-N 0 3 383.945 3.195 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2I)CC1 ZINC000518006648 566859087 /nfs/dbraw/zinc/85/90/87/566859087.db2.gz HNVNRRKWBIEGFA-UHFFFAOYSA-N 0 3 399.276 3.453 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2cc(OC)ccc2Br)CC1 ZINC000428590305 566860294 /nfs/dbraw/zinc/86/02/94/566860294.db2.gz OKFQWAWUWYPDQF-UHFFFAOYSA-N 0 3 396.329 3.250 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H](CO)CC(F)F)cc1OC ZINC000428645043 566865072 /nfs/dbraw/zinc/86/50/72/566865072.db2.gz BCFFMZPZSLEMKK-NSHDSACASA-N 0 3 380.229 3.128 20 30 GGEDHN N#Cc1cnn2cc(CNCC3(c4ccccc4Br)CC3)cnc12 ZINC000518187972 566869786 /nfs/dbraw/zinc/86/97/86/566869786.db2.gz RUSFWGZFJDDRNX-UHFFFAOYSA-N 0 3 382.265 3.185 20 30 GGEDHN C=CCSCCN[C@H](CN1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000543430052 566880591 /nfs/dbraw/zinc/88/05/91/566880591.db2.gz ZBOWBHHBWTZUBJ-GOSISDBHSA-N 0 3 381.973 3.087 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(Br)s2)cc1 ZINC000470736980 566900694 /nfs/dbraw/zinc/90/06/94/566900694.db2.gz MYARFYQLLSXEAK-CQSZACIVSA-N 0 3 388.290 3.423 20 30 GGEDHN N#Cc1ccccc1OCCN[C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429028751 566903436 /nfs/dbraw/zinc/90/34/36/566903436.db2.gz CXGLAWKOSAELJA-INIZCTEOSA-N 0 3 379.229 3.162 20 30 GGEDHN C=CCSCCN[C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000543754866 566907817 /nfs/dbraw/zinc/90/78/17/566907817.db2.gz XHIXDEPAQQOFEO-OAHLLOKOSA-N 0 3 380.535 3.328 20 30 GGEDHN Cc1cc(CC(C)(C)NCC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000429233036 566915088 /nfs/dbraw/zinc/91/50/88/566915088.db2.gz CTAZQCGZXMAXFR-IBGZPJMESA-N 0 3 392.341 3.477 20 30 GGEDHN CCN(CCC#N)C(=O)CNC(C)(C)Cc1ccc(Br)c(C)c1 ZINC000429245274 566916023 /nfs/dbraw/zinc/91/60/23/566916023.db2.gz BNRWSUFXLYDACG-UHFFFAOYSA-N 0 3 380.330 3.430 20 30 GGEDHN N#CCN1CCC(N[C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000611519315 566923651 /nfs/dbraw/zinc/92/36/51/566923651.db2.gz SPEKWYWWNCXSPI-MSOLQXFVSA-N 0 3 378.314 3.247 20 30 GGEDHN N#CCN1CCC(N[C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000611519318 566923690 /nfs/dbraw/zinc/92/36/90/566923690.db2.gz SPEKWYWWNCXSPI-ZWKOTPCHSA-N 0 3 378.314 3.247 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429360954 566927162 /nfs/dbraw/zinc/92/71/62/566927162.db2.gz CDGJFJKAKLSKNW-NHYWBVRUSA-N 0 3 394.313 3.062 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429360952 566927347 /nfs/dbraw/zinc/92/73/47/566927347.db2.gz CDGJFJKAKLSKNW-IAQYHMDHSA-N 0 3 394.313 3.062 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429360956 566927446 /nfs/dbraw/zinc/92/74/46/566927446.db2.gz CDGJFJKAKLSKNW-XHDPSFHLSA-N 0 3 394.313 3.062 20 30 GGEDHN C[C@@](C#N)(NC(=O)CN[C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429364211 566927542 /nfs/dbraw/zinc/92/75/42/566927542.db2.gz FUYZLWZBZNOVET-MJGOQNOKSA-N 0 3 390.325 3.471 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@H]1c2cccc(Br)c2CC1(C)C ZINC000429378467 566927652 /nfs/dbraw/zinc/92/76/52/566927652.db2.gz HPJYIUCJRJALMW-KRWDZBQOSA-N 0 3 378.314 3.424 20 30 GGEDHN CCN(CCC#N)C(=O)CN[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429371450 566927792 /nfs/dbraw/zinc/92/77/92/566927792.db2.gz YWVGZBJTSVXNEV-QGZVFWFLSA-N 0 3 378.314 3.424 20 30 GGEDHN CCC[C@@H]1CN(Cc2cc(C#N)ccc2Br)CCN1CCOC ZINC000492720237 566937562 /nfs/dbraw/zinc/93/75/62/566937562.db2.gz HMSPOTQOJPDNQI-QGZVFWFLSA-N 0 3 380.330 3.253 20 30 GGEDHN C[C@@H]1C[C@@H]1N1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129735 566941766 /nfs/dbraw/zinc/94/17/66/566941766.db2.gz XWGRYBQHYXOKPL-ZENOOKHLSA-N 0 3 376.298 3.123 20 30 GGEDHN C[C@@H]1C[C@H]1N1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129733 566941855 /nfs/dbraw/zinc/94/18/55/566941855.db2.gz XWGRYBQHYXOKPL-WOSRLPQWSA-N 0 3 376.298 3.123 20 30 GGEDHN C=CCN1CC[C@@H](NCC2(c3ccc(Cl)cc3Cl)CCOCC2)C1=O ZINC000493736704 566955324 /nfs/dbraw/zinc/95/53/24/566955324.db2.gz PEBODPZMNCLDIH-QGZVFWFLSA-N 0 3 383.319 3.418 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)c1cnn(CCN(C)C)c1 ZINC000633407491 566957309 /nfs/dbraw/zinc/95/73/09/566957309.db2.gz JLNLQAKYPNDZSB-UHFFFAOYSA-N 0 3 393.285 3.024 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000429928127 566968201 /nfs/dbraw/zinc/96/82/01/566968201.db2.gz DCUKLQDLGZLKKN-GFCCVEGCSA-N 0 3 377.853 3.347 20 30 GGEDHN CCOc1cc(Br)c(NC(=O)[C@H](N)CCCC#N)cc1OCC ZINC000520566320 567011847 /nfs/dbraw/zinc/01/18/47/567011847.db2.gz QHPRCSULXKLPDC-GFCCVEGCSA-N 0 3 384.274 3.206 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCNc2cccc(Br)c2)cc1 ZINC000472512038 567032637 /nfs/dbraw/zinc/03/26/37/567032637.db2.gz DFZFTDGEEMYFQS-INIZCTEOSA-N 0 3 397.276 3.231 20 30 GGEDHN C[C@@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000584405838 567040187 /nfs/dbraw/zinc/04/01/87/567040187.db2.gz DWBDBGGDSXRPOS-AWEZNQCLSA-N 0 3 378.881 3.042 20 30 GGEDHN C=C(C)[C@H]1OCC[C@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000565392264 567064105 /nfs/dbraw/zinc/06/41/05/567064105.db2.gz DXZBBAROXSQPKT-SUMWQHHRSA-N 0 3 377.286 3.101 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@@H]1CNCc1cn(-c2ccccc2Br)nn1 ZINC000565392261 567064191 /nfs/dbraw/zinc/06/41/91/567064191.db2.gz DXZBBAROXSQPKT-DYVFJYSZSA-N 0 3 377.286 3.101 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2SC)CC1 ZINC000657627668 567076731 /nfs/dbraw/zinc/07/67/31/567076731.db2.gz RTYDLCUPNHNMFG-UHFFFAOYSA-N 0 3 381.929 3.157 20 30 GGEDHN C=CCC[C@@H](NCCNC(=O)c1ccc(Br)cn1)c1ccco1 ZINC000658092610 567121826 /nfs/dbraw/zinc/12/18/26/567121826.db2.gz OMQGHDQTKYSRLQ-CQSZACIVSA-N 0 3 378.270 3.464 20 30 GGEDHN N#Cc1ccc(Br)c(CN[C@H]2CCCC[C@@H]2N2CCOCC2)c1 ZINC000566077046 567124537 /nfs/dbraw/zinc/12/45/37/567124537.db2.gz IOUOAXSOLILVSY-ROUUACIJSA-N 0 3 378.314 3.054 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1 ZINC000588292272 567125474 /nfs/dbraw/zinc/12/54/74/567125474.db2.gz TYHPNWSCKAQTIJ-SNVBAGLBSA-N 0 3 377.388 3.225 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CO)c2c(Cl)cccc2Cl)CC1 ZINC000474326174 567159128 /nfs/dbraw/zinc/15/91/28/567159128.db2.gz AKQNGHYUTAQIGS-MRXNPFEDSA-N 0 3 386.323 3.367 20 30 GGEDHN N#Cc1ccc2c(c1)[C@@H](NC[C@H](O)COc1ccccc1Br)CC2 ZINC000589341481 567177230 /nfs/dbraw/zinc/17/72/30/567177230.db2.gz KOQVTTNXBAYYEI-YJBOKZPZSA-N 0 3 387.277 3.338 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)cc3c2OCCO3)nc(C)n1 ZINC000659024772 567178943 /nfs/dbraw/zinc/17/89/43/567178943.db2.gz JODXRQSXCHWCOG-ZDUSSCGKSA-N 0 3 388.221 3.117 20 30 GGEDHN C=CCN1CCC(NC(=O)NC/C=C\c2ccc(Br)cc2)CC1 ZINC000454535247 567180886 /nfs/dbraw/zinc/18/08/86/567180886.db2.gz FSIUNWOONCTFTF-ARJAWSKDSA-N 0 3 378.314 3.412 20 30 GGEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(CCC2CCOCC2)CC1 ZINC000432771908 567188221 /nfs/dbraw/zinc/18/82/21/567188221.db2.gz NNXZSUGWWDVDBX-IBGZPJMESA-N 0 3 392.341 3.448 20 30 GGEDHN CC1(C)Cc2ccc(Br)cc2[C@H]1NCC(=O)NC1(C#N)CCC1 ZINC000567054118 567214056 /nfs/dbraw/zinc/21/40/56/567214056.db2.gz UZXFHJYKOQOZMP-MRXNPFEDSA-N 0 3 376.298 3.225 20 30 GGEDHN C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433303734 567241494 /nfs/dbraw/zinc/24/14/94/567241494.db2.gz LZCLKHJPEXLBST-ZBFHGGJFSA-N 0 3 378.314 3.074 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c(C)nc3ccc(Br)cn32)CC1 ZINC000475643021 567264083 /nfs/dbraw/zinc/26/40/83/567264083.db2.gz VZPBROPWSGEBMR-UHFFFAOYSA-N 0 3 391.313 3.176 20 30 GGEDHN C=CCN1CC[C@@H](N(Cc2cccc(Br)c2)C2CCOCC2)C1=O ZINC000499722139 567267877 /nfs/dbraw/zinc/26/78/77/567267877.db2.gz YBIYPUBHTSOLAX-GOSISDBHSA-N 0 3 393.325 3.217 20 30 GGEDHN C=CCN1CC[C@@H](N(C)CCCc2ccc(Br)cc2OC)C1=O ZINC000499936559 567285424 /nfs/dbraw/zinc/28/54/24/567285424.db2.gz AMVQTUNXWDOKCI-MRXNPFEDSA-N 0 3 381.314 3.109 20 30 GGEDHN N#CC1(NC(=O)CN[C@H](c2ccc(Br)cc2)C2CCC2)CCC1 ZINC000526136154 567295159 /nfs/dbraw/zinc/29/51/59/567295159.db2.gz RUAQVGFPRQIBLO-KRWDZBQOSA-N 0 3 376.298 3.442 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COc1cccc(Br)c1 ZINC000591763924 567295623 /nfs/dbraw/zinc/29/56/23/567295623.db2.gz REWRNKPIUVBCSJ-APWZRJJASA-N 0 3 387.277 3.338 20 30 GGEDHN CC(C)(CC#N)CNC[C@@H](O)COc1ccc(Cl)cc1Br ZINC000591770365 567296600 /nfs/dbraw/zinc/29/66/00/567296600.db2.gz YUFUKLFAALQFHY-GFCCVEGCSA-N 0 3 375.694 3.372 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](O)COc2cc(F)cc(Br)c2)s1 ZINC000591770945 567296771 /nfs/dbraw/zinc/29/67/71/567296771.db2.gz PZIGIHXHQWOQOH-GFCCVEGCSA-N 0 3 385.258 3.051 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000526982717 567303817 /nfs/dbraw/zinc/30/38/17/567303817.db2.gz DSUKRLJCVNXEGV-UHFFFAOYSA-N 0 3 396.304 3.306 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc(N(C)C)c2)CC1 ZINC000568419081 567327832 /nfs/dbraw/zinc/32/78/32/567327832.db2.gz GAJJUELREPIAEP-UHFFFAOYSA-N 0 3 380.330 3.285 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(Br)s2)CC1 ZINC000592294286 567329964 /nfs/dbraw/zinc/32/99/64/567329964.db2.gz XYENPGGXILRVJT-UHFFFAOYSA-N 0 3 386.359 3.393 20 30 GGEDHN N#Cc1cnn2cc(CN3CC[C@H](Cc4ccc(Br)cc4)C3)cnc12 ZINC000592514489 567343156 /nfs/dbraw/zinc/34/31/56/567343156.db2.gz DJKCXYWXJNNVIA-OAHLLOKOSA-N 0 3 396.292 3.428 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCCN2C2CCCCC2)c(Cl)c1 ZINC000435643148 567381208 /nfs/dbraw/zinc/38/12/08/567381208.db2.gz ZWQPEOVFHZKSRI-MRXNPFEDSA-N 0 3 381.929 3.287 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN2C2CCCCC2)c(Cl)c1 ZINC000435643147 567381752 /nfs/dbraw/zinc/38/17/52/567381752.db2.gz ZWQPEOVFHZKSRI-INIZCTEOSA-N 0 3 381.929 3.287 20 30 GGEDHN Cc1oc(C#N)cc1C(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000436132682 567408045 /nfs/dbraw/zinc/40/80/45/567408045.db2.gz LVAGMQQHXJXXON-UHFFFAOYSA-N 0 3 390.281 3.426 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)c(I)c2)nc(C)n1 ZINC000477844172 567423176 /nfs/dbraw/zinc/42/31/76/567423176.db2.gz AZPUEDINEMYPEZ-NSHDSACASA-N 0 3 395.175 3.327 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2CCc3c2cccc3Br)cc1 ZINC000569803098 567432881 /nfs/dbraw/zinc/43/28/81/567432881.db2.gz CGYXRICTFJMBAA-AUUYWEPGSA-N 0 3 387.277 3.338 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H](C(=O)NCC)C(C)C)cc1OC ZINC000550239352 567435107 /nfs/dbraw/zinc/43/51/07/567435107.db2.gz BPJPQGDKIXPYTR-INIZCTEOSA-N 0 3 399.329 3.273 20 30 GGEDHN N#Cc1cccc(CN2CCC(NCc3ccc(Br)cn3)CC2)c1 ZINC000593693394 567435745 /nfs/dbraw/zinc/43/57/45/567435745.db2.gz XICWXRGATSBZDX-UHFFFAOYSA-N 0 3 385.309 3.470 20 30 GGEDHN Cc1c(Br)cccc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000594570247 567487177 /nfs/dbraw/zinc/48/71/77/567487177.db2.gz JMJODHPBGQRXQG-KRWDZBQOSA-N 0 3 389.293 3.353 20 30 GGEDHN C=CCCSCCNCCS(=O)(=O)c1cccc(Br)c1 ZINC000594718771 567501928 /nfs/dbraw/zinc/50/19/28/567501928.db2.gz TXDHOGAKXLQHQY-UHFFFAOYSA-N 0 3 378.357 3.122 20 30 GGEDHN CCN1CCC(CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594749895 567506216 /nfs/dbraw/zinc/50/62/16/567506216.db2.gz DBZPTEZADYZUGD-UHFFFAOYSA-N 0 3 377.535 3.092 20 30 GGEDHN O=C(N[C@H]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)[C@@H]1CNCCC1(F)F ZINC000644046626 567527524 /nfs/dbraw/zinc/52/75/24/567527524.db2.gz SVRCYWOCRZHLFU-JLIMGVALSA-N 0 3 382.295 3.257 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3ccc(Br)cc3C#N)[C@@H]2C1 ZINC000571201031 567544981 /nfs/dbraw/zinc/54/49/81/567544981.db2.gz GSFVWCGSHVOVSA-BMGDILEWSA-N 0 3 376.298 3.057 20 30 GGEDHN N#CC[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614275 567574124 /nfs/dbraw/zinc/57/41/24/567574124.db2.gz JQFDWSRUBVVLHP-GXTWGEPZSA-N 0 3 387.705 3.468 20 30 GGEDHN N#CC[C@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614286 567574301 /nfs/dbraw/zinc/57/43/01/567574301.db2.gz JQFDWSRUBVVLHP-TZMCWYRMSA-N 0 3 387.705 3.468 20 30 GGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1CCc2c1cccc2Br ZINC000530231663 567586156 /nfs/dbraw/zinc/58/61/56/567586156.db2.gz SJPKPFGGBUIUJW-RDTXWAMCSA-N 0 3 387.277 3.338 20 30 GGEDHN COc1ccc(C[NH+]2CCC(CN=c3[n-]c(C#N)c(Cl)s3)CC2)cc1 ZINC000596096714 567609071 /nfs/dbraw/zinc/60/90/71/567609071.db2.gz YDWZSAAYGDXEKL-UHFFFAOYSA-N 0 3 376.913 3.423 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)NCC1=CCN(C)CC1 ZINC000459658510 567647342 /nfs/dbraw/zinc/64/73/42/567647342.db2.gz KRIKETYVFRGSJT-UHFFFAOYSA-N 0 3 380.286 3.397 20 30 GGEDHN COc1cc(CNCC(C)(C)CC#N)cc(I)c1OC ZINC000459683821 567650573 /nfs/dbraw/zinc/65/05/73/567650573.db2.gz CSHXHKLLVHQEOM-UHFFFAOYSA-N 0 3 388.249 3.338 20 30 GGEDHN CCC[C@H]1CN(Cc2ccc(C#N)cc2Br)CCN1CCOC ZINC000481133438 567659962 /nfs/dbraw/zinc/65/99/62/567659962.db2.gz BSXHZEMAJXRVIV-KRWDZBQOSA-N 0 3 380.330 3.253 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@H](C)N(C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000572916555 567675085 /nfs/dbraw/zinc/67/50/85/567675085.db2.gz IEZYBADYYLPNFJ-AWEZNQCLSA-N 0 3 383.945 3.094 20 30 GGEDHN CC(C)(CN[C@@H]1CC[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771620 567708599 /nfs/dbraw/zinc/70/85/99/567708599.db2.gz UHOVTOGJZWHKJQ-TZMCWYRMSA-N 0 3 385.327 3.283 20 30 GGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000666969838 567715464 /nfs/dbraw/zinc/71/54/64/567715464.db2.gz CNPDZLYFLOSKHH-HNNXBMFYSA-N 0 3 383.945 3.352 20 30 GGEDHN C=CCOc1c(Cl)cc(CNCC2(CS(C)(=O)=O)CCC2)cc1OC ZINC000623551058 567722215 /nfs/dbraw/zinc/72/22/15/567722215.db2.gz IXVKXEYXJZBQAV-UHFFFAOYSA-N 0 3 387.929 3.218 20 30 GGEDHN C[C@H]1C[C@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094209 567731207 /nfs/dbraw/zinc/73/12/07/567731207.db2.gz CIVXZSSCMDKSIL-GJZGRUSLSA-N 0 3 383.945 3.248 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443402840 567755114 /nfs/dbraw/zinc/75/51/14/567755114.db2.gz JMFPHQCWJMULKN-GXFFZTMASA-N 0 3 375.226 3.322 20 30 GGEDHN Cc1cc(CNC[C@@H](O)COc2ccccc2Br)ccc1C#N ZINC000444000461 567784867 /nfs/dbraw/zinc/78/48/67/567784867.db2.gz DYBXWVAHVZWTBC-MRXNPFEDSA-N 0 3 375.266 3.159 20 30 GGEDHN CC(C)(C#N)C[C@@H](O)CN[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723471 567785790 /nfs/dbraw/zinc/78/57/90/567785790.db2.gz IGAGCXLKPNKNRM-HIFRSBDPSA-N 0 3 384.307 3.379 20 30 GGEDHN CN(C(=O)C(C[C@H]1COCCO1)C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000598818029 567792248 /nfs/dbraw/zinc/79/22/48/567792248.db2.gz IXCIOAIMESUKNP-STQMWFEESA-N 0 3 376.762 3.158 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nn(C(C)(C)C)cc2Br)CC1 ZINC000668370056 567809085 /nfs/dbraw/zinc/80/90/85/567809085.db2.gz MCITYOKWIZZFBZ-UHFFFAOYSA-N 0 3 383.334 3.171 20 30 GGEDHN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000248756351 570296050 /nfs/dbraw/zinc/29/60/50/570296050.db2.gz JUWCXBLNQDROQH-XYPHTWIQSA-N 0 3 377.448 3.089 20 30 GGEDHN COc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1OC ZINC000107317272 570972646 /nfs/dbraw/zinc/97/26/46/570972646.db2.gz SIRONZGPPXTYCZ-UHFFFAOYSA-N 0 3 386.883 3.382 20 30 GGEDHN CC[N@H+](CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000736537025 598982128 /nfs/dbraw/zinc/98/21/28/598982128.db2.gz PGTYZHHLZCKVSF-OAHLLOKOSA-N 0 3 392.463 3.209 20 30 GGEDHN CC[N@@H+](CCOc1ccc(-c2nn[n-]n2)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000736537025 598982130 /nfs/dbraw/zinc/98/21/30/598982130.db2.gz PGTYZHHLZCKVSF-OAHLLOKOSA-N 0 3 392.463 3.209 20 30 GGEDHN N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1Cl ZINC000737718180 598275813 /nfs/dbraw/zinc/27/58/13/598275813.db2.gz KSTIGSZQVYDDJD-UHFFFAOYSA-N 0 3 393.882 3.104 20 30 GGEDHN N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)cc1Cl ZINC000737718180 598275815 /nfs/dbraw/zinc/27/58/15/598275815.db2.gz KSTIGSZQVYDDJD-UHFFFAOYSA-N 0 3 393.882 3.104 20 30 GGEDHN N#Cc1ccc(N2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1Cl ZINC000737718180 598275816 /nfs/dbraw/zinc/27/58/16/598275816.db2.gz KSTIGSZQVYDDJD-UHFFFAOYSA-N 0 3 393.882 3.104 20 30 GGEDHN N#Cc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)cc3)CC2)cc1Cl ZINC000737718180 598275818 /nfs/dbraw/zinc/27/58/18/598275818.db2.gz KSTIGSZQVYDDJD-UHFFFAOYSA-N 0 3 393.882 3.104 20 30 GGEDHN COc1ccc(CN2CCC(C[NH2+][C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832315391 601303149 /nfs/dbraw/zinc/30/31/49/601303149.db2.gz YGZRYBBBVKWVOL-QFIPXVFZSA-N 0 3 393.487 3.194 20 30 GGEDHN C=CCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nnn[n-]1)c1ccccc1 ZINC000823894841 608537847 /nfs/dbraw/zinc/53/78/47/608537847.db2.gz XVALZCIZHMNOLM-SFHVURJKSA-N 0 3 377.448 3.450 20 30 GGEDHN C=CCC[C@H]([NH2+]Cc1cccc(C(=O)OC)c1-c1nn[n-]n1)c1ccccc1 ZINC000823894841 608537848 /nfs/dbraw/zinc/53/78/48/608537848.db2.gz XVALZCIZHMNOLM-SFHVURJKSA-N 0 3 377.448 3.450 20 30 GGEDHN C=CCOc1ccccc1C[N@@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823932299 608584045 /nfs/dbraw/zinc/58/40/45/608584045.db2.gz TUGHWNDGELEWQF-UHFFFAOYSA-N 0 3 390.491 3.144 20 30 GGEDHN C=CCOc1ccccc1C[N@H+]1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000823932299 608584046 /nfs/dbraw/zinc/58/40/46/608584046.db2.gz TUGHWNDGELEWQF-UHFFFAOYSA-N 0 3 390.491 3.144 20 30 GGEDHN C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824605523 609136586 /nfs/dbraw/zinc/13/65/86/609136586.db2.gz JJRJBXNWPSDWKK-ZDUSSCGKSA-N 0 3 382.468 3.461 20 30 GGEDHN C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824605523 609136588 /nfs/dbraw/zinc/13/65/88/609136588.db2.gz JJRJBXNWPSDWKK-ZDUSSCGKSA-N 0 3 382.468 3.461 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054223815 1406657823 /nfs/dbraw/zinc/65/78/23/1406657823.db2.gz XILCRSYGSBHVFX-RXVVDRJESA-N 0 3 393.535 3.298 20 30 GGEDHN Cc1cccc(NC(=O)N2CCC[C@H](C(=O)C(C#N)C(=O)NC3CCCC3)C2)c1 ZINC000054465981 1406743839 /nfs/dbraw/zinc/74/38/39/1406743839.db2.gz CKMFTNVFGUHFTP-QFBILLFUSA-N 0 3 396.491 3.007 20 30 GGEDHN Cc1noc([C@@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000054677215 1406803360 /nfs/dbraw/zinc/80/33/60/1406803360.db2.gz QNAPJNUEHONEJY-CQSZACIVSA-N 0 3 399.520 3.398 20 30 GGEDHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000055298079 1406923908 /nfs/dbraw/zinc/92/39/08/1406923908.db2.gz YCTZKAJATYBTKR-UHFFFAOYSA-N 0 3 389.443 3.072 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC000024050670 1399599142 /nfs/dbraw/zinc/59/91/42/1399599142.db2.gz RBFHYQGAXTWLGF-UHFFFAOYSA-N 0 3 393.535 3.081 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN(C)Cc2ccc3c(c2)OCO3)c(OC)c1 ZINC000025368898 1399803180 /nfs/dbraw/zinc/80/31/80/1399803180.db2.gz HDIASFNYMPLHKK-GOSISDBHSA-N 0 3 385.460 3.024 20 30 GGEDHN CC(C)[C@@H](CNC(=O)COc1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000025536493 1399817881 /nfs/dbraw/zinc/81/78/81/1399817881.db2.gz IJZRBAWSOJKIBT-JOCHJYFZSA-N 0 3 377.488 3.136 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000028264407 1400145106 /nfs/dbraw/zinc/14/51/06/1400145106.db2.gz OWJNQIKRDDFDPX-NRFANRHFSA-N 0 3 399.922 3.159 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922056 1400211734 /nfs/dbraw/zinc/21/17/34/1400211734.db2.gz PDLSJDFCKZBPMX-GOEBONIOSA-N 0 3 376.403 3.445 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922055 1400211790 /nfs/dbraw/zinc/21/17/90/1400211790.db2.gz PDLSJDFCKZBPMX-GDBMZVCRSA-N 0 3 376.403 3.445 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)c1ccccc1OC(F)F ZINC000028922058 1400211840 /nfs/dbraw/zinc/21/18/40/1400211840.db2.gz PDLSJDFCKZBPMX-HOCLYGCPSA-N 0 3 376.403 3.445 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c(C)c2)CC1 ZINC000029374649 1400290042 /nfs/dbraw/zinc/29/00/42/1400290042.db2.gz QQQTZKGJOQESEI-GOSISDBHSA-N 0 3 392.503 3.415 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000029827734 1400358870 /nfs/dbraw/zinc/35/88/70/1400358870.db2.gz QTMLHUZPZHVPDW-MSOLQXFVSA-N 0 3 377.444 3.319 20 30 GGEDHN COc1ccccc1NC(=O)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000029905318 1400375004 /nfs/dbraw/zinc/37/50/04/1400375004.db2.gz PTSFEUSHNSRQRD-UHFFFAOYSA-N 0 3 379.460 3.296 20 30 GGEDHN CCOc1ccc(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000056016051 1407172979 /nfs/dbraw/zinc/17/29/79/1407172979.db2.gz MWLQESXIECAHGX-UHFFFAOYSA-N 0 3 379.504 3.480 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCN(C)c1ccccc1 ZINC000043235182 1403731754 /nfs/dbraw/zinc/73/17/54/1403731754.db2.gz YMTJTFZEXHJOAO-UHFFFAOYSA-N 0 3 393.535 3.158 20 30 GGEDHN CCc1nc2ccccc2n1CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000044566133 1403951243 /nfs/dbraw/zinc/95/12/43/1403951243.db2.gz JBFZKJGMBWTOOO-UHFFFAOYSA-N 0 3 389.503 3.061 20 30 GGEDHN C=CCOc1cccc(NC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000056611406 1407377722 /nfs/dbraw/zinc/37/77/22/1407377722.db2.gz CLFQXPNVJDYXMJ-UHFFFAOYSA-N 0 3 394.519 3.321 20 30 GGEDHN C[C@@H](N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000045812505 1404212499 /nfs/dbraw/zinc/21/24/99/1404212499.db2.gz RDPLSUILPSEWHO-HZPDHXFCSA-N 0 3 382.508 3.417 20 30 GGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000045812500 1404212607 /nfs/dbraw/zinc/21/26/07/1404212607.db2.gz RDPLSUILPSEWHO-CVEARBPZSA-N 0 3 382.508 3.417 20 30 GGEDHN Cc1ccc(C)c(OC[C@H](O)CN2CCCN(c3ccccc3C#N)CC2)c1 ZINC000046086898 1404293132 /nfs/dbraw/zinc/29/31/32/1404293132.db2.gz XYLPXYGVRFPDMU-OAQYLSRUSA-N 0 3 379.504 3.127 20 30 GGEDHN CCN1CCN(Cc2ccc(CNC(=O)Nc3cccc(C#N)c3)cc2)CC1 ZINC000046120912 1404304043 /nfs/dbraw/zinc/30/40/43/1404304043.db2.gz QEDOELGIRZQREY-UHFFFAOYSA-N 0 3 377.492 3.017 20 30 GGEDHN N#CC(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccn1 ZINC000046439408 1404415794 /nfs/dbraw/zinc/41/57/94/1404415794.db2.gz CRQXCZKRPRIKOG-GOSISDBHSA-N 0 3 383.407 3.487 20 30 GGEDHN N#CC(C(=O)CCCN1C(=O)c2cccc3cccc(c32)C1=O)c1ccccn1 ZINC000046439409 1404416000 /nfs/dbraw/zinc/41/60/00/1404416000.db2.gz CRQXCZKRPRIKOG-SFHVURJKSA-N 0 3 383.407 3.487 20 30 GGEDHN C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046830670 1404606731 /nfs/dbraw/zinc/60/67/31/1404606731.db2.gz KNQHYBVYXZNUNG-NQIIRXRSSA-N 0 3 386.540 3.227 20 30 GGEDHN CCN1CCN(Cc2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)CC1 ZINC000046939653 1404643770 /nfs/dbraw/zinc/64/37/70/1404643770.db2.gz JHYKLRAVZUGSDN-UHFFFAOYSA-N 0 3 376.504 3.267 20 30 GGEDHN COc1ccc2c(ccn2CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011543 1404673845 /nfs/dbraw/zinc/67/38/45/1404673845.db2.gz FTVDXMJHTNWAQJ-UHFFFAOYSA-N 0 3 390.487 3.112 20 30 GGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000047011275 1404674244 /nfs/dbraw/zinc/67/42/44/1404674244.db2.gz SSVURKYCVIHKLN-UHFFFAOYSA-N 0 3 393.487 3.336 20 30 GGEDHN COc1cccc(CO[C@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047011573 1404674420 /nfs/dbraw/zinc/67/44/20/1404674420.db2.gz VNTKBIBSCUXKNX-GOSISDBHSA-N 0 3 395.503 3.062 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000047287133 1404788720 /nfs/dbraw/zinc/78/87/20/1404788720.db2.gz XPERZVSHVMNITG-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN N#CC(C(=O)CCC(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1 ZINC000047359052 1404815642 /nfs/dbraw/zinc/81/56/42/1404815642.db2.gz WVHCJBJRTUXAOD-AWEZNQCLSA-N 0 3 375.384 3.173 20 30 GGEDHN COc1cccc([C@H](CNC(=O)NCc2ccc(C#N)cc2)N2CCCC2)c1 ZINC000047986383 1405018486 /nfs/dbraw/zinc/01/84/86/1405018486.db2.gz TWRMAIFSTZLSPI-NRFANRHFSA-N 0 3 378.476 3.203 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000048852426 1405308246 /nfs/dbraw/zinc/30/82/46/1405308246.db2.gz GLWZLLIXNBJTNV-IBGZPJMESA-N 0 3 398.894 3.349 20 30 GGEDHN CC(C)Oc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392284 1405375270 /nfs/dbraw/zinc/37/52/70/1405375270.db2.gz WLKQYSHBNCVDMG-QGZVFWFLSA-N 0 3 388.431 3.475 20 30 GGEDHN N#CC(C(=O)c1ccc(-n2cccc2)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393265 1405376105 /nfs/dbraw/zinc/37/61/05/1405376105.db2.gz GPGSKLKEXWMIQC-GOSISDBHSA-N 0 3 395.426 3.478 20 30 GGEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049395595 1405377690 /nfs/dbraw/zinc/37/76/90/1405377690.db2.gz UUMHQVAZWISJGB-KRWDZBQOSA-N 0 3 386.415 3.252 20 30 GGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000050679918 1405623009 /nfs/dbraw/zinc/62/30/09/1405623009.db2.gz GXYOGYVPOTUPRN-LPHOPBHVSA-N 0 3 396.491 3.088 20 30 GGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cc1OC ZINC000051283558 1405775370 /nfs/dbraw/zinc/77/53/70/1405775370.db2.gz JYGFOLCSVLWZGP-PZJWPPBQSA-N 0 3 396.487 3.347 20 30 GGEDHN Cc1noc(C)c1COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051652747 1405845253 /nfs/dbraw/zinc/84/52/53/1405845253.db2.gz ZQMHGSHZURQOGF-LJQANCHMSA-N 0 3 395.459 3.181 20 30 GGEDHN CCCN(C[C@H](O)COc1ccc(CC#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000051688159 1405849354 /nfs/dbraw/zinc/84/93/54/1405849354.db2.gz CUBUUNJPGCESLC-FPOVZHCZSA-N 0 3 396.487 3.044 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)nc(C)n1 ZINC000051898162 1405882349 /nfs/dbraw/zinc/88/23/49/1405882349.db2.gz BNWMZLCVRDDKPG-GOSISDBHSA-N 0 3 383.473 3.300 20 30 GGEDHN C#CCN(C[C@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000052846203 1406195739 /nfs/dbraw/zinc/19/57/39/1406195739.db2.gz UBISQEVQAPNOAK-NZQKXSOJSA-N 0 3 378.472 3.007 20 30 GGEDHN C#CCN(C[C@@H](O)COc1ccc(NC(C)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000052846202 1406196442 /nfs/dbraw/zinc/19/64/42/1406196442.db2.gz UBISQEVQAPNOAK-NFBKMPQASA-N 0 3 378.472 3.007 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)CC1 ZINC000057155082 1407538234 /nfs/dbraw/zinc/53/82/34/1407538234.db2.gz GZFNLUCXQSVBAP-UHFFFAOYSA-N 0 3 391.519 3.264 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)CC1 ZINC000057175513 1407546138 /nfs/dbraw/zinc/54/61/38/1407546138.db2.gz CESPXSQNDHDXJS-UHFFFAOYSA-N 0 3 393.462 3.291 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)OC(C)(C)C)c(OC)c2)CC1 ZINC000057174509 1407546210 /nfs/dbraw/zinc/54/62/10/1407546210.db2.gz CRQISKNEMZITEY-UHFFFAOYSA-N 0 3 387.480 3.326 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000057177286 1407547509 /nfs/dbraw/zinc/54/75/09/1407547509.db2.gz DXPPVIQJFILNAP-SFHVURJKSA-N 0 3 377.488 3.183 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000057645237 1407675489 /nfs/dbraw/zinc/67/54/89/1407675489.db2.gz BYYUNNLZNUFUTP-UHFFFAOYSA-N 0 3 375.476 3.313 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057647436 1407676490 /nfs/dbraw/zinc/67/64/90/1407676490.db2.gz FTMOUDHFTUJDOX-UHFFFAOYSA-N 0 3 397.498 3.037 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(-c2ccccc2F)c1 ZINC000058685408 1407864442 /nfs/dbraw/zinc/86/44/42/1407864442.db2.gz MWBOYDPMOIEGDA-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSCc1ccccn1 ZINC000058899038 1407895994 /nfs/dbraw/zinc/89/59/94/1407895994.db2.gz XVXKPXSJZSNERQ-UHFFFAOYSA-N 0 3 382.533 3.167 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058899050 1407896195 /nfs/dbraw/zinc/89/61/95/1407896195.db2.gz BKZDWJCGBNTFSU-UHFFFAOYSA-N 0 3 391.431 3.152 20 30 GGEDHN COc1cc(/C=C/C(=O)N(CCN(C)C)Cc2ccc(C)o2)ccc1OCC#N ZINC000060407546 1407972741 /nfs/dbraw/zinc/97/27/41/1407972741.db2.gz RMXJZFZEEKVGCN-JXMROGBWSA-N 0 3 397.475 3.103 20 30 GGEDHN Cc1nc(SCC(=O)NC[C@@H](c2ccccc2)N(C)C)c(C#N)c(C)c1C ZINC000060447259 1407979865 /nfs/dbraw/zinc/97/98/65/1407979865.db2.gz KZIZZWVEIHALGB-IBGZPJMESA-N 0 3 382.533 3.390 20 30 GGEDHN N#Cc1ccc(OCC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000061289419 1408103016 /nfs/dbraw/zinc/10/30/16/1408103016.db2.gz LUYGSZSAZNZSLC-UHFFFAOYSA-N 0 3 381.501 3.167 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000061503057 1408139572 /nfs/dbraw/zinc/13/95/72/1408139572.db2.gz JOLJWKWZPLTSJF-FQEVSTJZSA-N 0 3 393.487 3.207 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCCC2)C(C)C ZINC000062205197 1408217996 /nfs/dbraw/zinc/21/79/96/1408217996.db2.gz ZFBWBIZVXOMDFD-NRFANRHFSA-N 0 3 383.536 3.319 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccc(OCC#N)c1 ZINC000062394411 1408248996 /nfs/dbraw/zinc/24/89/96/1408248996.db2.gz QDKPXAJMUSANAC-UHFFFAOYSA-N 0 3 388.418 3.463 20 30 GGEDHN COCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C#N)cc1 ZINC000063754569 1408402918 /nfs/dbraw/zinc/40/29/18/1408402918.db2.gz MNZRGRNSOAMXJP-UHFFFAOYSA-N 0 3 396.447 3.252 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCCN(c3nccs3)CC2)cc1Cl ZINC000064401847 1408546639 /nfs/dbraw/zinc/54/66/39/1408546639.db2.gz VRRQCVAJRBZZRE-UHFFFAOYSA-N 0 3 389.912 3.209 20 30 GGEDHN CCNC(=O)c1ccc(CNCc2ccc(OC)c(OCCCC#N)c2)cc1 ZINC000064614028 1408586267 /nfs/dbraw/zinc/58/62/67/1408586267.db2.gz MWRYTGQZKQDMCT-UHFFFAOYSA-N 0 3 381.476 3.417 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)cc1 ZINC000065414394 1408666695 /nfs/dbraw/zinc/66/66/95/1408666695.db2.gz LDIUMPDHTNPELH-UHFFFAOYSA-N 0 3 384.524 3.332 20 30 GGEDHN C=CCOc1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065930069 1408755994 /nfs/dbraw/zinc/75/59/94/1408755994.db2.gz DJBUJCVPCTYBRH-UHFFFAOYSA-N 0 3 393.487 3.336 20 30 GGEDHN Cc1ccnn1-c1ccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000065931054 1408756190 /nfs/dbraw/zinc/75/61/90/1408756190.db2.gz AHIDSXOIHRJMIF-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN COc1ccc(OC)c(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000065930689 1408756260 /nfs/dbraw/zinc/75/62/60/1408756260.db2.gz YQYQQWFKCFLWLS-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccc(F)c(Cl)c1 ZINC000065930645 1408756365 /nfs/dbraw/zinc/75/63/65/1408756365.db2.gz UWSOYWPNYKFMQE-UHFFFAOYSA-N 0 3 389.858 3.320 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccc(OC(F)F)cc1 ZINC000065931062 1408756379 /nfs/dbraw/zinc/75/63/79/1408756379.db2.gz GZZBKBZSOVDFQW-UHFFFAOYSA-N 0 3 387.430 3.293 20 30 GGEDHN COc1ccc(Cl)cc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930914 1408756488 /nfs/dbraw/zinc/75/64/88/1408756488.db2.gz FARMVWXVONDMON-UHFFFAOYSA-N 0 3 385.895 3.353 20 30 GGEDHN Cc1nc2ccc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2nc1C ZINC000065930993 1408756528 /nfs/dbraw/zinc/75/65/28/1408756528.db2.gz VMAODTGLDZCPNX-UHFFFAOYSA-N 0 3 387.487 3.322 20 30 GGEDHN Cc1cc(Cl)ccc1OCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065931180 1408756561 /nfs/dbraw/zinc/75/65/61/1408756561.db2.gz WCMMPCOIMCCBDI-UHFFFAOYSA-N 0 3 385.895 3.489 20 30 GGEDHN C[C@@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000066189062 1408789069 /nfs/dbraw/zinc/78/90/69/1408789069.db2.gz KEBJCDKWAUPSAZ-GOSISDBHSA-N 0 3 391.519 3.363 20 30 GGEDHN CC(C)(C)CC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544580 1408855311 /nfs/dbraw/zinc/85/53/11/1408855311.db2.gz WVTXXDJYHFVBGY-HNNXBMFYSA-N 0 3 380.473 3.410 20 30 GGEDHN CC(C)(C)CC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066544579 1408855450 /nfs/dbraw/zinc/85/54/50/1408855450.db2.gz WVTXXDJYHFVBGY-OAHLLOKOSA-N 0 3 380.473 3.410 20 30 GGEDHN C[C@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545178 1408855826 /nfs/dbraw/zinc/85/58/26/1408855826.db2.gz DMYQVVYMPDCLSA-BLLLJJGKSA-N 0 3 390.424 3.270 20 30 GGEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545170 1408855869 /nfs/dbraw/zinc/85/58/69/1408855869.db2.gz WLCQFQNSKLNEEY-SMDDNHRTSA-N 0 3 394.485 3.167 20 30 GGEDHN C[C@@H](NC(=O)c1ccoc1)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545180 1408855907 /nfs/dbraw/zinc/85/59/07/1408855907.db2.gz DMYQVVYMPDCLSA-MLGOLLRUSA-N 0 3 390.424 3.270 20 30 GGEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000066545174 1408855955 /nfs/dbraw/zinc/85/59/55/1408855955.db2.gz WLCQFQNSKLNEEY-FZMZJTMJSA-N 0 3 394.485 3.167 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1 ZINC000066838884 1408925350 /nfs/dbraw/zinc/92/53/50/1408925350.db2.gz QTALRQXIEANAHX-UHFFFAOYSA-N 0 3 397.523 3.133 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000066900067 1408946634 /nfs/dbraw/zinc/94/66/34/1408946634.db2.gz OYLZOLQKLFZLLL-LJQANCHMSA-N 0 3 377.444 3.495 20 30 GGEDHN C=CCOc1ccc(CNCc2ccc(OCC(N)=O)c(OC)c2)cc1Cl ZINC000066990838 1408974175 /nfs/dbraw/zinc/97/41/75/1408974175.db2.gz YOBDYNDLRPEAHN-UHFFFAOYSA-N 0 3 390.867 3.067 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC#N)cc2)CN1Cc1ccccc1 ZINC000176577410 1428368749 /nfs/dbraw/zinc/36/87/49/1428368749.db2.gz MTPVFCINBXZUOW-XLIONFOSSA-N 0 3 378.476 3.051 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)CN1Cc1ccccc1 ZINC000176577454 1428369019 /nfs/dbraw/zinc/36/90/19/1428369019.db2.gz MTPVFCINBXZUOW-FXAWDEMLSA-N 0 3 378.476 3.051 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H](N(C)C)Cc2ccccc21 ZINC000067204506 1409041380 /nfs/dbraw/zinc/04/13/80/1409041380.db2.gz KZGLHORMNVDYPI-LJQANCHMSA-N 0 3 393.487 3.245 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000067719448 1409214674 /nfs/dbraw/zinc/21/46/74/1409214674.db2.gz YLFXRKNQSYDQGJ-UHFFFAOYSA-N 0 3 390.443 3.260 20 30 GGEDHN CC(C)c1ncc(Cl)c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)n1 ZINC000068310001 1409360459 /nfs/dbraw/zinc/36/04/59/1409360459.db2.gz WTKGHDPWKDBEPQ-UHFFFAOYSA-N 0 3 385.899 3.329 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccnc1N1CCCC1 ZINC000068372785 1409383034 /nfs/dbraw/zinc/38/30/34/1409383034.db2.gz VSPRRCGUGAPQLB-UHFFFAOYSA-N 0 3 392.507 3.149 20 30 GGEDHN CS(=O)(=O)c1ccc(OCCCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000068723478 1409479408 /nfs/dbraw/zinc/47/94/08/1409479408.db2.gz PNSAAQDHKVSXTO-INIZCTEOSA-N 0 3 398.440 3.267 20 30 GGEDHN CC(=O)c1cccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000068733374 1409482188 /nfs/dbraw/zinc/48/21/88/1409482188.db2.gz YMUJAWYUPBNQCJ-SFHVURJKSA-N 0 3 393.487 3.119 20 30 GGEDHN CC(=O)c1cccc(O[C@@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000068791438 1409493696 /nfs/dbraw/zinc/49/36/96/1409493696.db2.gz QXKNBLRAWRSWKJ-SFHVURJKSA-N 0 3 393.487 3.119 20 30 GGEDHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000068958051 1409532222 /nfs/dbraw/zinc/53/22/22/1409532222.db2.gz SWTCSVRLWCLQQO-GOSISDBHSA-N 0 3 386.496 3.266 20 30 GGEDHN Cc1ccccc1CN1CCCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000068968349 1409535700 /nfs/dbraw/zinc/53/57/00/1409535700.db2.gz YRXJHALPLKEOGA-FQEVSTJZSA-N 0 3 382.552 3.234 20 30 GGEDHN COc1cc(OC)c(OC)cc1CN[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000068991430 1409538872 /nfs/dbraw/zinc/53/88/72/1409538872.db2.gz RGWISPHBEVEKCX-KRWDZBQOSA-N 0 3 399.466 3.482 20 30 GGEDHN CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)Cc2ccccc21 ZINC000069088738 1409562211 /nfs/dbraw/zinc/56/22/11/1409562211.db2.gz MLSGKYBAULALPP-UHFFFAOYSA-N 0 3 380.517 3.389 20 30 GGEDHN C=C(Br)CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000069245505 1409591746 /nfs/dbraw/zinc/59/17/46/1409591746.db2.gz UUGPICJETYGICL-MRXNPFEDSA-N 0 3 382.302 3.040 20 30 GGEDHN C=C(Br)CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000069245506 1409591828 /nfs/dbraw/zinc/59/18/28/1409591828.db2.gz UUGPICJETYGICL-INIZCTEOSA-N 0 3 382.302 3.040 20 30 GGEDHN CC(C)(CNC(=O)NCc1ccc(OCC#N)cc1)N1CCc2ccccc2C1 ZINC000069262053 1409597320 /nfs/dbraw/zinc/59/73/20/1409597320.db2.gz ZLIRJUUDZGBEGN-UHFFFAOYSA-N 0 3 392.503 3.225 20 30 GGEDHN N#CCOc1ccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000069282490 1409603538 /nfs/dbraw/zinc/60/35/38/1409603538.db2.gz FMCJSCAGHHOBHL-HXUWFJFHSA-N 0 3 378.476 3.053 20 30 GGEDHN C#CCOc1cccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000069343442 1409618350 /nfs/dbraw/zinc/61/83/50/1409618350.db2.gz VHNHPWYOYMQNLE-HDICACEKSA-N 0 3 385.508 3.052 20 30 GGEDHN C#CCOc1cccc(NC(=O)N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000069343450 1409618516 /nfs/dbraw/zinc/61/85/16/1409618516.db2.gz VHNHPWYOYMQNLE-QZTJIDSGSA-N 0 3 385.508 3.052 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000069520777 1409647772 /nfs/dbraw/zinc/64/77/72/1409647772.db2.gz CFDJIOOVMDFEIH-LADGPHEKSA-N 0 3 394.515 3.462 20 30 GGEDHN COc1cc(CN(C)C[C@@H](O)COc2ccc(CC#N)cc2)ccc1SC ZINC000069687383 1409675130 /nfs/dbraw/zinc/67/51/30/1409675130.db2.gz ZMEFGHDQWYJCRB-GOSISDBHSA-N 0 3 386.517 3.355 20 30 GGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828286 1409711157 /nfs/dbraw/zinc/71/11/57/1409711157.db2.gz KLNHNFDTURQUEO-UHFFFAOYSA-N 0 3 384.455 3.001 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC#N)cc1 ZINC000069828953 1409711749 /nfs/dbraw/zinc/71/17/49/1409711749.db2.gz FFIVIABSPIDPJC-UHFFFAOYSA-N 0 3 384.455 3.001 20 30 GGEDHN COc1ccc(C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c2ccc(OC)cc2)cc1 ZINC000070787664 1409775300 /nfs/dbraw/zinc/77/53/00/1409775300.db2.gz AQKFLMCSPCTWBF-HTAPYJJXSA-N 0 3 395.503 3.338 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000070877816 1409797441 /nfs/dbraw/zinc/79/74/41/1409797441.db2.gz OMPYTEBSQULBEB-UHFFFAOYSA-N 0 3 398.551 3.101 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)COc1ccccc1C#N)c1cccc(OC)c1 ZINC000071813900 1409825273 /nfs/dbraw/zinc/82/52/73/1409825273.db2.gz MJKABEDIDYIEDY-HXUWFJFHSA-N 0 3 381.476 3.145 20 30 GGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000072895701 1409854938 /nfs/dbraw/zinc/85/49/38/1409854938.db2.gz MZPPXYARLVFXKH-MOPGFXCFSA-N 0 3 376.504 3.482 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000074621087 1409873758 /nfs/dbraw/zinc/87/37/58/1409873758.db2.gz COMJTBSWUIZONI-GMAHTHKFSA-N 0 3 376.504 3.362 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000074621091 1409873971 /nfs/dbraw/zinc/87/39/71/1409873971.db2.gz COMJTBSWUIZONI-FYYLOGMGSA-N 0 3 376.504 3.362 20 30 GGEDHN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000176733659 1428440690 /nfs/dbraw/zinc/44/06/90/1428440690.db2.gz OSOBEXHRRQNWAT-SWLSCSKDSA-N 0 3 386.404 3.253 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000078533552 1409923471 /nfs/dbraw/zinc/92/34/71/1409923471.db2.gz PEICAUABGBPQMX-UHFFFAOYSA-N 0 3 376.932 3.212 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000078602568 1409928225 /nfs/dbraw/zinc/92/82/25/1409928225.db2.gz MWVPRGWHRITUFG-UHFFFAOYSA-N 0 3 381.524 3.329 20 30 GGEDHN COC1CCN(CCNC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000079803715 1409989675 /nfs/dbraw/zinc/98/96/75/1409989675.db2.gz AMCVMRCJMLIWNZ-OAHLLOKOSA-N 0 3 376.526 3.171 20 30 GGEDHN C#CCN1CCC(C(=O)N2CCC(n3c(CC)nc4ccccc43)CC2)CC1 ZINC000089215763 1410052491 /nfs/dbraw/zinc/05/24/91/1410052491.db2.gz QZZPSDRVTCPYCK-UHFFFAOYSA-N 0 3 378.520 3.107 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091864206 1410087534 /nfs/dbraw/zinc/08/75/34/1410087534.db2.gz BRBWMDCERIZKRB-LJQANCHMSA-N 0 3 384.451 3.118 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1ccncc1 ZINC000092375830 1410145383 /nfs/dbraw/zinc/14/53/83/1410145383.db2.gz NPSBCNQJWJZRHE-UHFFFAOYSA-N 0 3 379.508 3.004 20 30 GGEDHN COC(=O)[C@@H](NCC1(N2CCSCC2)CCCCC1)c1cccc(C#N)c1 ZINC000176785319 1428460478 /nfs/dbraw/zinc/46/04/78/1428460478.db2.gz CJFDNFMVYYIJPO-IBGZPJMESA-N 0 3 387.549 3.114 20 30 GGEDHN C#CCOc1ccc(CN2CCC(C(=O)NCCc3cccs3)CC2)cc1 ZINC000092644521 1410182563 /nfs/dbraw/zinc/18/25/63/1410182563.db2.gz JYZDMHZCNZNYDR-UHFFFAOYSA-N 0 3 382.529 3.331 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000102990366 1410817340 /nfs/dbraw/zinc/81/73/40/1410817340.db2.gz OZGUYXXTEIRKAD-UHFFFAOYSA-N 0 3 378.501 3.112 20 30 GGEDHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000103206175 1410837376 /nfs/dbraw/zinc/83/73/76/1410837376.db2.gz JBXLTXUNBFJXHE-SFHVURJKSA-N 0 3 392.503 3.106 20 30 GGEDHN CCC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103638914 1410870450 /nfs/dbraw/zinc/87/04/50/1410870450.db2.gz FIHLQCGYCRMSBT-DGCLKSJQSA-N 0 3 396.274 3.289 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000103759408 1410873478 /nfs/dbraw/zinc/87/34/78/1410873478.db2.gz BHBQEYJKBWHHEL-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN C[C@@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)NC1=O ZINC000103796666 1410875417 /nfs/dbraw/zinc/87/54/17/1410875417.db2.gz UIQAXPYRVQZPAZ-JOYOIKCWSA-N 0 3 375.306 3.310 20 30 GGEDHN CC1(N(CC(=O)N(CCC#N)CCC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000104078894 1410883877 /nfs/dbraw/zinc/88/38/77/1410883877.db2.gz AVRDDVKQILXHOA-UHFFFAOYSA-N 0 3 396.491 3.206 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@@H](O)COc3ccccc3Cl)CC2)c1 ZINC000104963051 1411004440 /nfs/dbraw/zinc/00/44/40/1411004440.db2.gz VIHIZVOZLPVMJN-QGZVFWFLSA-N 0 3 386.879 3.495 20 30 GGEDHN CN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000105720530 1411111974 /nfs/dbraw/zinc/11/19/74/1411111974.db2.gz AKPJXCREOXQJMB-UHFFFAOYSA-N 0 3 381.455 3.263 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000105950711 1411133083 /nfs/dbraw/zinc/13/30/83/1411133083.db2.gz VRAZSSCDMNOKGW-UHFFFAOYSA-N 0 3 394.500 3.408 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000106034321 1411154243 /nfs/dbraw/zinc/15/42/43/1411154243.db2.gz CVSMKMTXJPUZMG-UHFFFAOYSA-N 0 3 379.482 3.096 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2S[C@@H](C)C(=O)OC)CC1 ZINC000106035677 1411155135 /nfs/dbraw/zinc/15/51/35/1411155135.db2.gz IPHVNZVOXIEWBS-HNNXBMFYSA-N 0 3 376.522 3.111 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cccnc2SCc2cc(C)on2)CC1 ZINC000106038457 1411156438 /nfs/dbraw/zinc/15/64/38/1411156438.db2.gz OFIWFVMERCBNHA-UHFFFAOYSA-N 0 3 386.521 3.441 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000106263670 1411185613 /nfs/dbraw/zinc/18/56/13/1411185613.db2.gz NYZUYQOBPMBPKK-MRXNPFEDSA-N 0 3 375.513 3.413 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)N(CC)CC)cc2)CC1 ZINC000106262938 1411186131 /nfs/dbraw/zinc/18/61/31/1411186131.db2.gz LDKBUXFZWCDJQN-UHFFFAOYSA-N 0 3 386.540 3.008 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 ZINC000106267038 1411186889 /nfs/dbraw/zinc/18/68/89/1411186889.db2.gz KVWBEMFKOMQHPT-QGZVFWFLSA-N 0 3 384.524 3.214 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000106267103 1411187314 /nfs/dbraw/zinc/18/73/14/1411187314.db2.gz POTUNWUEDKXECL-INIZCTEOSA-N 0 3 386.496 3.044 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000106275021 1411188156 /nfs/dbraw/zinc/18/81/56/1411188156.db2.gz QFNPFDRQTQHVJV-IBGZPJMESA-N 0 3 385.508 3.345 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000106275656 1411188699 /nfs/dbraw/zinc/18/86/99/1411188699.db2.gz FPPODZPESHOGCD-GOSISDBHSA-N 0 3 394.560 3.116 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC(=O)OCC)c2ccc(F)cc2)CC1 ZINC000106274820 1411189058 /nfs/dbraw/zinc/18/90/58/1411189058.db2.gz TZOOQMBMLCFURD-LJQANCHMSA-N 0 3 391.487 3.160 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1 ZINC000106949603 1411326220 /nfs/dbraw/zinc/32/62/20/1411326220.db2.gz YYSOFYMEXUSWFX-UHFFFAOYSA-N 0 3 389.500 3.430 20 30 GGEDHN CCc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCC3)cc1 ZINC000107877670 1411426128 /nfs/dbraw/zinc/42/61/28/1411426128.db2.gz ZUCNTVSVPPLASI-GOSISDBHSA-N 0 3 399.454 3.280 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000108068916 1411436149 /nfs/dbraw/zinc/43/61/49/1411436149.db2.gz GVXYSXFIANRAFD-AWEZNQCLSA-N 0 3 398.415 3.072 20 30 GGEDHN CC(C)OCCN1CCC(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000177052577 1428569523 /nfs/dbraw/zinc/56/95/23/1428569523.db2.gz NWJFXSVPZUHZJE-UHFFFAOYSA-N 0 3 375.517 3.126 20 30 GGEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000108399170 1411491643 /nfs/dbraw/zinc/49/16/43/1411491643.db2.gz HNTVCRVIKJKACY-UHFFFAOYSA-N 0 3 385.533 3.232 20 30 GGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000108468663 1411512468 /nfs/dbraw/zinc/51/24/68/1411512468.db2.gz PYFQNOXIEUEUMF-IFMALSPDSA-N 0 3 379.504 3.251 20 30 GGEDHN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000108468667 1411512495 /nfs/dbraw/zinc/51/24/95/1411512495.db2.gz PYFQNOXIEUEUMF-RBBKRZOGSA-N 0 3 379.504 3.251 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)CN1C1CC1 ZINC000177069905 1428576801 /nfs/dbraw/zinc/57/68/01/1428576801.db2.gz YZVWROGUSYPXJU-UZLBHIALSA-N 0 3 375.472 3.492 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000108931525 1411643174 /nfs/dbraw/zinc/64/31/74/1411643174.db2.gz NFRXFZGNKMDARX-HXUWFJFHSA-N 0 3 392.503 3.198 20 30 GGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCN1CCCCCC1 ZINC000109034369 1411667805 /nfs/dbraw/zinc/66/78/05/1411667805.db2.gz MNBJGTMPNDGTPV-MRXNPFEDSA-N 0 3 388.537 3.012 20 30 GGEDHN N#Cc1ccc(CN2CCCN(c3cc(N4CCCCC4)ncn3)CC2)cc1 ZINC000110124526 1411832610 /nfs/dbraw/zinc/83/26/10/1411832610.db2.gz ZHRXEIJQAMTENS-UHFFFAOYSA-N 0 3 376.508 3.051 20 30 GGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000110188551 1411836199 /nfs/dbraw/zinc/83/61/99/1411836199.db2.gz IGGHEFHEULWYGP-UNMCSNQZSA-N 0 3 375.472 3.274 20 30 GGEDHN CC[C@@H](CNC(=O)Cc1ccc(OCC#N)cc1)N1CCc2ccccc2C1 ZINC000110207802 1411837645 /nfs/dbraw/zinc/83/76/45/1411837645.db2.gz BKGYGSYSMRWOOB-NRFANRHFSA-N 0 3 377.488 3.085 20 30 GGEDHN C=CCn1c(C)cc(C(=O)CN2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000110991087 1411880939 /nfs/dbraw/zinc/88/09/39/1411880939.db2.gz REJYUAQWSAWGDL-OALUTQOASA-N 0 3 387.568 3.295 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111495912 1411980150 /nfs/dbraw/zinc/98/01/50/1411980150.db2.gz FXJBHGBNUDOLHL-KRWDZBQOSA-N 0 3 386.323 3.367 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000111495915 1411980468 /nfs/dbraw/zinc/98/04/68/1411980468.db2.gz FXJBHGBNUDOLHL-QGZVFWFLSA-N 0 3 386.323 3.367 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1 ZINC000111911615 1412049459 /nfs/dbraw/zinc/04/94/59/1412049459.db2.gz PJGGCEIXFSTJTP-SFHVURJKSA-N 0 3 395.503 3.217 20 30 GGEDHN Cc1cc(C(=O)CON=C(N)C2CCOCC2)c(C)n1CCc1cccs1 ZINC000112087407 1412074334 /nfs/dbraw/zinc/07/43/34/1412074334.db2.gz DBVVRJZEKULTMW-UHFFFAOYSA-N 0 3 389.521 3.307 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(c2nnc3ccccn32)CC1 ZINC000112407701 1412141777 /nfs/dbraw/zinc/14/17/77/1412141777.db2.gz WZIOKLWYBLMMLB-FQEVSTJZSA-N 0 3 392.503 3.077 20 30 GGEDHN CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112483359 1412154441 /nfs/dbraw/zinc/15/44/41/1412154441.db2.gz MLIXBRQCXRBGJJ-JKSUJKDBSA-N 0 3 387.530 3.108 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112483710 1412154622 /nfs/dbraw/zinc/15/46/22/1412154622.db2.gz JDLUIKAIJFUTJQ-CHWSQXEVSA-N 0 3 381.270 3.232 20 30 GGEDHN C[C@@H](N[C@@H](C)C(=O)N(C)CCC#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000112533489 1412164657 /nfs/dbraw/zinc/16/46/57/1412164657.db2.gz TWXPTNOEMUMSEV-CVEARBPZSA-N 0 3 396.466 3.489 20 30 GGEDHN C=C(C)COc1cc(CNCCNC(=O)c2c(F)cccc2F)ccc1OC ZINC000112710693 1412201048 /nfs/dbraw/zinc/20/10/48/1412201048.db2.gz SUQGHKKRHOXOPJ-UHFFFAOYSA-N 0 3 390.430 3.448 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cc(Cl)nc(N3CCCC3)c2)c1 ZINC000112758900 1412213260 /nfs/dbraw/zinc/21/32/60/1412213260.db2.gz MKEWOPXTOPDWBA-MRXNPFEDSA-N 0 3 398.850 3.305 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(Cl)nc(N2CCCC2)c1 ZINC000112759003 1412213279 /nfs/dbraw/zinc/21/32/79/1412213279.db2.gz VDJQCTGAUWCDRH-AWEZNQCLSA-N 0 3 398.850 3.305 20 30 GGEDHN C#CCOc1ccc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000113323813 1412292233 /nfs/dbraw/zinc/29/22/33/1412292233.db2.gz ARJNPVGWWIKAHM-QGZVFWFLSA-N 0 3 378.472 3.207 20 30 GGEDHN N#CCCn1cc(CNCc2ccnc(-n3cccn3)c2)c(-c2ccccc2)n1 ZINC000113320247 1412292821 /nfs/dbraw/zinc/29/28/21/1412292821.db2.gz MTGYFUHFUQHNPM-UHFFFAOYSA-N 0 3 383.459 3.334 20 30 GGEDHN C#CCCOc1ccc(CN[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000113331676 1412294444 /nfs/dbraw/zinc/29/44/44/1412294444.db2.gz MEFZTJXYDYVREF-QHCPKHFHSA-N 0 3 376.500 3.412 20 30 GGEDHN CC[C@H](C#N)Oc1cc(CNCc2cnc3c(c2)c(C)nn3C)ccc1OC ZINC000113347513 1412295038 /nfs/dbraw/zinc/29/50/38/1412295038.db2.gz BMMUVRRRUREREW-QGZVFWFLSA-N 0 3 379.464 3.256 20 30 GGEDHN N#CCOc1cccc(CNC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000113380486 1412301573 /nfs/dbraw/zinc/30/15/73/1412301573.db2.gz UQNNYENDKUBYDE-FQEVSTJZSA-N 0 3 378.476 3.053 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000113390210 1412303052 /nfs/dbraw/zinc/30/30/52/1412303052.db2.gz SHGVHCRUWGWYDB-IRXDYDNUSA-N 0 3 394.560 3.066 20 30 GGEDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000113646089 1412328946 /nfs/dbraw/zinc/32/89/46/1412328946.db2.gz OOFLXCCEVYQILG-INIZCTEOSA-N 0 3 388.537 3.012 20 30 GGEDHN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c(CN(C)C)c1 ZINC000113912252 1412350789 /nfs/dbraw/zinc/35/07/89/1412350789.db2.gz ACDFRVCTALVETP-UHFFFAOYSA-N 0 3 399.516 3.386 20 30 GGEDHN CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000113980987 1412363444 /nfs/dbraw/zinc/36/34/44/1412363444.db2.gz OZPDCKSCHSNDHX-FPOVZHCZSA-N 0 3 380.492 3.470 20 30 GGEDHN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1sccc1C#N ZINC000114205123 1412393383 /nfs/dbraw/zinc/39/33/83/1412393383.db2.gz VPNAPEVWTJHGJD-SFHVURJKSA-N 0 3 380.514 3.087 20 30 GGEDHN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1sccc1C#N ZINC000114205121 1412393726 /nfs/dbraw/zinc/39/37/26/1412393726.db2.gz VPNAPEVWTJHGJD-GOSISDBHSA-N 0 3 380.514 3.087 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)cc1OC ZINC000114618087 1412479106 /nfs/dbraw/zinc/47/91/06/1412479106.db2.gz AJKTWRVSDLZFAQ-MAUKXSAKSA-N 0 3 386.492 3.288 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1 ZINC000114810910 1412531111 /nfs/dbraw/zinc/53/11/11/1412531111.db2.gz ABZCLJQIALUQBX-NRFANRHFSA-N 0 3 392.503 3.389 20 30 GGEDHN N#Cc1ccc(OCCCN2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000177288714 1428673035 /nfs/dbraw/zinc/67/30/35/1428673035.db2.gz LSCZCKXFGQJPJA-UHFFFAOYSA-N 0 3 391.515 3.494 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000115678827 1412758146 /nfs/dbraw/zinc/75/81/46/1412758146.db2.gz YBTUKYDTMRGZSI-UHFFFAOYSA-N 0 3 389.887 3.230 20 30 GGEDHN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177304474 1428679715 /nfs/dbraw/zinc/67/97/15/1428679715.db2.gz DSMADXQGQPOTIY-JKSUJKDBSA-N 0 3 387.505 3.251 20 30 GGEDHN C[C@@H](N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(OCC#N)cc1 ZINC000177304492 1428680349 /nfs/dbraw/zinc/68/03/49/1428680349.db2.gz DSMADXQGQPOTIY-HZPDHXFCSA-N 0 3 387.505 3.251 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000116562184 1412877799 /nfs/dbraw/zinc/87/77/99/1412877799.db2.gz JZQPWJDVSFQWOW-PXNSSMCTSA-N 0 3 398.457 3.466 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2C)CC1 ZINC000177326256 1428690789 /nfs/dbraw/zinc/69/07/89/1428690789.db2.gz KVKIQKSHLPBADB-SFHVURJKSA-N 0 3 398.551 3.079 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCOC1CCCCCC1 ZINC000118586089 1413186155 /nfs/dbraw/zinc/18/61/55/1413186155.db2.gz KQLKQJWRSABYLB-UHFFFAOYSA-N 0 3 386.540 3.371 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cc2OCCCOC)CC1 ZINC000119125405 1413346870 /nfs/dbraw/zinc/34/68/70/1413346870.db2.gz VQRQXYGSFKSKSQ-UHFFFAOYSA-N 0 3 389.540 3.250 20 30 GGEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)c2ccccc2)cc1 ZINC000119657746 1413518295 /nfs/dbraw/zinc/51/82/95/1413518295.db2.gz NEYJAAUGFXUYJU-LJQANCHMSA-N 0 3 391.471 3.404 20 30 GGEDHN O=C(NCCNCc1cccc(OCc2ccc(F)cc2)c1)C1N=CC=CC1=O ZINC000119708828 1413540140 /nfs/dbraw/zinc/54/01/40/1413540140.db2.gz ZOWVTEQEOKGGES-QURGRASLSA-N 0 3 395.434 3.021 20 30 GGEDHN Cc1ccc(Cl)c(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000119807815 1413576372 /nfs/dbraw/zinc/57/63/72/1413576372.db2.gz NLRWLPYDOZOYOU-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN N#CC(C(=O)CSCc1coc(-c2ccccc2)n1)C(=O)NC1CCCC1 ZINC000119893001 1413607401 /nfs/dbraw/zinc/60/74/01/1413607401.db2.gz JLKZPGOXLHYQDA-QGZVFWFLSA-N 0 3 383.473 3.342 20 30 GGEDHN CCN1CCN(Cc2ccc(NC(=O)c3c(F)cc(C#N)cc3F)cc2)CC1 ZINC000119943838 1413626467 /nfs/dbraw/zinc/62/64/67/1413626467.db2.gz TUQDXUPEKAXOTR-UHFFFAOYSA-N 0 3 384.430 3.226 20 30 GGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120292827 1413770763 /nfs/dbraw/zinc/77/07/63/1413770763.db2.gz YPADUAKILRKZTI-CVEARBPZSA-N 0 3 397.523 3.352 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000120461844 1413823318 /nfs/dbraw/zinc/82/33/18/1413823318.db2.gz LSDAPDZMGZQHSK-AWEZNQCLSA-N 0 3 394.818 3.495 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000120461987 1413823693 /nfs/dbraw/zinc/82/36/93/1413823693.db2.gz LSDAPDZMGZQHSK-CQSZACIVSA-N 0 3 394.818 3.495 20 30 GGEDHN COc1ccccc1SCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000120506635 1413832669 /nfs/dbraw/zinc/83/26/69/1413832669.db2.gz HAYFIVSULILCNA-UHFFFAOYSA-N 0 3 383.517 3.249 20 30 GGEDHN CCO[C@@H]1C[C@H](N(C)Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1(C)C ZINC000120600381 1413851950 /nfs/dbraw/zinc/85/19/50/1413851950.db2.gz MNPYLFPMUXOTSS-AYOQOUSVSA-N 0 3 378.476 3.359 20 30 GGEDHN N#CCOc1cc(F)ccc1NC(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000120670185 1413870927 /nfs/dbraw/zinc/87/09/27/1413870927.db2.gz XRMFAGCTPRAOTA-UHFFFAOYSA-N 0 3 396.466 3.269 20 30 GGEDHN C#CCN1CCC(C(=O)NCCc2ccc(Oc3ccc(OC)cc3)cc2)CC1 ZINC000120719544 1413884345 /nfs/dbraw/zinc/88/43/45/1413884345.db2.gz MMIGSARDBPXNJI-UHFFFAOYSA-N 0 3 392.499 3.491 20 30 GGEDHN N#CCOc1ccccc1C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000120721211 1413884599 /nfs/dbraw/zinc/88/45/99/1413884599.db2.gz XBPDMFAICDAKCV-UHFFFAOYSA-N 0 3 379.460 3.046 20 30 GGEDHN CCc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cnn1CC(C)C ZINC000120857761 1413928234 /nfs/dbraw/zinc/92/82/34/1413928234.db2.gz NHWLFYNVDDCJPA-UHFFFAOYSA-N 0 3 381.524 3.177 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000177492873 1428767233 /nfs/dbraw/zinc/76/72/33/1428767233.db2.gz HRMOOKZAKSXWSB-AKJBCIBTSA-N 0 3 377.554 3.167 20 30 GGEDHN N#CC(C(=O)CCSc1ccc(Br)cc1)C(=O)N1CCCC1 ZINC000121174885 1414033332 /nfs/dbraw/zinc/03/33/32/1414033332.db2.gz OCACSQFTGKEJFT-CQSZACIVSA-N 0 3 381.295 3.263 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)COC/C=C/c1ccccc1 ZINC000121559970 1414177571 /nfs/dbraw/zinc/17/75/71/1414177571.db2.gz PNHOUMONHNKSAX-VEGGFIAOSA-N 0 3 378.428 3.463 20 30 GGEDHN N#CCOc1cc(F)ccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000121615494 1414201646 /nfs/dbraw/zinc/20/16/46/1414201646.db2.gz XUJKSLJQJIWFNY-UHFFFAOYSA-N 0 3 397.450 3.185 20 30 GGEDHN N#Cc1csc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000121657000 1414214127 /nfs/dbraw/zinc/21/41/27/1414214127.db2.gz VLEWVSLYZZAOED-UHFFFAOYSA-N 0 3 390.408 3.082 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2csc(-c3ccoc3)n2)c1 ZINC000121668418 1414217227 /nfs/dbraw/zinc/21/72/27/1414217227.db2.gz RWRNMQYELLZBHE-MRXNPFEDSA-N 0 3 381.413 3.302 20 30 GGEDHN Cc1oc(NC(=O)CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)c(C#N)c1C ZINC000121859958 1414281339 /nfs/dbraw/zinc/28/13/39/1414281339.db2.gz BQNFNZZUNXKFOB-HXUWFJFHSA-N 0 3 392.500 3.236 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000121859975 1414281620 /nfs/dbraw/zinc/28/16/20/1414281620.db2.gz ZEJXGEBKUBIOID-CQSZACIVSA-N 0 3 399.332 3.247 20 30 GGEDHN C[C@H](CCc1ccc(O)cc1)NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000121883674 1414290440 /nfs/dbraw/zinc/29/04/40/1414290440.db2.gz WDOBEUFJWASDFR-GOSISDBHSA-N 0 3 394.519 3.358 20 30 GGEDHN CCC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CCOC ZINC000121924880 1414309657 /nfs/dbraw/zinc/30/96/57/1414309657.db2.gz WSFMNKQKZNYQEI-GOSISDBHSA-N 0 3 384.442 3.369 20 30 GGEDHN COc1ccc(SCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000122069583 1414354229 /nfs/dbraw/zinc/35/42/29/1414354229.db2.gz FITXCGAFTVXKEE-UHFFFAOYSA-N 0 3 383.517 3.249 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nc(-c2cccs2)no1 ZINC000122193670 1414385172 /nfs/dbraw/zinc/38/51/72/1414385172.db2.gz GCKBGKQJSHHZOP-GFCCVEGCSA-N 0 3 377.429 3.494 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000122264960 1414406008 /nfs/dbraw/zinc/40/60/08/1414406008.db2.gz YVXQJOXJSGVGCT-OAHLLOKOSA-N 0 3 385.427 3.009 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000122284903 1414411505 /nfs/dbraw/zinc/41/15/05/1414411505.db2.gz BNZOCDLWCLXUQO-MJGOQNOKSA-N 0 3 398.507 3.110 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@@H](C)C(=O)c1cccc(F)c1 ZINC000177601081 1428807325 /nfs/dbraw/zinc/80/73/25/1428807325.db2.gz VXRFXPRNSUABNW-CJNGLKHVSA-N 0 3 382.391 3.391 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)C[C@H](C)C(=O)c1cccc(F)c1 ZINC000177601064 1428807481 /nfs/dbraw/zinc/80/74/81/1428807481.db2.gz VXRFXPRNSUABNW-BBRMVZONSA-N 0 3 382.391 3.391 20 30 GGEDHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000122414586 1414452176 /nfs/dbraw/zinc/45/21/76/1414452176.db2.gz BKJBXRGMVBUXNY-HNNXBMFYSA-N 0 3 399.457 3.026 20 30 GGEDHN N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000122493542 1414480355 /nfs/dbraw/zinc/48/03/55/1414480355.db2.gz WNAHDAPDZRJFFC-SFTDATJTSA-N 0 3 395.528 3.233 20 30 GGEDHN COc1cc(CNC2(C(N)=O)CCCCC2)ccc1OCc1cccc(C#N)c1 ZINC000122936585 1414600688 /nfs/dbraw/zinc/60/06/88/1414600688.db2.gz IVEKBMHRRLUYGB-UHFFFAOYSA-N 0 3 393.487 3.424 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000123075877 1414634662 /nfs/dbraw/zinc/63/46/62/1414634662.db2.gz HHYZCLZISMIXCW-YWZLYKJASA-N 0 3 399.466 3.108 20 30 GGEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2[nH]1 ZINC000123135724 1414651136 /nfs/dbraw/zinc/65/11/36/1414651136.db2.gz YWDWBLKRCXGSJP-MRXNPFEDSA-N 0 3 388.427 3.483 20 30 GGEDHN N#Cc1ccc(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC000123241523 1414676797 /nfs/dbraw/zinc/67/67/97/1414676797.db2.gz XRWATCPJRWFYQF-GOSISDBHSA-N 0 3 381.549 3.049 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000123252211 1414679104 /nfs/dbraw/zinc/67/91/04/1414679104.db2.gz AFRYNEUCKXXUPY-UHFFFAOYSA-N 0 3 379.435 3.064 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c(F)cccc1F ZINC000123291720 1414689261 /nfs/dbraw/zinc/68/92/61/1414689261.db2.gz XSVKZCVQBPRQHP-UHFFFAOYSA-N 0 3 386.446 3.152 20 30 GGEDHN N#Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC000123349779 1414703386 /nfs/dbraw/zinc/70/33/86/1414703386.db2.gz QKHWHNFHCDMBTE-HXUWFJFHSA-N 0 3 399.878 3.301 20 30 GGEDHN N#Cc1ccccc1/C=C/C(=O)Nc1cccc(CN2CCC(CO)CC2)c1 ZINC000177671816 1428829737 /nfs/dbraw/zinc/82/97/37/1428829737.db2.gz DEZALZJRVLOMER-CMDGGOBGSA-N 0 3 375.472 3.414 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1c(C)nn(C(F)F)c1C ZINC000123695476 1414811171 /nfs/dbraw/zinc/81/11/71/1414811171.db2.gz FTURGOOEHOKUAS-CQSZACIVSA-N 0 3 390.390 3.184 20 30 GGEDHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000123831613 1414831677 /nfs/dbraw/zinc/83/16/77/1414831677.db2.gz CZGQJIMWNVRCCI-IBGZPJMESA-N 0 3 389.499 3.016 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000177718141 1428841733 /nfs/dbraw/zinc/84/17/33/1428841733.db2.gz MZAHCURVKXIIMV-INIZCTEOSA-N 0 3 397.797 3.080 20 30 GGEDHN C#CCN1CCC(C(=O)NCCc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000124000223 1414866177 /nfs/dbraw/zinc/86/61/77/1414866177.db2.gz LFDFBTIXCKKRNW-UHFFFAOYSA-N 0 3 385.508 3.038 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2ccoc2)no1 ZINC000124052200 1414876623 /nfs/dbraw/zinc/87/66/23/1414876623.db2.gz BTAJDBYEJMDLLR-CQSZACIVSA-N 0 3 394.387 3.008 20 30 GGEDHN N#CC(C(=O)CCCc1nc(C2CC2)no1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000124072125 1414880345 /nfs/dbraw/zinc/88/03/45/1414880345.db2.gz RHLCFFRXARNAAN-GFCCVEGCSA-N 0 3 390.802 3.410 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124097217 1414885619 /nfs/dbraw/zinc/88/56/19/1414885619.db2.gz QMCZMZLCCXWVQH-FQEVSTJZSA-N 0 3 393.466 3.268 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000124344685 1414944739 /nfs/dbraw/zinc/94/47/39/1414944739.db2.gz ORRUUBGUPIYKJY-YPMHNXCESA-N 0 3 387.263 3.012 20 30 GGEDHN N#Cc1cc(F)c(S(=O)(=O)N2CCCN(CC3CCCCC3)CC2)c(F)c1 ZINC000124352317 1414947459 /nfs/dbraw/zinc/94/74/59/1414947459.db2.gz UVAVRHZQIIDXBZ-UHFFFAOYSA-N 0 3 397.491 3.113 20 30 GGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 ZINC000177771593 1428854707 /nfs/dbraw/zinc/85/47/07/1428854707.db2.gz VNYZYJUDCSUVHN-CQSZACIVSA-N 0 3 389.502 3.079 20 30 GGEDHN CCOc1ccc(-c2nc(CC(=O)C(C#N)C(=O)N3CCCC3)cs2)cc1 ZINC000124877694 1415065126 /nfs/dbraw/zinc/06/51/26/1415065126.db2.gz AZUPCRLWOGRHNU-QGZVFWFLSA-N 0 3 383.473 3.083 20 30 GGEDHN COCCN(CCN(C)C)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000177827303 1428866155 /nfs/dbraw/zinc/86/61/55/1428866155.db2.gz WYUMSKAPRDOGGS-UHFFFAOYSA-N 0 3 383.517 3.360 20 30 GGEDHN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000125444328 1415200611 /nfs/dbraw/zinc/20/06/11/1415200611.db2.gz BBKXPCQIPRNRRE-HOCLYGCPSA-N 0 3 380.872 3.056 20 30 GGEDHN CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000125487851 1415212672 /nfs/dbraw/zinc/21/26/72/1415212672.db2.gz VVKYNRPWFMMJHT-CABCVRRESA-N 0 3 382.512 3.269 20 30 GGEDHN Cc1ccc(-c2noc(CCC(=O)C(C#N)C(=O)NC3CCCCC3)n2)cc1F ZINC000125509666 1415216937 /nfs/dbraw/zinc/21/69/37/1415216937.db2.gz VVXSGAXLKMMEJH-INIZCTEOSA-N 0 3 398.438 3.275 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc(Cl)c1 ZINC000125534287 1415221840 /nfs/dbraw/zinc/22/18/40/1415221840.db2.gz OAKXGQNHVKMIFG-INIZCTEOSA-N 0 3 379.807 3.190 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 ZINC000125543999 1415223267 /nfs/dbraw/zinc/22/32/67/1415223267.db2.gz WVRDXKTWIHFSLY-LJQANCHMSA-N 0 3 387.443 3.408 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1 ZINC000125570381 1415228645 /nfs/dbraw/zinc/22/86/45/1415228645.db2.gz WDZLYKMWLGUGHT-HNNXBMFYSA-N 0 3 381.270 3.233 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)CC1 ZINC000125614161 1415238188 /nfs/dbraw/zinc/23/81/88/1415238188.db2.gz FXCUZLWUMNHEGX-HXUWFJFHSA-N 0 3 387.524 3.002 20 30 GGEDHN Cc1cccc(NC2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000125677653 1415252745 /nfs/dbraw/zinc/25/27/45/1415252745.db2.gz IFXOLWJHEJOLRC-QFIPXVFZSA-N 0 3 379.504 3.377 20 30 GGEDHN C[C@H](Sc1nnnn1C1CC1)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000125699852 1415257427 /nfs/dbraw/zinc/25/74/27/1415257427.db2.gz NMPGFQFJXMHJSY-FZMZJTMJSA-N 0 3 396.501 3.489 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2cccc(F)c2)cc1 ZINC000125714968 1415260858 /nfs/dbraw/zinc/26/08/58/1415260858.db2.gz YZVQQZXMXBKMGO-IBGZPJMESA-N 0 3 384.407 3.019 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2cccc(F)c2)cc1 ZINC000125715197 1415261166 /nfs/dbraw/zinc/26/11/66/1415261166.db2.gz YZVQQZXMXBKMGO-LJQANCHMSA-N 0 3 384.407 3.019 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000125802338 1415284938 /nfs/dbraw/zinc/28/49/38/1415284938.db2.gz RHTMDYPETDNICR-UHFFFAOYSA-N 0 3 387.487 3.007 20 30 GGEDHN C[C@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000126131492 1415366331 /nfs/dbraw/zinc/36/63/31/1415366331.db2.gz LBXFEYVJZVIVKU-YQHFOJDRSA-N 0 3 383.517 3.211 20 30 GGEDHN CC(C)NS(=O)(=O)Cc1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126173654 1415376646 /nfs/dbraw/zinc/37/66/46/1415376646.db2.gz BZZDEMNZJIIYBU-UHFFFAOYSA-N 0 3 397.544 3.228 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000126210377 1415384875 /nfs/dbraw/zinc/38/48/75/1415384875.db2.gz HROJFEBWAUUNFC-GOSISDBHSA-N 0 3 395.551 3.451 20 30 GGEDHN CCN(CC)S(=O)(=O)c1ccc(CNC2CC(C#N)(c3ccccc3)C2)cc1 ZINC000126213177 1415386228 /nfs/dbraw/zinc/38/62/28/1415386228.db2.gz MOYPFDWMZMIEBC-UHFFFAOYSA-N 0 3 397.544 3.431 20 30 GGEDHN N#CC1(c2ccccc2)CC(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000126250570 1415394077 /nfs/dbraw/zinc/39/40/77/1415394077.db2.gz VQDFGRQTXGOPAT-UHFFFAOYSA-N 0 3 395.528 3.185 20 30 GGEDHN N#CC(C(=O)CCc1ccc(Br)cc1F)C(=O)Nc1ccccn1 ZINC000126296951 1415409378 /nfs/dbraw/zinc/40/93/78/1415409378.db2.gz RVGQCASVAPMZLQ-ZDUSSCGKSA-N 0 3 390.212 3.263 20 30 GGEDHN COc1ccc(-c2cnc(CCC(=O)C(C#N)C(=O)Nc3ccccn3)o2)cc1 ZINC000126299306 1415411166 /nfs/dbraw/zinc/41/11/66/1415411166.db2.gz LKOJKWUVTIRXDD-MRXNPFEDSA-N 0 3 390.399 3.025 20 30 GGEDHN N#CCCN(CCC#N)C(=O)CN1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000177996880 1428922290 /nfs/dbraw/zinc/92/22/90/1428922290.db2.gz OEMPQJUIASYSHE-SFTDATJTSA-N 0 3 382.508 3.011 20 30 GGEDHN CC(C)NS(=O)(=O)Cc1ccccc1CNC1CC(C#N)(c2ccccc2)C1 ZINC000126723676 1415539703 /nfs/dbraw/zinc/53/97/03/1415539703.db2.gz KAJDNWQNGNIIBK-UHFFFAOYSA-N 0 3 397.544 3.228 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000126779886 1415556353 /nfs/dbraw/zinc/55/63/53/1415556353.db2.gz AEBHAVCSTXFTFF-MRXNPFEDSA-N 0 3 386.323 3.367 20 30 GGEDHN Cc1oc(-c2cccs2)nc1CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126887673 1415595658 /nfs/dbraw/zinc/59/56/58/1415595658.db2.gz CUODEWAPDLQUIY-OAHLLOKOSA-N 0 3 379.441 3.279 20 30 GGEDHN Cc1ccc(CNC(=O)C2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc1F ZINC000127096525 1415660103 /nfs/dbraw/zinc/66/01/03/1415660103.db2.gz UXFLWARBANOUQF-QFIPXVFZSA-N 0 3 395.478 3.068 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccsc3)o2)c1 ZINC000127148824 1415671846 /nfs/dbraw/zinc/67/18/46/1415671846.db2.gz FPADAPDUJLXWIP-HNNXBMFYSA-N 0 3 396.428 3.087 20 30 GGEDHN N#Cc1cccc(OC2CCN(C[C@H](O)COc3cccc4[nH]ccc43)CC2)c1 ZINC000127203367 1415685274 /nfs/dbraw/zinc/68/52/74/1415685274.db2.gz KINYCUWKEJSLBO-SFHVURJKSA-N 0 3 391.471 3.323 20 30 GGEDHN C=C(C)COc1cc(CNCc2ccnc(N3CCN(C)CC3)c2)ccc1OC ZINC000127279301 1415715712 /nfs/dbraw/zinc/71/57/12/1415715712.db2.gz OIDLPDPLPKUYLB-UHFFFAOYSA-N 0 3 396.535 3.087 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000127725825 1415839702 /nfs/dbraw/zinc/83/97/02/1415839702.db2.gz JINMLAXGGDBOEJ-FUHWJXTLSA-N 0 3 375.428 3.234 20 30 GGEDHN COc1ccc(CCCC(=O)C(C#N)C(=O)NCc2ccc(OC)cc2)cc1 ZINC000127900434 1415872633 /nfs/dbraw/zinc/87/26/33/1415872633.db2.gz NFOIIRBGRRHLMF-FQEVSTJZSA-N 0 3 380.444 3.052 20 30 GGEDHN Cc1ccc(-n2cnnc2SCC(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000128043191 1415900077 /nfs/dbraw/zinc/90/00/77/1415900077.db2.gz HEQYENNTAGGGHY-KRWDZBQOSA-N 0 3 391.456 3.015 20 30 GGEDHN N#CC(C(=O)CCCc1nc(-c2cccs2)no1)C(=O)Nc1ccccc1 ZINC000128218519 1415942056 /nfs/dbraw/zinc/94/20/56/1415942056.db2.gz YOUVRANSZFEUST-AWEZNQCLSA-N 0 3 380.429 3.468 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000128454844 1415991029 /nfs/dbraw/zinc/99/10/29/1415991029.db2.gz ITNYKNSPWZMWET-INIZCTEOSA-N 0 3 394.922 3.398 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000178257725 1429035786 /nfs/dbraw/zinc/03/57/86/1429035786.db2.gz HBJUMDXCCBYODN-RTBURBONSA-N 0 3 383.536 3.229 20 30 GGEDHN N#Cc1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1Cl ZINC000128672749 1416039358 /nfs/dbraw/zinc/03/93/58/1416039358.db2.gz KGQWCHJSNMBMNF-UHFFFAOYSA-N 0 3 383.879 3.098 20 30 GGEDHN COC(=O)CC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000178327617 1429052138 /nfs/dbraw/zinc/05/21/38/1429052138.db2.gz ZRSJYOSVKRKPPS-UHFFFAOYSA-N 0 3 388.512 3.352 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000128771227 1416064264 /nfs/dbraw/zinc/06/42/64/1416064264.db2.gz ZOYKSLKCKJSISY-QGZVFWFLSA-N 0 3 386.879 3.495 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cncc(Br)c1 ZINC000128907420 1416098876 /nfs/dbraw/zinc/09/88/76/1416098876.db2.gz YOZQOFJTPISDRP-CYBMUJFWSA-N 0 3 388.221 3.204 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1cncc(Br)c1 ZINC000128907258 1416098988 /nfs/dbraw/zinc/09/89/88/1416098988.db2.gz YOZQOFJTPISDRP-ZDUSSCGKSA-N 0 3 388.221 3.204 20 30 GGEDHN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(CN2CCOCC2)CC1 ZINC000178356041 1429059776 /nfs/dbraw/zinc/05/97/76/1429059776.db2.gz ZGBKBXSQENXLKF-UHFFFAOYSA-N 0 3 388.874 3.448 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccc(C(F)(F)F)nc1 ZINC000128979150 1416118841 /nfs/dbraw/zinc/11/88/41/1416118841.db2.gz TUNBQFQHBHVMOI-GFCCVEGCSA-N 0 3 377.322 3.460 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1c(Cl)nc2ccccn21 ZINC000128992722 1416121503 /nfs/dbraw/zinc/12/15/03/1416121503.db2.gz UEEGIHKQSKPTAU-GFCCVEGCSA-N 0 3 382.807 3.348 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000129035662 1416130336 /nfs/dbraw/zinc/13/03/36/1416130336.db2.gz DWJFXQKSYFUERI-MRXNPFEDSA-N 0 3 392.390 3.371 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000129109351 1416147043 /nfs/dbraw/zinc/14/70/43/1416147043.db2.gz WZGDPHOBLQINRQ-SFTDATJTSA-N 0 3 389.515 3.464 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(OC2CCC2)c1 ZINC000129820658 1416268791 /nfs/dbraw/zinc/26/87/91/1416268791.db2.gz BJJUCWPLTGFCDO-UHFFFAOYSA-N 0 3 378.476 3.089 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000129884139 1416279586 /nfs/dbraw/zinc/27/95/86/1416279586.db2.gz MPIWBTMGHVLJEY-UHFFFAOYSA-N 0 3 377.275 3.464 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CSc1ccc(F)c(F)c1 ZINC000129938304 1416288283 /nfs/dbraw/zinc/28/82/83/1416288283.db2.gz UPIYZTRBDUGIQC-LBPRGKRZSA-N 0 3 376.384 3.413 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2C)c1C ZINC000129979457 1416295117 /nfs/dbraw/zinc/29/51/17/1416295117.db2.gz SAVPUQVYIHBFPC-INIZCTEOSA-N 0 3 388.427 3.459 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COc1ccc(F)c(Cl)c1 ZINC000129976687 1416295304 /nfs/dbraw/zinc/29/53/04/1416295304.db2.gz UFLSFELQIHNGIA-LBPRGKRZSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000130003784 1416300672 /nfs/dbraw/zinc/30/06/72/1416300672.db2.gz JEJGPOSNVSYKEZ-CQSZACIVSA-N 0 3 380.448 3.485 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCOc1ccc2c(c1)OCO2 ZINC000130000993 1416300911 /nfs/dbraw/zinc/30/09/11/1416300911.db2.gz WUKKBBIQGSEBLZ-OAHLLOKOSA-N 0 3 377.400 3.337 20 30 GGEDHN CC(C)(O)CN1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000130007959 1416301435 /nfs/dbraw/zinc/30/14/35/1416301435.db2.gz NKILANQQGOKRLG-UHFFFAOYSA-N 0 3 379.504 3.026 20 30 GGEDHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000130116629 1416321270 /nfs/dbraw/zinc/32/12/70/1416321270.db2.gz IYNHPBJRDYJATJ-UHFFFAOYSA-N 0 3 394.475 3.316 20 30 GGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000130124371 1416322632 /nfs/dbraw/zinc/32/26/32/1416322632.db2.gz JNFBQDPOZKHMLD-NSHDSACASA-N 0 3 391.742 3.357 20 30 GGEDHN CN(C)Cc1cccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 ZINC000130168843 1416331228 /nfs/dbraw/zinc/33/12/28/1416331228.db2.gz PUJGORWAYVVNBR-UHFFFAOYSA-N 0 3 385.489 3.078 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(C(C)C)no2)cc1Cl ZINC000130354126 1416363822 /nfs/dbraw/zinc/36/38/22/1416363822.db2.gz AVFGQMRFETWNNS-GFCCVEGCSA-N 0 3 390.827 3.135 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)CC1 ZINC000130380963 1416368149 /nfs/dbraw/zinc/36/81/49/1416368149.db2.gz ODYIEOSOGMRJPW-UHFFFAOYSA-N 0 3 398.482 3.083 20 30 GGEDHN CN(C)Cc1c2ccccc2oc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 ZINC000130448258 1416380033 /nfs/dbraw/zinc/38/00/33/1416380033.db2.gz NWVHFCDFIFQYPV-UHFFFAOYSA-N 0 3 375.428 3.269 20 30 GGEDHN Cc1nn(C)c(C)c1CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130469818 1416383292 /nfs/dbraw/zinc/38/32/92/1416383292.db2.gz BCMOJTDECNVGIQ-OAHLLOKOSA-N 0 3 379.247 3.234 20 30 GGEDHN N#CC(C(=O)CCOC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130499957 1416389326 /nfs/dbraw/zinc/38/93/26/1416389326.db2.gz XHZLCBNMFHMZEW-GJZGRUSLSA-N 0 3 385.247 3.226 20 30 GGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2CCCC[C@H]2C(N)=O)c1C#N ZINC000130661116 1416419840 /nfs/dbraw/zinc/41/98/40/1416419840.db2.gz DSTYWAOCOOCFSE-IEBWSBKVSA-N 0 3 399.539 3.054 20 30 GGEDHN Cn1ccnc1C[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000131306106 1416537667 /nfs/dbraw/zinc/53/76/67/1416537667.db2.gz AZNSNGAYGAWRSX-QGZVFWFLSA-N 0 3 399.926 3.275 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(-c3ccsc3)no2)cc1 ZINC000131704497 1416599964 /nfs/dbraw/zinc/59/99/64/1416599964.db2.gz DBJNNRJXYBNTBJ-HNNXBMFYSA-N 0 3 396.428 3.087 20 30 GGEDHN C=CCNc1ncc(C(=O)N(CCN(C)C)Cc2ccc(F)c(F)c2)s1 ZINC000132046865 1416682122 /nfs/dbraw/zinc/68/21/22/1416682122.db2.gz UUHHHEJLWWKGOQ-UHFFFAOYSA-N 0 3 380.464 3.223 20 30 GGEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCC2)C(=O)NCc1ccccc1 ZINC000132319202 1416734843 /nfs/dbraw/zinc/73/48/43/1416734843.db2.gz APXAKAAZSRMGGP-OAQYLSRUSA-N 0 3 376.456 3.360 20 30 GGEDHN N#CC(C(=O)CCCOc1ccc2c(c1)CCC2)C(=O)NCc1ccccc1 ZINC000132318980 1416735248 /nfs/dbraw/zinc/73/52/48/1416735248.db2.gz APXAKAAZSRMGGP-NRFANRHFSA-N 0 3 376.456 3.360 20 30 GGEDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000133212316 1416864964 /nfs/dbraw/zinc/86/49/64/1416864964.db2.gz MMGPPWCCXHSFQE-UHFFFAOYSA-N 0 3 377.488 3.254 20 30 GGEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC1CC1 ZINC000178701138 1429145732 /nfs/dbraw/zinc/14/57/32/1429145732.db2.gz CXHFAEWAMPYFIB-QGZVFWFLSA-N 0 3 384.524 3.088 20 30 GGEDHN Cc1cccc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)c1C#N ZINC000133912737 1416993684 /nfs/dbraw/zinc/99/36/84/1416993684.db2.gz VZVJZLQTMWYQFK-LJQANCHMSA-N 0 3 383.517 3.009 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000178711680 1429148626 /nfs/dbraw/zinc/14/86/26/1429148626.db2.gz MLABEDQJGALRQR-PMACEKPBSA-N 0 3 375.488 3.074 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000178711666 1429149091 /nfs/dbraw/zinc/14/90/91/1429149091.db2.gz MLABEDQJGALRQR-UXHICEINSA-N 0 3 375.488 3.074 20 30 GGEDHN CC[C@](C)(CC(=O)OC)NCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000134170751 1417033177 /nfs/dbraw/zinc/03/31/77/1417033177.db2.gz STAMQIPYXFEJNP-LJQANCHMSA-N 0 3 377.510 3.149 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000134175174 1417033522 /nfs/dbraw/zinc/03/35/22/1417033522.db2.gz UHUKDHIBNWKFSI-INIZCTEOSA-N 0 3 383.496 3.180 20 30 GGEDHN CC[C@H](CNC(=O)Cc1cccc(OCC#N)c1)N1CCc2ccccc2C1 ZINC000134520233 1417080940 /nfs/dbraw/zinc/08/09/40/1417080940.db2.gz ZYUYQSFHSBILLO-OAQYLSRUSA-N 0 3 377.488 3.085 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000134929869 1417147296 /nfs/dbraw/zinc/14/72/96/1417147296.db2.gz BAEIUCJEVWWBAG-UWJYYQICSA-N 0 3 393.535 3.125 20 30 GGEDHN COc1ccc(CN(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000135073441 1417170203 /nfs/dbraw/zinc/17/02/03/1417170203.db2.gz YBGINVCTQNOHOF-QGZVFWFLSA-N 0 3 394.393 3.457 20 30 GGEDHN C=CCNc1ncc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)s1 ZINC000136098837 1417291664 /nfs/dbraw/zinc/29/16/64/1417291664.db2.gz YYDNHDFGKLHROI-UHFFFAOYSA-N 0 3 385.537 3.444 20 30 GGEDHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)NC1(C#N)CCCCC1 ZINC000136239282 1417303981 /nfs/dbraw/zinc/30/39/81/1417303981.db2.gz VYSRDTXWBWVTRF-SFHVURJKSA-N 0 3 378.904 3.215 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccc(C)n3C)n2)c1 ZINC000136578793 1417328805 /nfs/dbraw/zinc/32/88/05/1417328805.db2.gz ORQCNHKSOQKHHX-HNNXBMFYSA-N 0 3 394.456 3.427 20 30 GGEDHN Cc1nc(C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)ccc1C#N ZINC000178812828 1429177934 /nfs/dbraw/zinc/17/79/34/1429177934.db2.gz QUKKAVTUPQDXBR-IBGZPJMESA-N 0 3 386.459 3.158 20 30 GGEDHN COc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000178820592 1429181507 /nfs/dbraw/zinc/18/15/07/1429181507.db2.gz YVPHRLDQLMIMKV-UHFFFAOYSA-N 0 3 397.435 3.071 20 30 GGEDHN N#Cc1cccc(OCC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000138675279 1417432833 /nfs/dbraw/zinc/43/28/33/1417432833.db2.gz GERQONIDTZMIRG-UHFFFAOYSA-N 0 3 381.501 3.167 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(Cl)cc1 ZINC000138929017 1417442692 /nfs/dbraw/zinc/44/26/92/1417442692.db2.gz NBGHJCXMESFTOT-OAHLLOKOSA-N 0 3 379.807 3.190 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)cnn1-c1ccc(Cl)cc1 ZINC000138929086 1417442901 /nfs/dbraw/zinc/44/29/01/1417442901.db2.gz NBGHJCXMESFTOT-HNNXBMFYSA-N 0 3 379.807 3.190 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCC([C@@H](O)C(F)(F)F)CC2)cc1Cl ZINC000141106147 1417526384 /nfs/dbraw/zinc/52/63/84/1417526384.db2.gz MKAOGMJQIJWQRQ-MRXNPFEDSA-N 0 3 389.805 3.175 20 30 GGEDHN COc1ccc(CN[C@H]2CC(=O)N(c3ccccc3)C2)cc1OCCCC#N ZINC000147201131 1417741209 /nfs/dbraw/zinc/74/12/09/1417741209.db2.gz LMEYFWJLRBTQKX-SFHVURJKSA-N 0 3 379.460 3.273 20 30 GGEDHN CCS(=O)(=O)c1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000178883032 1429210036 /nfs/dbraw/zinc/21/00/36/1429210036.db2.gz WFCJOTDJKMVFBY-MRXNPFEDSA-N 0 3 382.441 3.430 20 30 GGEDHN Cc1nn(C)c(C)c1OCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000151202340 1417893251 /nfs/dbraw/zinc/89/32/51/1417893251.db2.gz IXWOGCRLMKPVIK-CQSZACIVSA-N 0 3 395.246 3.070 20 30 GGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COc2c(C)nn(C)c2C)cc1 ZINC000151207301 1417893846 /nfs/dbraw/zinc/89/38/46/1417893846.db2.gz ZLFXITHIDLDTAP-FZKQIMNGSA-N 0 3 382.464 3.277 20 30 GGEDHN C[C@H]1CN(C2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCO1 ZINC000178920990 1429220622 /nfs/dbraw/zinc/22/06/22/1429220622.db2.gz MSTLKODLEUFNQR-INIZCTEOSA-N 0 3 382.426 3.122 20 30 GGEDHN Cc1ccc([C@H](CNC(=O)CCCC(=O)Nc2ccccc2C#N)N(C)C)cc1 ZINC000151326966 1417927388 /nfs/dbraw/zinc/92/73/88/1417927388.db2.gz MVXNQJSXHVMUSR-NRFANRHFSA-N 0 3 392.503 3.395 20 30 GGEDHN N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000151334235 1417928842 /nfs/dbraw/zinc/92/88/42/1417928842.db2.gz SECPVPWBUPBJCG-UHFFFAOYSA-N 0 3 396.535 3.392 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)c1c(F)cc(C#N)cc1F ZINC000151415316 1417957471 /nfs/dbraw/zinc/95/74/71/1417957471.db2.gz KITYOGACNLFOHS-UHFFFAOYSA-N 0 3 379.357 3.319 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)CNc1cccc(C#N)c1)c1cccc(OC)c1 ZINC000151570248 1418027969 /nfs/dbraw/zinc/02/79/69/1418027969.db2.gz QQFGQTDIXUOFAG-OAQYLSRUSA-N 0 3 380.492 3.178 20 30 GGEDHN CC(C)OC1CCC(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC000152064243 1418134964 /nfs/dbraw/zinc/13/49/64/1418134964.db2.gz WNLHXJIUCWFXPZ-UHFFFAOYSA-N 0 3 386.540 3.368 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1csc(-c2ccoc2)n1 ZINC000152091834 1418142956 /nfs/dbraw/zinc/14/29/56/1418142956.db2.gz HVULMQPFZLNFDR-UHFFFAOYSA-N 0 3 394.500 3.408 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](c2ccccn2)c2ccccc2OC)CC1 ZINC000179307614 1429323474 /nfs/dbraw/zinc/32/34/74/1429323474.db2.gz MAZKYIXAFJETPZ-OAQYLSRUSA-N 0 3 380.492 3.129 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cccc(OCC(F)F)n1 ZINC000179341585 1429335826 /nfs/dbraw/zinc/33/58/26/1429335826.db2.gz KOFHXVTUMXOWKD-GFCCVEGCSA-N 0 3 379.750 3.340 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC000179488311 1429391056 /nfs/dbraw/zinc/39/10/56/1429391056.db2.gz OSCQOJNJMHXEMV-QGZVFWFLSA-N 0 3 391.406 3.238 20 30 GGEDHN CCc1ccc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179665281 1429497656 /nfs/dbraw/zinc/49/76/56/1429497656.db2.gz YUMONCZUMILGAU-PXNSSMCTSA-N 0 3 396.560 3.370 20 30 GGEDHN CCc1ccc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)cc1 ZINC000179665290 1429497982 /nfs/dbraw/zinc/49/79/82/1429497982.db2.gz YUMONCZUMILGAU-YLJYHZDGSA-N 0 3 396.560 3.370 20 30 GGEDHN Cc1cc(C)cc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000179671235 1429500102 /nfs/dbraw/zinc/50/01/02/1429500102.db2.gz IGMVGKWGLUHBNN-QUCCMNQESA-N 0 3 396.560 3.425 20 30 GGEDHN Cc1cccc(C(C)(C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000179672739 1429500606 /nfs/dbraw/zinc/50/06/06/1429500606.db2.gz KVLNRISWZXAVNK-IBGZPJMESA-N 0 3 396.560 3.290 20 30 GGEDHN Cc1cccc([C@H](C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1C ZINC000179672613 1429500930 /nfs/dbraw/zinc/50/09/30/1429500930.db2.gz IRZIDXMLOZMJQS-AZUAARDMSA-N 0 3 396.560 3.425 20 30 GGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000179716637 1429519920 /nfs/dbraw/zinc/51/99/20/1429519920.db2.gz SQCSQAHTFADWSF-GOSISDBHSA-N 0 3 392.503 3.304 20 30 GGEDHN N#CCCN(C(=O)CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179744863 1429534171 /nfs/dbraw/zinc/53/41/71/1429534171.db2.gz FDWKZIFMUYCVNJ-QHCPKHFHSA-N 0 3 391.471 3.445 20 30 GGEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc(C#N)c1 ZINC000179753107 1429539509 /nfs/dbraw/zinc/53/95/09/1429539509.db2.gz XVXNFPBUTFZLAV-SZNDQCEHSA-N 0 3 377.444 3.397 20 30 GGEDHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000179754771 1429540315 /nfs/dbraw/zinc/54/03/15/1429540315.db2.gz VMMVYUDCALZILH-UHFFFAOYSA-N 0 3 392.455 3.278 20 30 GGEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757209 1429542856 /nfs/dbraw/zinc/54/28/56/1429542856.db2.gz CLEZPUZTEVKVLA-YWZLYKJASA-N 0 3 383.492 3.230 20 30 GGEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757180 1429542892 /nfs/dbraw/zinc/54/28/92/1429542892.db2.gz CLEZPUZTEVKVLA-MGPUTAFESA-N 0 3 383.492 3.230 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Nc3cccc(OC)c3)CC2)CC1 ZINC000152938400 1422301463 /nfs/dbraw/zinc/30/14/63/1422301463.db2.gz RMDSSEKJVABHOS-UHFFFAOYSA-N 0 3 386.540 3.322 20 30 GGEDHN C[C@@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762888 1429546301 /nfs/dbraw/zinc/54/63/01/1429546301.db2.gz OKCWNCNICGNFAG-SPLOXXLWSA-N 0 3 377.444 3.397 20 30 GGEDHN N#CCC[C@H](NC(=O)CCN1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000153243197 1422414700 /nfs/dbraw/zinc/41/47/00/1422414700.db2.gz GRVVBLLLHQKCFZ-QFIPXVFZSA-N 0 3 376.504 3.360 20 30 GGEDHN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000153274184 1422432260 /nfs/dbraw/zinc/43/22/60/1422432260.db2.gz WBXMVAAJHJFUTI-HNNXBMFYSA-N 0 3 382.512 3.187 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2c(F)cccc2F)cc1OC ZINC000153325529 1422470228 /nfs/dbraw/zinc/47/02/28/1422470228.db2.gz HDPZGDUCVBZQJL-DGCLKSJQSA-N 0 3 388.370 3.433 20 30 GGEDHN C#CCN1CCC(C(=O)NCCc2cc(Cl)ccc2Br)CC1 ZINC000153490973 1422567211 /nfs/dbraw/zinc/56/72/11/1422567211.db2.gz PBWPEJAUPDTYTN-UHFFFAOYSA-N 0 3 383.717 3.106 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000154231186 1422859147 /nfs/dbraw/zinc/85/91/47/1422859147.db2.gz WMSOTMIPGWIXLZ-UHFFFAOYSA-N 0 3 378.451 3.312 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000154708837 1423008065 /nfs/dbraw/zinc/00/80/65/1423008065.db2.gz JCZXHBPOJPYAQF-UHFFFAOYSA-N 0 3 385.508 3.203 20 30 GGEDHN C#CCCCCNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000154857681 1423056800 /nfs/dbraw/zinc/05/68/00/1423056800.db2.gz HRWXUTSJPKYLNC-UHFFFAOYSA-N 0 3 380.330 3.326 20 30 GGEDHN CN(C)CC(=O)Nc1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000179852335 1429610526 /nfs/dbraw/zinc/61/05/26/1429610526.db2.gz LHWZZNCHEZMVTQ-UHFFFAOYSA-N 0 3 391.519 3.135 20 30 GGEDHN C=CCc1cc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc(OC)c1O ZINC000179855822 1429611220 /nfs/dbraw/zinc/61/12/20/1429611220.db2.gz OHLNVXJUSXQORO-UHFFFAOYSA-N 0 3 385.464 3.276 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000155055264 1423137872 /nfs/dbraw/zinc/13/78/72/1423137872.db2.gz PQAWTTHXJSUSSN-SCLBCKFNSA-N 0 3 386.835 3.141 20 30 GGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 ZINC000155507644 1423392141 /nfs/dbraw/zinc/39/21/41/1423392141.db2.gz BBNNUVCLZUKXBH-SJORKVTESA-N 0 3 378.476 3.062 20 30 GGEDHN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(CN(C)C)c2)C1=O ZINC000155517611 1423396468 /nfs/dbraw/zinc/39/64/68/1423396468.db2.gz ZYLKVFFHWKELCK-OAQYLSRUSA-N 0 3 388.512 3.064 20 30 GGEDHN CCCNC(=O)C1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179918243 1429640494 /nfs/dbraw/zinc/64/04/94/1429640494.db2.gz CUPRBLFPRVSZHE-UHFFFAOYSA-N 0 3 379.508 3.202 20 30 GGEDHN CCCCNC(=O)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179934035 1429649357 /nfs/dbraw/zinc/64/93/57/1429649357.db2.gz QRZWHQHRFHZQQU-UHFFFAOYSA-N 0 3 379.508 3.087 20 30 GGEDHN Cc1nc(C(C#N)C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)sc1C ZINC000155663012 1423475115 /nfs/dbraw/zinc/47/51/15/1423475115.db2.gz RMGHSAPPKGSLAG-OAHLLOKOSA-N 0 3 378.461 3.211 20 30 GGEDHN N#Cc1ccc(C(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000155674735 1423480297 /nfs/dbraw/zinc/48/02/97/1423480297.db2.gz CXPQCTYIOGBPTQ-KRWDZBQOSA-N 0 3 396.878 3.161 20 30 GGEDHN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(C)CC2CCOCC2)c1C#N ZINC000155907449 1423589019 /nfs/dbraw/zinc/58/90/19/1423589019.db2.gz SPEUHROCCFPTAV-UHFFFAOYSA-N 0 3 394.519 3.322 20 30 GGEDHN CCCCN(C)C(=O)C1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179948053 1429657492 /nfs/dbraw/zinc/65/74/92/1429657492.db2.gz JNVWEHMXKSFIEX-UHFFFAOYSA-N 0 3 393.535 3.429 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccc(OCC(F)F)nc1 ZINC000156090980 1423667809 /nfs/dbraw/zinc/66/78/09/1423667809.db2.gz JUSOUTYSJZHRLG-NSHDSACASA-N 0 3 397.740 3.479 20 30 GGEDHN CCN1CCN(CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000156095062 1423670385 /nfs/dbraw/zinc/67/03/85/1423670385.db2.gz WJOKOWXBXCWWOR-UHFFFAOYSA-N 0 3 391.519 3.059 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN(C)C2CCC(CO)CC2)c1C#N ZINC000156275414 1423752784 /nfs/dbraw/zinc/75/27/84/1423752784.db2.gz DFOGSXNTLNEMIL-UHFFFAOYSA-N 0 3 398.507 3.039 20 30 GGEDHN CN(C)CCN(Cc1cccs1)C(=O)CCCC(=O)Nc1ccccc1C#N ZINC000156950787 1423892002 /nfs/dbraw/zinc/89/20/02/1423892002.db2.gz IVNGUEQKSIMUCC-UHFFFAOYSA-N 0 3 398.532 3.319 20 30 GGEDHN Cc1oc(NC(=O)CN(C)[C@H]2CCCN(Cc3ccccc3)C2)c(C#N)c1C ZINC000157112810 1423928223 /nfs/dbraw/zinc/92/82/23/1423928223.db2.gz OOBZZXFLVTXTSX-IBGZPJMESA-N 0 3 380.492 3.303 20 30 GGEDHN Cn1cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180011266 1429690603 /nfs/dbraw/zinc/69/06/03/1429690603.db2.gz BOXXPRISRQFCFX-NRFANRHFSA-N 0 3 380.492 3.119 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cc(F)c(F)cc1F ZINC000158164145 1424183881 /nfs/dbraw/zinc/18/38/81/1424183881.db2.gz UMIDUTXEXATWPZ-UHFFFAOYSA-N 0 3 375.394 3.108 20 30 GGEDHN CCN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000158196866 1424192244 /nfs/dbraw/zinc/19/22/44/1424192244.db2.gz QETRHOBZJYNXAI-UHFFFAOYSA-N 0 3 385.556 3.448 20 30 GGEDHN COc1ccccc1-c1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000158625487 1424304953 /nfs/dbraw/zinc/30/49/53/1424304953.db2.gz QQWFSFYKACXTFO-OAHLLOKOSA-N 0 3 385.427 3.472 20 30 GGEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000159047144 1424404581 /nfs/dbraw/zinc/40/45/81/1424404581.db2.gz JZUFUEDLHBZQHU-QFIPXVFZSA-N 0 3 392.503 3.485 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2c(C)noc2C)cc1Cl ZINC000159788822 1424536411 /nfs/dbraw/zinc/53/64/11/1424536411.db2.gz CEUUWLBKUHTSBD-TVQRCGJNSA-N 0 3 375.812 3.405 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cn2nc(C)c(Cl)c2C)cc1Cl ZINC000159789324 1424537088 /nfs/dbraw/zinc/53/70/88/1424537088.db2.gz PYJBURAKXJGKCJ-LBPRGKRZSA-N 0 3 395.246 3.163 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2nc(-c3ccco3)oc2C)cc1 ZINC000159803112 1424537660 /nfs/dbraw/zinc/53/76/60/1424537660.db2.gz MIIBNOXULMVBOQ-HNNXBMFYSA-N 0 3 379.372 3.142 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)cc1 ZINC000159944357 1424554737 /nfs/dbraw/zinc/55/47/37/1424554737.db2.gz OZQDQUCRLXSXLD-UWJYYQICSA-N 0 3 392.503 3.387 20 30 GGEDHN Cn1cc(CNCc2cccc(Cn3cccn3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000180098690 1429737456 /nfs/dbraw/zinc/73/74/56/1429737456.db2.gz JDLOKKWQYUYVDL-UHFFFAOYSA-N 0 3 382.471 3.493 20 30 GGEDHN C[C@H]1CN(CC2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000160913322 1424644316 /nfs/dbraw/zinc/64/43/16/1424644316.db2.gz ALVJCZXMHGRRSV-ROUUACIJSA-N 0 3 399.535 3.063 20 30 GGEDHN CN1CCN(c2cccc(Cl)c2CNCc2ccc(OCC#N)cc2)CC1 ZINC000180125439 1429748455 /nfs/dbraw/zinc/74/84/55/1429748455.db2.gz DSBQGQHCKNHWGZ-UHFFFAOYSA-N 0 3 384.911 3.284 20 30 GGEDHN CCCCc1nnc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000161913795 1424794690 /nfs/dbraw/zinc/79/46/90/1424794690.db2.gz JBCNDOMADUWMKY-UHFFFAOYSA-N 0 3 386.525 3.348 20 30 GGEDHN C[C@H](Cc1ccc(Br)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000161970874 1424804741 /nfs/dbraw/zinc/80/47/41/1424804741.db2.gz ZXEZKQFJJNWYPT-WBMJQRKESA-N 0 3 377.282 3.395 20 30 GGEDHN C#CCOc1ccc([C@H](C)NCc2ccccc2OCCN2CCOCC2)cc1 ZINC000162021862 1424809608 /nfs/dbraw/zinc/80/96/08/1424809608.db2.gz DOSMALMFZLEMBD-FQEVSTJZSA-N 0 3 394.515 3.260 20 30 GGEDHN C[C@@H](NC(C)(C)CNS(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000162146675 1424820145 /nfs/dbraw/zinc/82/01/45/1424820145.db2.gz LZYWMRMOSQYHLL-OAHLLOKOSA-N 0 3 389.496 3.246 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000162393357 1424845673 /nfs/dbraw/zinc/84/56/73/1424845673.db2.gz QQUMKUCYHWFWNA-UHFFFAOYSA-N 0 3 398.414 3.024 20 30 GGEDHN CC(=O)Nc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000162446870 1424852888 /nfs/dbraw/zinc/85/28/88/1424852888.db2.gz ZXBPBSSKNVTLGS-UHFFFAOYSA-N 0 3 379.464 3.112 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nnc(C2CCCC2)o1 ZINC000162449610 1424853569 /nfs/dbraw/zinc/85/35/69/1424853569.db2.gz KZWBPMOUFAAMRQ-HNNXBMFYSA-N 0 3 396.447 3.406 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(C3CCCC3)o2)cc1 ZINC000162486273 1424857801 /nfs/dbraw/zinc/85/78/01/1424857801.db2.gz OTZMWJWAYXFUBF-MRXNPFEDSA-N 0 3 382.420 3.016 20 30 GGEDHN CC(=O)Nc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000162796633 1424891102 /nfs/dbraw/zinc/89/11/02/1424891102.db2.gz APNOTYZRCUEOPR-UHFFFAOYSA-N 0 3 393.491 3.421 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000162932042 1424908127 /nfs/dbraw/zinc/90/81/27/1424908127.db2.gz VAWWKMWRUSKKSQ-GOSISDBHSA-N 0 3 386.515 3.411 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1OCC#N ZINC000180157117 1429767944 /nfs/dbraw/zinc/76/79/44/1429767944.db2.gz JVETWQXDSKDLOK-VWWJITKZSA-N 0 3 391.471 3.172 20 30 GGEDHN C=CCn1c(SC[C@H](O)CN(C)Cc2ccccc2)nnc1-c1ccccn1 ZINC000163847232 1425050121 /nfs/dbraw/zinc/05/01/21/1425050121.db2.gz RWAHXGLGNQVTSA-GOSISDBHSA-N 0 3 395.532 3.111 20 30 GGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1F ZINC000170673123 1425289899 /nfs/dbraw/zinc/28/98/99/1425289899.db2.gz KXCGMPJWBNVFCF-RDTXWAMCSA-N 0 3 395.434 3.369 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000170673192 1425290204 /nfs/dbraw/zinc/29/02/04/1425290204.db2.gz HIQICPIMBOTBRS-KRWDZBQOSA-N 0 3 399.516 3.059 20 30 GGEDHN Cc1oc(-c2ccsc2)nc1CC(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000170709652 1425311922 /nfs/dbraw/zinc/31/19/22/1425311922.db2.gz WBAQSZIWYCSYNH-MRXNPFEDSA-N 0 3 379.441 3.279 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 ZINC000170725205 1425319403 /nfs/dbraw/zinc/31/94/03/1425319403.db2.gz OAQZSLRAIBIMSU-UHFFFAOYSA-N 0 3 378.354 3.039 20 30 GGEDHN C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000171105385 1425484782 /nfs/dbraw/zinc/48/47/82/1425484782.db2.gz KYZZGRVATGGURR-UKRRQHHQSA-N 0 3 390.361 3.498 20 30 GGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)C1CCCC1 ZINC000171105694 1425486050 /nfs/dbraw/zinc/48/60/50/1425486050.db2.gz GBVKLQRJZYPNDK-SMDDNHRTSA-N 0 3 393.846 3.211 20 30 GGEDHN C=CCOc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(C)c2)c1 ZINC000171394637 1425659921 /nfs/dbraw/zinc/65/99/21/1425659921.db2.gz UUVMMSSUEBCXSO-UHFFFAOYSA-N 0 3 395.503 3.089 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccn2)s1 ZINC000171412026 1425668288 /nfs/dbraw/zinc/66/82/88/1425668288.db2.gz PQEWACOLIISRLM-UHFFFAOYSA-N 0 3 391.500 3.281 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCOC)Cc2ccc(F)cc2Cl)CC1 ZINC000171550130 1425730677 /nfs/dbraw/zinc/73/06/77/1425730677.db2.gz VXAXNTNMVDISCK-UHFFFAOYSA-N 0 3 383.895 3.288 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000171557325 1425733651 /nfs/dbraw/zinc/73/36/51/1425733651.db2.gz FEQGVYKGBUVHEF-INIZCTEOSA-N 0 3 386.496 3.044 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccccc3)cc2OCC(C)C)CC1 ZINC000171605886 1425756492 /nfs/dbraw/zinc/75/64/92/1425756492.db2.gz WGYXCEMFUAHJDR-UHFFFAOYSA-N 0 3 382.508 3.287 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1 ZINC000171677099 1425786548 /nfs/dbraw/zinc/78/65/48/1425786548.db2.gz JYXLLENGLVEEDL-QGZVFWFLSA-N 0 3 377.460 3.155 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000171711014 1425799477 /nfs/dbraw/zinc/79/94/77/1425799477.db2.gz GSKMABIJKGUAQK-HXUWFJFHSA-N 0 3 390.959 3.427 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(Oc3cccc(OC)c3)nc2)CC1 ZINC000171710062 1425799673 /nfs/dbraw/zinc/79/96/73/1425799673.db2.gz VQRTVEINIPXQHB-UHFFFAOYSA-N 0 3 396.491 3.332 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cc(Cl)c(OCC)c(OC)c2)CC1 ZINC000171719746 1425802692 /nfs/dbraw/zinc/80/26/92/1425802692.db2.gz DHCAISWOSDICJV-UHFFFAOYSA-N 0 3 381.904 3.197 20 30 GGEDHN C=CCN1CCC(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1 ZINC000171722296 1425803578 /nfs/dbraw/zinc/80/35/78/1425803578.db2.gz HGEDJZZPXBBCLB-UHFFFAOYSA-N 0 3 385.533 3.340 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nccn2-c2cc(C)ccc2C)CC1 ZINC000171724301 1425803961 /nfs/dbraw/zinc/80/39/61/1425803961.db2.gz JNBQKTYDISWCPR-UHFFFAOYSA-N 0 3 384.549 3.348 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nccn2-c2cccc(C)c2C)CC1 ZINC000171724294 1425804146 /nfs/dbraw/zinc/80/41/46/1425804146.db2.gz VJDDOBFYKQUFRO-UHFFFAOYSA-N 0 3 384.549 3.348 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nnc(-c3ccccc3C)n2CC)CC1 ZINC000171726660 1425804684 /nfs/dbraw/zinc/80/46/84/1425804684.db2.gz HLDKGLCILFMJKQ-UHFFFAOYSA-N 0 3 399.564 3.132 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CC1 ZINC000171734050 1425806160 /nfs/dbraw/zinc/80/61/60/1425806160.db2.gz JSLZZUSQBSDVIK-UHFFFAOYSA-N 0 3 387.524 3.466 20 30 GGEDHN C=CCN1CCC(NC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 ZINC000171734175 1425806218 /nfs/dbraw/zinc/80/62/18/1425806218.db2.gz PRDVJEUKVVFATI-UHFFFAOYSA-N 0 3 385.508 3.177 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)CSc2ccccc2OC)CC1 ZINC000171734328 1425806334 /nfs/dbraw/zinc/80/63/34/1425806334.db2.gz YFONGPDPDNFGFQ-MRXNPFEDSA-N 0 3 377.554 3.373 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@H](C)CSc2ccccc2OC)CC1 ZINC000171734321 1425806397 /nfs/dbraw/zinc/80/63/97/1425806397.db2.gz YFONGPDPDNFGFQ-INIZCTEOSA-N 0 3 377.554 3.373 20 30 GGEDHN C=CCN1CCC(NC(=O)NCC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000171736112 1425806944 /nfs/dbraw/zinc/80/69/44/1425806944.db2.gz XXYWPJSPVVTTQT-UHFFFAOYSA-N 0 3 391.943 3.338 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)CC1 ZINC000171738483 1425807612 /nfs/dbraw/zinc/80/76/12/1425807612.db2.gz UEVUHXYREDGMSY-UHFFFAOYSA-N 0 3 392.503 3.389 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)CC1 ZINC000171738645 1425807664 /nfs/dbraw/zinc/80/76/64/1425807664.db2.gz JIMGHGYPFZXMIQ-GOSISDBHSA-N 0 3 381.879 3.212 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000171738779 1425808175 /nfs/dbraw/zinc/80/81/75/1425808175.db2.gz LGBREYKQFXHMPM-UHFFFAOYSA-N 0 3 376.932 3.130 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000171738703 1425808208 /nfs/dbraw/zinc/80/82/08/1425808208.db2.gz XFENJMVTGNHFHT-GOSISDBHSA-N 0 3 394.560 3.068 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000171740893 1425808687 /nfs/dbraw/zinc/80/86/87/1425808687.db2.gz CTLXQBOCCUZZMR-UHFFFAOYSA-N 0 3 383.439 3.088 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2OC)C[C@H]2CCCO2)CC1 ZINC000171741654 1425808713 /nfs/dbraw/zinc/80/87/13/1425808713.db2.gz PRQQXACAWHKMDV-HXUWFJFHSA-N 0 3 387.524 3.036 20 30 GGEDHN N#CCOc1ccc(CNCc2cc(Br)c3c(c2)OCCO3)cc1 ZINC000171769120 1425815556 /nfs/dbraw/zinc/81/55/56/1425815556.db2.gz IYCHTEFHCPEVNI-UHFFFAOYSA-N 0 3 389.249 3.412 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)CC1 ZINC000171920080 1425852398 /nfs/dbraw/zinc/85/23/98/1425852398.db2.gz AHWXQIHCADWSLS-UHFFFAOYSA-N 0 3 393.553 3.172 20 30 GGEDHN C#CCCOc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000172114583 1425900885 /nfs/dbraw/zinc/90/08/85/1425900885.db2.gz OEJPGWPMKZEWDS-QGZVFWFLSA-N 0 3 386.517 3.190 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2cccc(OC)c2OC2CCCC2)CC1 ZINC000172264942 1425974565 /nfs/dbraw/zinc/97/45/65/1425974565.db2.gz WYQYJNABGVSKAN-UHFFFAOYSA-N 0 3 387.524 3.466 20 30 GGEDHN N#Cc1ccc(CC(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000172376140 1426018849 /nfs/dbraw/zinc/01/88/49/1426018849.db2.gz AXRBUIZTURBDDY-UHFFFAOYSA-N 0 3 397.906 3.414 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccoc2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000172545155 1426081638 /nfs/dbraw/zinc/08/16/38/1426081638.db2.gz PZFVBXZCLJTVJZ-CQSZACIVSA-N 0 3 384.779 3.263 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000173101910 1426342716 /nfs/dbraw/zinc/34/27/16/1426342716.db2.gz VNPUMKLWMKRWET-IBGZPJMESA-N 0 3 387.524 3.062 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198576 1426387874 /nfs/dbraw/zinc/38/78/74/1426387874.db2.gz IKLQBYJCOJRLDX-WMZOPIPTSA-N 0 3 394.560 3.020 20 30 GGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000173222643 1426405555 /nfs/dbraw/zinc/40/55/55/1426405555.db2.gz BJGJFKJKFXPBIJ-HXUWFJFHSA-N 0 3 383.517 3.091 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000173271137 1426449090 /nfs/dbraw/zinc/44/90/90/1426449090.db2.gz BMOVPTIEHJQWCY-UHFFFAOYSA-N 0 3 379.460 3.184 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000173271278 1426449342 /nfs/dbraw/zinc/44/93/42/1426449342.db2.gz LQKDBCJOTUTNSD-UHFFFAOYSA-N 0 3 389.805 3.064 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccccc2Oc2cccc(F)c2)CC1 ZINC000173273971 1426452301 /nfs/dbraw/zinc/45/23/01/1426452301.db2.gz YJVJNZQCPQZUGJ-UHFFFAOYSA-N 0 3 397.450 3.323 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)CC1 ZINC000173273901 1426452404 /nfs/dbraw/zinc/45/24/04/1426452404.db2.gz CVLYKQFRSDIGKM-UHFFFAOYSA-N 0 3 399.535 3.351 20 30 GGEDHN C[C@@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000173279773 1426455944 /nfs/dbraw/zinc/45/59/44/1426455944.db2.gz SGNKQTNMMLXRKS-KRWDZBQOSA-N 0 3 398.482 3.238 20 30 GGEDHN C[C@@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000173515343 1426686661 /nfs/dbraw/zinc/68/66/61/1426686661.db2.gz KWWVVNLNSQFMTL-LJQANCHMSA-N 0 3 377.488 3.254 20 30 GGEDHN C[C@H]1CCN(C(=O)Cc2ccc(OCC#N)cc2)CCN1Cc1ccccc1 ZINC000173515355 1426687476 /nfs/dbraw/zinc/68/74/76/1426687476.db2.gz KWWVVNLNSQFMTL-IBGZPJMESA-N 0 3 377.488 3.254 20 30 GGEDHN C=CCN1CCC(NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000173578797 1426744842 /nfs/dbraw/zinc/74/48/42/1426744842.db2.gz QVZFGCISPSFUTN-UHFFFAOYSA-N 0 3 390.837 3.322 20 30 GGEDHN Cc1cc2c(cc1C)O[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)C2 ZINC000173580565 1426745771 /nfs/dbraw/zinc/74/57/71/1426745771.db2.gz VISFTFIJPYPJAN-JOCHJYFZSA-N 0 3 377.488 3.069 20 30 GGEDHN N#Cc1ccc(CN(C(=O)CCN2CCN(c3ccccc3)CC2)C2CC2)cc1 ZINC000173867813 1426876313 /nfs/dbraw/zinc/87/63/13/1426876313.db2.gz WLLGGTVRXHIJDM-UHFFFAOYSA-N 0 3 388.515 3.262 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)CCc2ccccc2F)cc1 ZINC000173995344 1426932860 /nfs/dbraw/zinc/93/28/60/1426932860.db2.gz FSHLJGSFOCDWBR-UZLBHIALSA-N 0 3 396.462 3.471 20 30 GGEDHN CN(C(=O)NCc1ccc(OCC#N)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174235151 1427062860 /nfs/dbraw/zinc/06/28/60/1427062860.db2.gz RRBPKZXAUKRYGJ-OAQYLSRUSA-N 0 3 392.503 3.395 20 30 GGEDHN COc1ccc(CNC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000174304119 1427092981 /nfs/dbraw/zinc/09/29/81/1427092981.db2.gz MCWKYJAIEWBWOH-MRXNPFEDSA-N 0 3 380.366 3.115 20 30 GGEDHN COc1ccc(CNC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000174304876 1427093415 /nfs/dbraw/zinc/09/34/15/1427093415.db2.gz KFQDIWVWPBHUMV-MRXNPFEDSA-N 0 3 380.366 3.115 20 30 GGEDHN COc1ccc(CNC[C@H](O)COc2cccc(Cl)c2Cl)cc1C#N ZINC000174306764 1427094224 /nfs/dbraw/zinc/09/42/24/1427094224.db2.gz DDPOXJKFIXTNBY-AWEZNQCLSA-N 0 3 381.259 3.403 20 30 GGEDHN COc1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1O ZINC000174627253 1427273745 /nfs/dbraw/zinc/27/37/45/1427273745.db2.gz SQONANIXPQATDP-UHFFFAOYSA-N 0 3 385.489 3.283 20 30 GGEDHN C=CCN1CCC(NC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)CC1 ZINC000174777190 1427361252 /nfs/dbraw/zinc/36/12/52/1427361252.db2.gz CVCMAXRLNCTVOB-UHFFFAOYSA-N 0 3 382.549 3.020 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CC)Cc2cc(Br)ccc2O)CC1 ZINC000174777027 1427361665 /nfs/dbraw/zinc/36/16/65/1427361665.db2.gz BJEGMAJNOPZQBJ-UHFFFAOYSA-N 0 3 396.329 3.337 20 30 GGEDHN N#Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1Cl ZINC000175308570 1427666538 /nfs/dbraw/zinc/66/65/38/1427666538.db2.gz JKHIBMLYNPOLMO-UHFFFAOYSA-N 0 3 398.894 3.490 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)CC1 ZINC000175474329 1427774661 /nfs/dbraw/zinc/77/46/61/1427774661.db2.gz SHBMNEPXAZDDEL-NRFANRHFSA-N 0 3 398.551 3.021 20 30 GGEDHN C[C@H]1C[C@H](NS(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000175844955 1427926851 /nfs/dbraw/zinc/92/68/51/1427926851.db2.gz XNHGMRBZGNFDAT-LAUBAEHRSA-N 0 3 383.517 3.031 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000175971096 1428005338 /nfs/dbraw/zinc/00/53/38/1428005338.db2.gz NEXDTBDYYVTJDA-UHFFFAOYSA-N 0 3 378.476 3.145 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000176020065 1428031339 /nfs/dbraw/zinc/03/13/39/1428031339.db2.gz ITASPJLMFNGSPY-NQBHXWOUSA-N 0 3 380.803 3.106 20 30 GGEDHN CC(C)C1CCC(N2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000176027011 1428034250 /nfs/dbraw/zinc/03/42/50/1428034250.db2.gz NJJCSVRFNGDXPY-YDPRHXJPSA-N 0 3 394.563 3.496 20 30 GGEDHN Cc1cc(CCC(=O)C(C#N)C(=O)NC2CCCC2)ccc1Br ZINC000176099741 1428081722 /nfs/dbraw/zinc/08/17/22/1428081722.db2.gz WNLNLOZFZRRUET-HNNXBMFYSA-N 0 3 377.282 3.458 20 30 GGEDHN Cc1cc(CCC(=O)C(C#N)C(=O)NC2CCCC2)ccc1Br ZINC000176099725 1428081780 /nfs/dbraw/zinc/08/17/80/1428081780.db2.gz WNLNLOZFZRRUET-OAHLLOKOSA-N 0 3 377.282 3.458 20 30 GGEDHN CN1CCC(N(Cc2ccccc2)C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC000176109831 1428088376 /nfs/dbraw/zinc/08/83/76/1428088376.db2.gz JYJJLXWPEHLRFL-UHFFFAOYSA-N 0 3 392.503 3.395 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(COc3cccc(C(C)=O)c3)on2)CC1 ZINC000180174265 1429780967 /nfs/dbraw/zinc/78/09/67/1429780967.db2.gz STPKAPXSUBVSLB-UHFFFAOYSA-N 0 3 397.475 3.227 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 ZINC000180220959 1429806141 /nfs/dbraw/zinc/80/61/41/1429806141.db2.gz HXKAGDZZRHWDII-MRXNPFEDSA-N 0 3 384.430 3.210 20 30 GGEDHN C#CCN1CCC(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000180269220 1429820017 /nfs/dbraw/zinc/82/00/17/1429820017.db2.gz LYJNMFJGVMOHRN-UHFFFAOYSA-N 0 3 387.936 3.467 20 30 GGEDHN Cn1cc(CNc2ccc(N3CCN(C)CC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180310265 1429832973 /nfs/dbraw/zinc/83/29/73/1429832973.db2.gz IUHUJZQVZZPTQR-UHFFFAOYSA-N 0 3 386.503 3.323 20 30 GGEDHN CN(C)C(=O)CC1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000180334449 1429838515 /nfs/dbraw/zinc/83/85/15/1429838515.db2.gz UARYSKJCSNOOAS-UHFFFAOYSA-N 0 3 379.508 3.154 20 30 GGEDHN COc1ccc(CN2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654972 1429959016 /nfs/dbraw/zinc/95/90/16/1429959016.db2.gz ZHIGBSSURSGBOQ-GHTZIAJQSA-N 0 3 398.507 3.057 20 30 GGEDHN CC[C@@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180810955 1430053646 /nfs/dbraw/zinc/05/36/46/1430053646.db2.gz MCOXJXGSQLSVIH-KXBFYZLASA-N 0 3 392.463 3.203 20 30 GGEDHN CC[C@H](C#N)Oc1cc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)ccc1OC ZINC000180810972 1430053847 /nfs/dbraw/zinc/05/38/47/1430053847.db2.gz MCOXJXGSQLSVIH-HNAYVOBHSA-N 0 3 392.463 3.203 20 30 GGEDHN O=C(NCCN[C@H]1CCCOc2c(Cl)c(Cl)ccc21)C1N=CC=CC1=O ZINC000180880448 1430085284 /nfs/dbraw/zinc/08/52/84/1430085284.db2.gz RRDGUNLNISLABH-VDMFXUGISA-N 0 3 396.274 3.323 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000180894562 1430094411 /nfs/dbraw/zinc/09/44/11/1430094411.db2.gz UYGHEQPQRXFLKH-GOSISDBHSA-N 0 3 395.503 3.217 20 30 GGEDHN C#CCOc1ccc([C@@H](C)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000180921860 1430116291 /nfs/dbraw/zinc/11/62/91/1430116291.db2.gz DZJPIIKTIVODGK-VGOFRKELSA-N 0 3 378.472 3.159 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2cccc(F)c2F)cc1 ZINC000181012569 1430166203 /nfs/dbraw/zinc/16/62/03/1430166203.db2.gz KALBNISXDSSUGO-HNNXBMFYSA-N 0 3 386.354 3.032 20 30 GGEDHN C=C(Cl)COc1ccc([C@@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 ZINC000181186592 1430241836 /nfs/dbraw/zinc/24/18/36/1430241836.db2.gz PZBDFIYHGHIRSQ-CRAIPNDOSA-N 0 3 388.899 3.316 20 30 GGEDHN C=CCCC[C@H](C)NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000181410070 1430290799 /nfs/dbraw/zinc/29/07/99/1430290799.db2.gz LKOXOIBBTCMKLF-LEWJYISDSA-N 0 3 399.583 3.370 20 30 GGEDHN C[C@H](NCCC(=O)Nc1cccc(C#N)c1)c1cccc(N2CCCC2=O)c1 ZINC000181442020 1430300196 /nfs/dbraw/zinc/30/01/96/1430300196.db2.gz JETMMAKHSRNFGO-INIZCTEOSA-N 0 3 376.460 3.364 20 30 GGEDHN C[C@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181538719 1430317519 /nfs/dbraw/zinc/31/75/19/1430317519.db2.gz PDHSEIKHDZBEOQ-SFHVURJKSA-N 0 3 392.503 3.070 20 30 GGEDHN C[C@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181582827 1430323621 /nfs/dbraw/zinc/32/36/21/1430323621.db2.gz WPURDAYKLFXCQB-IBGZPJMESA-N 0 3 395.503 3.151 20 30 GGEDHN C[C@H](NCc1ccccc1OCCN1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181612562 1430327792 /nfs/dbraw/zinc/32/77/92/1430327792.db2.gz IFRKMRKJTCDELE-IBGZPJMESA-N 0 3 395.503 3.151 20 30 GGEDHN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638304 1430332723 /nfs/dbraw/zinc/33/27/23/1430332723.db2.gz RURGZSDXIHRWQG-GCJKJVERSA-N 0 3 377.488 3.473 20 30 GGEDHN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638326 1430332767 /nfs/dbraw/zinc/33/27/67/1430332767.db2.gz RURGZSDXIHRWQG-PGRDOPGGSA-N 0 3 377.488 3.473 20 30 GGEDHN CC(C)(COc1ncccc1C(F)(F)F)NCC(=O)Nc1ccc(C#N)cc1 ZINC000181656389 1430335900 /nfs/dbraw/zinc/33/59/00/1430335900.db2.gz KRYFXDVDDCORDN-UHFFFAOYSA-N 0 3 392.381 3.358 20 30 GGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cccc3ccccc32)CC1 ZINC000181661774 1430337217 /nfs/dbraw/zinc/33/72/17/1430337217.db2.gz IKZFBLWPFZDAAB-XMSQKQJNSA-N 0 3 378.520 3.183 20 30 GGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cccc3ccccc32)CC1 ZINC000181661789 1430337261 /nfs/dbraw/zinc/33/72/61/1430337261.db2.gz IKZFBLWPFZDAAB-GCJKJVERSA-N 0 3 378.520 3.183 20 30 GGEDHN CC(C)(C)C(=O)N1CCC(CN2CCN([C@@H](C#N)c3ccccc3)CC2)CC1 ZINC000181762506 1430354409 /nfs/dbraw/zinc/35/44/09/1430354409.db2.gz CDPOCZCRQWOFQZ-NRFANRHFSA-N 0 3 382.552 3.154 20 30 GGEDHN COc1ccc(CN2CC[C@H](N[C@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968325 1430389691 /nfs/dbraw/zinc/38/96/91/1430389691.db2.gz JUVDEVONMSUURW-IERDGZPVSA-N 0 3 379.460 3.049 20 30 GGEDHN C=CCSc1ccccc1NC(=O)CN[C@@H](CC(N)=O)C1CCCCC1 ZINC000182043852 1430401002 /nfs/dbraw/zinc/40/10/02/1430401002.db2.gz KVWMYERBAWHZNO-KRWDZBQOSA-N 0 3 375.538 3.317 20 30 GGEDHN CC[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308293 1430446045 /nfs/dbraw/zinc/44/60/45/1430446045.db2.gz CSSZKMITPJXPKU-MOPGFXCFSA-N 0 3 376.932 3.073 20 30 GGEDHN CC[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(Cl)c1 ZINC000182594494 1430499382 /nfs/dbraw/zinc/49/93/82/1430499382.db2.gz QFGWGEUYRSSZQA-MOPGFXCFSA-N 0 3 376.932 3.073 20 30 GGEDHN N#Cc1ccc(N2CCC[C@@H](N3CCN(CC4CCCCC4)CC3)C2=O)cc1 ZINC000182697627 1430520460 /nfs/dbraw/zinc/52/04/60/1430520460.db2.gz BMPHSEZWYCAROW-JOCHJYFZSA-N 0 3 380.536 3.252 20 30 GGEDHN CS(=O)(=O)Nc1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000182771823 1430537256 /nfs/dbraw/zinc/53/72/56/1430537256.db2.gz BARIMKDMNFVQIX-UHFFFAOYSA-N 0 3 384.505 3.006 20 30 GGEDHN Cc1c([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005424 1430590387 /nfs/dbraw/zinc/59/03/87/1430590387.db2.gz AXPNVHWICCZTFB-FOIQADDNSA-N 0 3 394.450 3.282 20 30 GGEDHN Cc1c([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cnn1-c1ccc(F)cc1 ZINC000183005409 1430590642 /nfs/dbraw/zinc/59/06/42/1430590642.db2.gz AXPNVHWICCZTFB-YWZLYKJASA-N 0 3 394.450 3.282 20 30 GGEDHN Cc1cccc(CCCON=C(N)c2ccccc2CN2CCC(O)CC2)c1 ZINC000183168095 1430636623 /nfs/dbraw/zinc/63/66/23/1430636623.db2.gz OVIJSPOZPQPUDV-UHFFFAOYSA-N 0 3 381.520 3.221 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183950832 1430817416 /nfs/dbraw/zinc/81/74/16/1430817416.db2.gz KIZRTNORCXZIEO-JOCHJYFZSA-N 0 3 379.504 3.337 20 30 GGEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000184324034 1430873244 /nfs/dbraw/zinc/87/32/44/1430873244.db2.gz NOXDEKDITAALFN-SJORKVTESA-N 0 3 389.569 3.228 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)CC1 ZINC000184398194 1430882865 /nfs/dbraw/zinc/88/28/65/1430882865.db2.gz ZHPYQRASGPJPDG-UHFFFAOYSA-N 0 3 382.512 3.337 20 30 GGEDHN CSCC[C@@H](NCCCOc1cccc(C#N)c1)c1nnc2ccccn21 ZINC000184607667 1430917784 /nfs/dbraw/zinc/91/77/84/1430917784.db2.gz NOACNGQVVBHQRS-GOSISDBHSA-N 0 3 381.505 3.454 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000184614031 1430919620 /nfs/dbraw/zinc/91/96/20/1430919620.db2.gz AZJCVCGNRVJUTI-LJQANCHMSA-N 0 3 382.464 3.008 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)N(CCC#N)Cc3ccccn3)c2)CC1 ZINC000184921646 1431021792 /nfs/dbraw/zinc/02/17/92/1431021792.db2.gz SAUZIOCXXCURIH-UHFFFAOYSA-N 0 3 392.507 3.171 20 30 GGEDHN CCCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)Cc1ccc(C#N)cc1 ZINC000184946399 1431027805 /nfs/dbraw/zinc/02/78/05/1431027805.db2.gz QKZMCRIFNDJDCF-QFIPXVFZSA-N 0 3 378.520 3.189 20 30 GGEDHN CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000184953273 1431029385 /nfs/dbraw/zinc/02/93/85/1431029385.db2.gz AENILTILUSSHBV-PGRDOPGGSA-N 0 3 378.520 3.360 20 30 GGEDHN N#Cc1cc(Cl)ccc1CON=C(N)c1ccccc1CN1CCC(O)CC1 ZINC000185367479 1431127419 /nfs/dbraw/zinc/12/74/19/1431127419.db2.gz LCIQLZDMFXUBSW-UHFFFAOYSA-N 0 3 398.894 3.005 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000185506257 1431160444 /nfs/dbraw/zinc/16/04/44/1431160444.db2.gz CKUBRSKNFCUFQY-OAQYLSRUSA-N 0 3 397.515 3.147 20 30 GGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000185640274 1431192230 /nfs/dbraw/zinc/19/22/30/1431192230.db2.gz MVDSIYPFYXZGSB-MLGOLLRUSA-N 0 3 396.413 3.024 20 30 GGEDHN C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccc(F)c(F)c1 ZINC000185779490 1431233614 /nfs/dbraw/zinc/23/36/14/1431233614.db2.gz BOMADIBOMGDZGS-IBGZPJMESA-N 0 3 387.430 3.399 20 30 GGEDHN C=C(C)[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(F)c(F)c1 ZINC000185829247 1431245574 /nfs/dbraw/zinc/24/55/74/1431245574.db2.gz DQMUFRASZWPDAO-LPHOPBHVSA-N 0 3 381.467 3.334 20 30 GGEDHN C=C(C)[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000185843615 1431249213 /nfs/dbraw/zinc/24/92/13/1431249213.db2.gz KJQLJHYDLKVFGY-FQEVSTJZSA-N 0 3 393.478 3.336 20 30 GGEDHN CCOC(=O)c1ccc(N2CCCN(Cc3ccc(C#N)cc3C)CC2)nc1 ZINC000186279880 1431370307 /nfs/dbraw/zinc/37/03/07/1431370307.db2.gz HUJFNQFRZFGNMW-UHFFFAOYSA-N 0 3 378.476 3.151 20 30 GGEDHN C[C@@H](NC(=O)CCCC(=O)Nc1ccccc1C#N)[C@H](c1ccccc1)N(C)C ZINC000186478725 1431430806 /nfs/dbraw/zinc/43/08/06/1431430806.db2.gz UMIPYVUUZDVVSS-UZUQRXQVSA-N 0 3 392.503 3.475 20 30 GGEDHN COc1ccc(CN2CCSC3(CCOCC3)C2)cc1OCCCC#N ZINC000186497743 1431437167 /nfs/dbraw/zinc/43/71/67/1431437167.db2.gz WKGCAGNLFYLDKH-UHFFFAOYSA-N 0 3 376.522 3.476 20 30 GGEDHN C=CCC[C@@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000186498871 1431438018 /nfs/dbraw/zinc/43/80/18/1431438018.db2.gz LUHDXZWTKKFHEA-DHIUTWEWSA-N 0 3 378.516 3.272 20 30 GGEDHN Cc1csc([C@@H](C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000186798818 1431519315 /nfs/dbraw/zinc/51/93/15/1431519315.db2.gz JLNCXUYXCAFAJZ-HNNXBMFYSA-N 0 3 385.537 3.200 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1OCC#N ZINC000187236968 1431660405 /nfs/dbraw/zinc/66/04/05/1431660405.db2.gz VNWPDWJPTSUWEW-HDHMNOCFSA-N 0 3 393.487 3.418 20 30 GGEDHN C=CCOc1cccc(CNCc2ccc(N3CCCS3(=O)=O)c(F)c2)c1 ZINC000187559370 1431766764 /nfs/dbraw/zinc/76/67/64/1431766764.db2.gz IFKWYRCMZUOKDO-UHFFFAOYSA-N 0 3 390.480 3.220 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000188042359 1431839085 /nfs/dbraw/zinc/83/90/85/1431839085.db2.gz YHONAWQDEZVYAC-INIZCTEOSA-N 0 3 396.457 3.234 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCN(c3ccccc3C(F)(F)F)C2)CC1 ZINC000188042331 1431839175 /nfs/dbraw/zinc/83/91/75/1431839175.db2.gz YHONAWQDEZVYAC-MRXNPFEDSA-N 0 3 396.457 3.234 20 30 GGEDHN C#CCOc1ccccc1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000188066185 1431841642 /nfs/dbraw/zinc/84/16/42/1431841642.db2.gz LPOKKNMRMRXDQC-QZTJIDSGSA-N 0 3 385.508 3.052 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(F)c3C#N)CC2)c1 ZINC000188212285 1431861103 /nfs/dbraw/zinc/86/11/03/1431861103.db2.gz OASIAIRBMFYMJC-UHFFFAOYSA-N 0 3 394.494 3.338 20 30 GGEDHN CN(C(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1)[C@@H]1CCCN(C)C1 ZINC000188244088 1431865138 /nfs/dbraw/zinc/86/51/38/1431865138.db2.gz YBSQACSIKXXMJE-QGZVFWFLSA-N 0 3 394.450 3.116 20 30 GGEDHN CN(C(=O)c1ccc(NC(=O)c2cccc(F)c2C#N)cc1)[C@H]1CCCN(C)C1 ZINC000188244056 1431865151 /nfs/dbraw/zinc/86/51/51/1431865151.db2.gz YBSQACSIKXXMJE-KRWDZBQOSA-N 0 3 394.450 3.116 20 30 GGEDHN CCN(CCCN1CCCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000188263373 1431866863 /nfs/dbraw/zinc/86/68/63/1431866863.db2.gz HVEHLATVZBBKAK-UHFFFAOYSA-N 0 3 389.443 3.074 20 30 GGEDHN N#Cc1c(F)cccc1C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000188429222 1431883576 /nfs/dbraw/zinc/88/35/76/1431883576.db2.gz BWCDCWGROBBHQV-UHFFFAOYSA-N 0 3 380.467 3.030 20 30 GGEDHN N#CCCCOc1cccnc1NC(=O)NCCCN1CCc2ccccc2C1 ZINC000188692796 1431935577 /nfs/dbraw/zinc/93/55/77/1431935577.db2.gz KIAFKGHWHCTZHA-UHFFFAOYSA-N 0 3 393.491 3.334 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ncccc1OCCCC#N ZINC000188710170 1431941575 /nfs/dbraw/zinc/94/15/75/1431941575.db2.gz HAODIHILVGSCPX-UHFFFAOYSA-N 0 3 399.470 3.499 20 30 GGEDHN C[C@H](CNC(=O)Nc1ncccc1OCCCC#N)N(C)Cc1ccccc1 ZINC000188720868 1431945325 /nfs/dbraw/zinc/94/53/25/1431945325.db2.gz DPLGMXFTTBDNPK-QGZVFWFLSA-N 0 3 381.480 3.406 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000188730823 1431948384 /nfs/dbraw/zinc/94/83/84/1431948384.db2.gz BYMXVTOKEYUDGG-MJGOQNOKSA-N 0 3 393.491 3.406 20 30 GGEDHN C=C[C@@](C)(CCOC)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000189029023 1432029746 /nfs/dbraw/zinc/02/97/46/1432029746.db2.gz AEHSIZXJFMRZDL-UGKGYDQZSA-N 0 3 387.524 3.020 20 30 GGEDHN COc1ccc(CNCCN2CCc3ccccc3C2=O)cc1OCCCC#N ZINC000189043428 1432033586 /nfs/dbraw/zinc/03/35/86/1432033586.db2.gz XCGUIWIWAZXRGH-UHFFFAOYSA-N 0 3 393.487 3.166 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000189394846 1432098265 /nfs/dbraw/zinc/09/82/65/1432098265.db2.gz BKJPZWAARLNUKZ-IBGZPJMESA-N 0 3 385.508 3.057 20 30 GGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613691 1432420590 /nfs/dbraw/zinc/42/05/90/1432420590.db2.gz UMJBVIJIUKDVSZ-VGOFRKELSA-N 0 3 385.471 3.196 20 30 GGEDHN C[C@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613709 1432420762 /nfs/dbraw/zinc/42/07/62/1432420762.db2.gz UMJBVIJIUKDVSZ-JTSKRJEESA-N 0 3 385.471 3.196 20 30 GGEDHN C=CCC1(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCC1 ZINC000190801669 1432485852 /nfs/dbraw/zinc/48/58/52/1432485852.db2.gz ZEAMJPGEWUIMJL-HXUWFJFHSA-N 0 3 382.552 3.189 20 30 GGEDHN N#CCc1ccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000190844314 1432504435 /nfs/dbraw/zinc/50/44/35/1432504435.db2.gz BHWTXVIVXVTFPG-OAQYLSRUSA-N 0 3 378.476 3.165 20 30 GGEDHN N#CC(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)c1cnc2ccccc2n1 ZINC000190993695 1432545486 /nfs/dbraw/zinc/54/54/86/1432545486.db2.gz JAMTZSNAECRLPW-CYBMUJFWSA-N 0 3 391.818 3.303 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000191253689 1432607110 /nfs/dbraw/zinc/60/71/10/1432607110.db2.gz FXSALLFJYPXFSQ-DYESRHJHSA-N 0 3 395.503 3.388 20 30 GGEDHN N#Cc1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)ccc1F ZINC000191887996 1432747497 /nfs/dbraw/zinc/74/74/97/1432747497.db2.gz IESVGKRHLGGQFS-IBGZPJMESA-N 0 3 382.439 3.110 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191918066 1432755439 /nfs/dbraw/zinc/75/54/39/1432755439.db2.gz SIXMGETZHAWLSC-HXUWFJFHSA-N 0 3 378.476 3.279 20 30 GGEDHN COc1cccc(CN(CCN(C)C)C(=O)CSc2ccc(C#N)cc2)c1 ZINC000191953159 1432765586 /nfs/dbraw/zinc/76/55/86/1432765586.db2.gz DFEGMLCYABTYHR-UHFFFAOYSA-N 0 3 383.517 3.249 20 30 GGEDHN C[C@H](N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000192051063 1432787659 /nfs/dbraw/zinc/78/76/59/1432787659.db2.gz IOELCSHAKOKMCV-JCGIZDLHSA-N 0 3 375.900 3.491 20 30 GGEDHN C=CCOc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000192221681 1432818927 /nfs/dbraw/zinc/81/89/27/1432818927.db2.gz MKKBYCZFUQITPD-QFIPXVFZSA-N 0 3 380.488 3.272 20 30 GGEDHN C#CCOc1ccc(F)cc1NC(=O)N(CCN(C)C)Cc1cccc(OC)c1 ZINC000192276876 1432826241 /nfs/dbraw/zinc/82/62/41/1432826241.db2.gz QITJYQKVTHZHQE-UHFFFAOYSA-N 0 3 399.466 3.442 20 30 GGEDHN CSc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000192490838 1432850604 /nfs/dbraw/zinc/85/06/04/1432850604.db2.gz VPULHBXXFABBTK-UHFFFAOYSA-N 0 3 398.488 3.392 20 30 GGEDHN N#Cc1ccc(N2CCC[C@H](NC3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000192667931 1432873264 /nfs/dbraw/zinc/87/32/64/1432873264.db2.gz VYZVKMXMMPZAJU-NRFANRHFSA-N 0 3 393.462 3.488 20 30 GGEDHN CCC(CC)(CN[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000192699989 1432876929 /nfs/dbraw/zinc/87/69/29/1432876929.db2.gz JZCTXAJHKWDVDM-LBPRGKRZSA-N 0 3 377.510 3.004 20 30 GGEDHN C[C@@H](O)CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000192813689 1432893861 /nfs/dbraw/zinc/89/38/61/1432893861.db2.gz FRHAKYGQNYPOFH-NHCUHLMSSA-N 0 3 377.532 3.273 20 30 GGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192980370 1432916229 /nfs/dbraw/zinc/91/62/29/1432916229.db2.gz UXMNUDWYAKPMAP-KRWDZBQOSA-N 0 3 389.908 3.012 20 30 GGEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192980183 1432916251 /nfs/dbraw/zinc/91/62/51/1432916251.db2.gz UGZIGGNXYGLFGX-MRXNPFEDSA-N 0 3 389.908 3.012 20 30 GGEDHN N#Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192980198 1432916273 /nfs/dbraw/zinc/91/62/73/1432916273.db2.gz UGZIGGNXYGLFGX-INIZCTEOSA-N 0 3 389.908 3.012 20 30 GGEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192984227 1432917238 /nfs/dbraw/zinc/91/72/38/1432917238.db2.gz MXMVYDIWBQQPMJ-INIZCTEOSA-N 0 3 389.908 3.012 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000192985243 1432917571 /nfs/dbraw/zinc/91/75/71/1432917571.db2.gz NJWPLWBXLOEQIC-QGZVFWFLSA-N 0 3 389.908 3.012 20 30 GGEDHN Cc1ccc(-c2cc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)[nH]n2)o1 ZINC000193233151 1432964194 /nfs/dbraw/zinc/96/41/94/1432964194.db2.gz UBYYIVZPCGVQSN-UHFFFAOYSA-N 0 3 377.448 3.054 20 30 GGEDHN COc1ccc(C)cc1N1C[C@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000193281175 1432973757 /nfs/dbraw/zinc/97/37/57/1432973757.db2.gz GSHHTLWZYAEMGP-HUUCEWRRSA-N 0 3 389.411 3.374 20 30 GGEDHN N#CC(C(=O)CCCNC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000193395102 1432990356 /nfs/dbraw/zinc/99/03/56/1432990356.db2.gz AZHJRVRQNAJPFI-KRWDZBQOSA-N 0 3 383.835 3.198 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccco2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000193401309 1432991561 /nfs/dbraw/zinc/99/15/61/1432991561.db2.gz PNJOEZXLEYTNIJ-CYBMUJFWSA-N 0 3 384.779 3.263 20 30 GGEDHN Cc1ccc(-n2cc(C(=O)C(C#N)C(=O)Nc3ccc(Cl)cc3)nn2)cc1 ZINC000193403201 1432991791 /nfs/dbraw/zinc/99/17/91/1432991791.db2.gz RYUIGEAQTJTEIJ-MRXNPFEDSA-N 0 3 379.807 3.190 20 30 GGEDHN Cc1c(Cl)cccc1NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193573374 1433022023 /nfs/dbraw/zinc/02/20/23/1433022023.db2.gz PJPALLAZWRGEEJ-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000193626539 1433030768 /nfs/dbraw/zinc/03/07/68/1433030768.db2.gz PMCKGXVPASAZPB-SFHVURJKSA-N 0 3 394.560 3.020 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2cccc3ccccc32)cc1 ZINC000193753294 1433052512 /nfs/dbraw/zinc/05/25/12/1433052512.db2.gz IBGGKMZFDZXLBP-HXUWFJFHSA-N 0 3 388.423 3.252 20 30 GGEDHN N#CC(C(=O)c1ccc(-n2cnnn2)cc1)c1nc2cc(Cl)ccc2s1 ZINC000193773995 1433056748 /nfs/dbraw/zinc/05/67/48/1433056748.db2.gz NBAHCIXRCHYOHH-CYBMUJFWSA-N 0 3 380.820 3.415 20 30 GGEDHN CN(C)[C@@H](CNC(=O)CSc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000194379028 1433169071 /nfs/dbraw/zinc/16/90/71/1433169071.db2.gz NIGMQBGPORMEBE-FQEVSTJZSA-N 0 3 394.544 3.343 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cc(Br)cs2)c1 ZINC000194588355 1433202147 /nfs/dbraw/zinc/20/21/47/1433202147.db2.gz QWPCNEPNLHDOCR-LBPRGKRZSA-N 0 3 379.235 3.480 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000194666808 1433212802 /nfs/dbraw/zinc/21/28/02/1433212802.db2.gz RAJRLDFKEONSCE-UHFFFAOYSA-N 0 3 392.503 3.103 20 30 GGEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000194989069 1433277704 /nfs/dbraw/zinc/27/77/04/1433277704.db2.gz QBZYMZTVPQSHSO-NRFANRHFSA-N 0 3 376.456 3.052 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nccs3)C2)c(OC)c1 ZINC000195358162 1433322486 /nfs/dbraw/zinc/32/24/86/1433322486.db2.gz JPCIGHQYFJXYEI-ROUUACIJSA-N 0 3 388.533 3.500 20 30 GGEDHN N#CCOc1ccccc1C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000195379958 1433324074 /nfs/dbraw/zinc/32/40/74/1433324074.db2.gz YFPXHHJKABOTEW-UHFFFAOYSA-N 0 3 381.501 3.433 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000195465099 1433332970 /nfs/dbraw/zinc/33/29/70/1433332970.db2.gz NZKDSAWUEHKLBW-NQIIRXRSSA-N 0 3 388.552 3.028 20 30 GGEDHN N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)CC1 ZINC000195731839 1433346028 /nfs/dbraw/zinc/34/60/28/1433346028.db2.gz NGCHWOORMULNPI-GOTSBHOMSA-N 0 3 388.515 3.060 20 30 GGEDHN N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCN2Cc2ccccc2)CC1 ZINC000195731842 1433346159 /nfs/dbraw/zinc/34/61/59/1433346159.db2.gz NGCHWOORMULNPI-DHIUTWEWSA-N 0 3 388.515 3.060 20 30 GGEDHN CCN1C[C@H](CN(C)CCC(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000198392237 1433349749 /nfs/dbraw/zinc/34/97/49/1433349749.db2.gz ANOSMWYNOOCSMK-SFHVURJKSA-N 0 3 378.476 3.106 20 30 GGEDHN CNS(=O)(=O)c1ccc([C@H](C)NCc2cccc(OCCCC#N)c2)cc1 ZINC000237371051 1433399359 /nfs/dbraw/zinc/39/93/59/1433399359.db2.gz ZZGLANVBJMDWCU-INIZCTEOSA-N 0 3 387.505 3.128 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000237582855 1433410573 /nfs/dbraw/zinc/41/05/73/1433410573.db2.gz QXVZMVDDJRHOBE-HZPDHXFCSA-N 0 3 387.505 3.079 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000237602408 1433412339 /nfs/dbraw/zinc/41/23/39/1433412339.db2.gz HTASSUPSGOYOSE-SJORKVTESA-N 0 3 393.487 3.486 20 30 GGEDHN C[C@H](C#N)Oc1ccc(CNCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1 ZINC000237638647 1433414008 /nfs/dbraw/zinc/41/40/08/1433414008.db2.gz DUXQSULJSSYNBT-MOPGFXCFSA-N 0 3 379.504 3.488 20 30 GGEDHN C#CCOc1ccccc1CNC[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000237950387 1433436728 /nfs/dbraw/zinc/43/67/28/1433436728.db2.gz BYOPQNRWMCNAFQ-QGZVFWFLSA-N 0 3 379.378 3.247 20 30 GGEDHN C#CCOc1ccccc1CNC[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000237950482 1433436778 /nfs/dbraw/zinc/43/67/78/1433436778.db2.gz CGSPVPJISOGBRM-QGZVFWFLSA-N 0 3 379.378 3.247 20 30 GGEDHN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000245448592 1433469674 /nfs/dbraw/zinc/46/96/74/1433469674.db2.gz MZPPXYARLVFXKH-RBUKOAKNSA-N 0 3 376.504 3.482 20 30 GGEDHN CCc1nccn1[C@@H]1CCCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245514422 1433479942 /nfs/dbraw/zinc/47/99/42/1433479942.db2.gz BVDRCODPBPMAFL-UXHICEINSA-N 0 3 377.492 3.150 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245742997 1433509852 /nfs/dbraw/zinc/50/98/52/1433509852.db2.gz MESJCGUKBCIKJA-RTBURBONSA-N 0 3 382.508 3.030 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000245776272 1433515625 /nfs/dbraw/zinc/51/56/25/1433515625.db2.gz UAXFFGJEXXUUCB-SJLPKXTDSA-N 0 3 392.507 3.197 20 30 GGEDHN C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000245776272 1433515632 /nfs/dbraw/zinc/51/56/32/1433515632.db2.gz UAXFFGJEXXUUCB-SJLPKXTDSA-N 0 3 392.507 3.197 20 30 GGEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]2c2ccccc2)CC1 ZINC000245852121 1433526779 /nfs/dbraw/zinc/52/67/79/1433526779.db2.gz GMEPGBPNEZLXHP-VQTJNVASSA-N 0 3 394.544 3.294 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000245917212 1433541704 /nfs/dbraw/zinc/54/17/04/1433541704.db2.gz LHLJCXWCYJODHG-RRFJBIMHSA-N 0 3 383.275 3.349 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000245952746 1433550100 /nfs/dbraw/zinc/55/01/00/1433550100.db2.gz BKIQORNNSKDKHU-FHWLQOOXSA-N 0 3 377.271 3.489 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000246095139 1433567917 /nfs/dbraw/zinc/56/79/17/1433567917.db2.gz HONIXJBPCCLYKD-IFMALSPDSA-N 0 3 392.455 3.127 20 30 GGEDHN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000247446385 1433724128 /nfs/dbraw/zinc/72/41/28/1433724128.db2.gz YFHWUKGEWFCNMJ-CABCVRRESA-N 0 3 385.899 3.227 20 30 GGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000249723524 1433849830 /nfs/dbraw/zinc/84/98/30/1433849830.db2.gz DZZQUZDKYXOIHQ-XHSDSOJGSA-N 0 3 375.266 3.320 20 30 GGEDHN C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000249819502 1433852625 /nfs/dbraw/zinc/85/26/25/1433852625.db2.gz FGJUOTHAHVCOJS-IACUBPJLSA-N 0 3 382.819 3.101 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000250200356 1433855016 /nfs/dbraw/zinc/85/50/16/1433855016.db2.gz CFDJIOOVMDFEIH-VWNXMTODSA-N 0 3 394.515 3.462 20 30 GGEDHN CC[C@@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1C[C@H](C)O ZINC000252466330 1433863305 /nfs/dbraw/zinc/86/33/05/1433863305.db2.gz YFZTXUYGIRPKEJ-GXTWGEPZSA-N 0 3 376.863 3.180 20 30 GGEDHN CC[C@H]1CN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CCN1C[C@H](C)O ZINC000252466331 1433863347 /nfs/dbraw/zinc/86/33/47/1433863347.db2.gz YFZTXUYGIRPKEJ-JSGCOSHPSA-N 0 3 376.863 3.180 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000253542690 1433868514 /nfs/dbraw/zinc/86/85/14/1433868514.db2.gz JBZHPGQAJBFCPO-APWZRJJASA-N 0 3 398.551 3.321 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000253542690 1433868515 /nfs/dbraw/zinc/86/85/15/1433868515.db2.gz JBZHPGQAJBFCPO-APWZRJJASA-N 0 3 398.551 3.321 20 30 GGEDHN O=C(CON=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000255337529 1433880818 /nfs/dbraw/zinc/88/08/18/1433880818.db2.gz ZUFFYSHVNIQILI-PZJWPPBQSA-N 0 3 385.508 3.055 20 30 GGEDHN C[C@H](NC(=[NH2+])NCc1nnc(C(F)(F)F)[n-]1)c1ccc(Cl)cc1Cl ZINC000262545702 1433942905 /nfs/dbraw/zinc/94/29/05/1433942905.db2.gz RXLGMGPKFNCFRQ-LURJTMIESA-N 0 3 381.189 3.296 20 30 GGEDHN C[C@H](NC(=[NH2+])NCc1nc(C(F)(F)F)n[n-]1)c1ccc(Cl)cc1Cl ZINC000262545702 1433942907 /nfs/dbraw/zinc/94/29/07/1433942907.db2.gz RXLGMGPKFNCFRQ-LURJTMIESA-N 0 3 381.189 3.296 20 30 GGEDHN N#Cc1cnc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000263770925 1434031606 /nfs/dbraw/zinc/03/16/06/1434031606.db2.gz JXYCAMPVLUGVJU-KRWDZBQOSA-N 0 3 396.926 3.040 20 30 GGEDHN C[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797778 1434035302 /nfs/dbraw/zinc/03/53/02/1434035302.db2.gz ZUDPUZJMYAHLOC-FGTMMUONSA-N 0 3 384.524 3.150 20 30 GGEDHN COCCN1CCC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000264113549 1434072857 /nfs/dbraw/zinc/07/28/57/1434072857.db2.gz JCEFMVCRVBTPMF-UHFFFAOYSA-N 0 3 379.460 3.191 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000264360680 1434102196 /nfs/dbraw/zinc/10/21/96/1434102196.db2.gz OOGVFPSRKJUCHQ-ROUUACIJSA-N 0 3 386.540 3.068 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000264367651 1434103373 /nfs/dbraw/zinc/10/33/73/1434103373.db2.gz IDTCKENJAHYZRR-KRWDZBQOSA-N 0 3 382.512 3.010 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000264425229 1434110868 /nfs/dbraw/zinc/11/08/68/1434110868.db2.gz YEMJKUVDKAGTOJ-HNNXBMFYSA-N 0 3 391.512 3.113 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)CC1 ZINC000264542888 1434125855 /nfs/dbraw/zinc/12/58/55/1434125855.db2.gz UNKSDWYTLNRQID-UHFFFAOYSA-N 0 3 387.911 3.250 20 30 GGEDHN N#Cc1c(NC(=O)CCN2CCN(C3CCC3)CC2)sc2c1CCCCC2 ZINC000264997022 1434172647 /nfs/dbraw/zinc/17/26/47/1434172647.db2.gz OJKWMIRNMVTDAP-UHFFFAOYSA-N 0 3 386.565 3.387 20 30 GGEDHN Cc1ccc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c(CN(C)C)c1 ZINC000265016833 1434174896 /nfs/dbraw/zinc/17/48/96/1434174896.db2.gz GNPRAAIVVYGDCM-UHFFFAOYSA-N 0 3 390.491 3.159 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000265221485 1434201874 /nfs/dbraw/zinc/20/18/74/1434201874.db2.gz BODSDVKYDICAFR-UHFFFAOYSA-N 0 3 386.525 3.303 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2CC[C@H](c3ccc(C)o3)N2C(=O)OCC)CC1 ZINC000265643992 1434252869 /nfs/dbraw/zinc/25/28/69/1434252869.db2.gz SMWQMFWOIXJIER-QZTJIDSGSA-N 0 3 389.496 3.017 20 30 GGEDHN COc1ccc([C@H](CNc2c(C#N)nnc3ccccc32)N(C)C)cc1OC ZINC000265866945 1434275186 /nfs/dbraw/zinc/27/51/86/1434275186.db2.gz HXRLXEYBRGPSLX-SFHVURJKSA-N 0 3 377.448 3.233 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000265951750 1434287957 /nfs/dbraw/zinc/28/79/57/1434287957.db2.gz NQZPIGJHJHUPOV-JOCHJYFZSA-N 0 3 394.519 3.145 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000266860169 1434382676 /nfs/dbraw/zinc/38/26/76/1434382676.db2.gz YXNSSMKOYPTMPL-HXUWFJFHSA-N 0 3 378.476 3.025 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000267566013 1434446262 /nfs/dbraw/zinc/44/62/62/1434446262.db2.gz BZBMKCCVBQOTSR-OAQYLSRUSA-N 0 3 392.503 3.162 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000268066588 1434492428 /nfs/dbraw/zinc/49/24/28/1434492428.db2.gz VHDKIQHRAASFFE-IEBWSBKVSA-N 0 3 381.467 3.117 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@@H](O)c2c(F)cccc2F)CC1 ZINC000268066590 1434492548 /nfs/dbraw/zinc/49/25/48/1434492548.db2.gz VHDKIQHRAASFFE-PKOBYXMFSA-N 0 3 381.467 3.117 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC)[C@H](O)c2c(F)cccc2F)CC1 ZINC000268066587 1434492578 /nfs/dbraw/zinc/49/25/78/1434492578.db2.gz VHDKIQHRAASFFE-HKUYNNGSSA-N 0 3 381.467 3.117 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000268661413 1434545128 /nfs/dbraw/zinc/54/51/28/1434545128.db2.gz RJAWJAFKBLEFAT-AWEZNQCLSA-N 0 3 387.459 3.195 20 30 GGEDHN C=C(C)[C@@H](CC(=O)NC1CCN(CCOc2ccc(F)cc2)CC1)OCC ZINC000270017259 1434693580 /nfs/dbraw/zinc/69/35/80/1434693580.db2.gz CPZYUIYRCWQWQK-HXUWFJFHSA-N 0 3 378.488 3.156 20 30 GGEDHN N#Cc1cccc(NC(=O)C2CCN(Cc3c[nH]nc3-c3cccnc3)CC2)c1 ZINC000271142992 1434804573 /nfs/dbraw/zinc/80/45/73/1434804573.db2.gz BJROGKMYQMHLHQ-UHFFFAOYSA-N 0 3 386.459 3.194 20 30 GGEDHN CCc1nn(C)c(CC)c1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271160388 1434805360 /nfs/dbraw/zinc/80/53/60/1434805360.db2.gz ITVHFZNEQQSMDA-UHFFFAOYSA-N 0 3 379.508 3.267 20 30 GGEDHN COCCOc1ccccc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000271178012 1434806596 /nfs/dbraw/zinc/80/65/96/1434806596.db2.gz NXNHOQMTDPJJLM-UHFFFAOYSA-N 0 3 393.487 3.434 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434334 1434824501 /nfs/dbraw/zinc/82/45/01/1434824501.db2.gz BRRGQLNIFOAYOI-UZLBHIALSA-N 0 3 375.513 3.111 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434330 1434824517 /nfs/dbraw/zinc/82/45/17/1434824517.db2.gz BRRGQLNIFOAYOI-JXFKEZNVSA-N 0 3 375.513 3.111 20 30 GGEDHN C[C@@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(C#N)cc1 ZINC000271653550 1434842077 /nfs/dbraw/zinc/84/20/77/1434842077.db2.gz JOLFHEURWHNHHJ-QGZVFWFLSA-N 0 3 394.544 3.396 20 30 GGEDHN C=CCC[C@H](NCC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)c1ccccc1 ZINC000271697558 1434844843 /nfs/dbraw/zinc/84/48/43/1434844843.db2.gz GOBPGGFLQHUIRB-NRFANRHFSA-N 0 3 385.552 3.389 20 30 GGEDHN Cc1cc(NC(=O)N(CCCc2ccccc2)CCN(C)C)nn1CCC#N ZINC000272035701 1434867663 /nfs/dbraw/zinc/86/76/63/1434867663.db2.gz FDGZEURIXZPEMA-UHFFFAOYSA-N 0 3 382.512 3.134 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)Nc1cc(C)n(CCC#N)n1)c1cccc(OC)c1 ZINC000272055906 1434869266 /nfs/dbraw/zinc/86/92/66/1434869266.db2.gz HZSASZMVLVJELH-LJQANCHMSA-N 0 3 398.511 3.318 20 30 GGEDHN CC(C)C[C@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139233 1434874292 /nfs/dbraw/zinc/87/42/92/1434874292.db2.gz UJCRCRDGSPIFMK-RTWAWAEBSA-N 0 3 386.540 3.225 20 30 GGEDHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000272930023 1434941816 /nfs/dbraw/zinc/94/18/16/1434941816.db2.gz ZIYXYUXPJFRYFP-XLIONFOSSA-N 0 3 385.508 3.201 20 30 GGEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273392089 1434985768 /nfs/dbraw/zinc/98/57/68/1434985768.db2.gz FJMYIFGICYZQOK-RTWAWAEBSA-N 0 3 381.451 3.166 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000273429882 1434988304 /nfs/dbraw/zinc/98/83/04/1434988304.db2.gz UIYJSGJKVBOODZ-UXHICEINSA-N 0 3 375.488 3.386 20 30 GGEDHN CN1CCCN(c2ccc(-c3noc(/C=C/c4ccc(C#N)cc4)n3)cn2)CC1 ZINC000274097343 1435043495 /nfs/dbraw/zinc/04/34/95/1435043495.db2.gz YWVSWDGIIJIHJU-JXMROGBWSA-N 0 3 386.459 3.316 20 30 GGEDHN C#CCN(CCC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)C1CC1 ZINC000274227622 1435053081 /nfs/dbraw/zinc/05/30/81/1435053081.db2.gz WDNQABPILNMSNR-UHFFFAOYSA-N 0 3 391.471 3.374 20 30 GGEDHN C=CCc1cc(CN2CCC(c3nnc4n3CCCC4)CC2)cc(OC)c1O ZINC000274893011 1435101468 /nfs/dbraw/zinc/10/14/68/1435101468.db2.gz FDPGBSQERLRUKC-UHFFFAOYSA-N 0 3 382.508 3.437 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3cc(Cl)ccc3n2C)CC1 ZINC000274974478 1435107187 /nfs/dbraw/zinc/10/71/87/1435107187.db2.gz CVZPULINESABPY-UHFFFAOYSA-N 0 3 375.904 3.066 20 30 GGEDHN C=C(C)COc1cc(CN2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1OC ZINC000275154136 1435119366 /nfs/dbraw/zinc/11/93/66/1435119366.db2.gz UQATZDZZPGGDPB-HNNXBMFYSA-N 0 3 386.414 3.151 20 30 GGEDHN CO[C@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247942 1435125571 /nfs/dbraw/zinc/12/55/71/1435125571.db2.gz PUUZOLQZGCIOEB-OALUTQOASA-N 0 3 384.480 3.104 20 30 GGEDHN N#Cc1cccc(COc2cccc(CN3CC[C@H](N4CCCC4=O)C3)c2)c1 ZINC000276852090 1435237638 /nfs/dbraw/zinc/23/76/38/1435237638.db2.gz UYYZCVZJJJCIHU-NRFANRHFSA-N 0 3 375.472 3.334 20 30 GGEDHN CCCn1ccnc1CCCN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000277021479 1435252699 /nfs/dbraw/zinc/25/26/99/1435252699.db2.gz AKAYPINXOAGZQD-IBGZPJMESA-N 0 3 381.524 3.493 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000277176878 1435273822 /nfs/dbraw/zinc/27/38/22/1435273822.db2.gz GPBOUDMAQMBNHG-UHFFFAOYSA-N 0 3 379.489 3.214 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-c2cc[nH]n2)s1 ZINC000277216402 1435279568 /nfs/dbraw/zinc/27/95/68/1435279568.db2.gz LARHBFATPNEFBF-UHFFFAOYSA-N 0 3 379.489 3.214 20 30 GGEDHN C=CCSc1ccccc1NC(=O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000278629114 1435407362 /nfs/dbraw/zinc/40/73/62/1435407362.db2.gz KTHNKGIZCMKOBS-QGZVFWFLSA-N 0 3 389.565 3.088 20 30 GGEDHN N#CCCn1cc(CNC[C@H](O)c2c(F)cccc2Cl)c(-c2ccncc2)n1 ZINC000278668304 1435412201 /nfs/dbraw/zinc/41/22/01/1435412201.db2.gz NXXCBYPAKYEKAR-SFHVURJKSA-N 0 3 399.857 3.474 20 30 GGEDHN COc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000278719592 1435417062 /nfs/dbraw/zinc/41/70/62/1435417062.db2.gz SQJUUYLOIBHBIT-UHFFFAOYSA-N 0 3 377.448 3.166 20 30 GGEDHN CN(Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H](CCO)c1ccccc1 ZINC000279503872 1435506795 /nfs/dbraw/zinc/50/67/95/1435506795.db2.gz ZQGONVWAPYSPJH-NRFANRHFSA-N 0 3 375.476 3.414 20 30 GGEDHN NC(=NOCc1cccc(C(F)F)c1)c1ccccc1CN1CCC(O)CC1 ZINC000279923653 1435564095 /nfs/dbraw/zinc/56/40/95/1435564095.db2.gz URLNMMKBQCPYRJ-UHFFFAOYSA-N 0 3 389.446 3.418 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355865 1435642917 /nfs/dbraw/zinc/64/29/17/1435642917.db2.gz IQGNLQFGSDQXFV-XXBNENTESA-N 0 3 386.499 3.364 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000280355856 1435643225 /nfs/dbraw/zinc/64/32/25/1435643225.db2.gz IQGNLQFGSDQXFV-AUSIDOKSSA-N 0 3 386.499 3.364 20 30 GGEDHN C[C@@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000280381540 1435649408 /nfs/dbraw/zinc/64/94/08/1435649408.db2.gz MRMZGZAVLVJACA-AUSIDOKSSA-N 0 3 386.499 3.364 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC(n3c(C)nc4ccccc43)CC2)CC1 ZINC000280877152 1435734634 /nfs/dbraw/zinc/73/46/34/1435734634.db2.gz NAHOMQWEWKJSTE-UHFFFAOYSA-N 0 3 381.524 3.342 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)CC1 ZINC000280936247 1435744399 /nfs/dbraw/zinc/74/43/99/1435744399.db2.gz QPKKMEZDZVWBSU-UHFFFAOYSA-N 0 3 385.552 3.115 20 30 GGEDHN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(C)cc(CN(C)C)c3)CC2)o1 ZINC000281065596 1435766731 /nfs/dbraw/zinc/76/67/31/1435766731.db2.gz CVMMJBAOWDSWHC-UHFFFAOYSA-N 0 3 381.480 3.080 20 30 GGEDHN N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC(CN2CCOCC2)CC1 ZINC000281063543 1435766737 /nfs/dbraw/zinc/76/67/37/1435766737.db2.gz ZHMQRQBVAPARLG-UHFFFAOYSA-N 0 3 390.409 3.072 20 30 GGEDHN N#Cc1c2c(sc1NC(=O)CCN(CCCO)Cc1ccccn1)CCCC2 ZINC000281116541 1435777932 /nfs/dbraw/zinc/77/79/32/1435777932.db2.gz XEAOEYLEPLMBPW-UHFFFAOYSA-N 0 3 398.532 3.107 20 30 GGEDHN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1 ZINC000281352783 1435805102 /nfs/dbraw/zinc/80/51/02/1435805102.db2.gz WWVYTWSBWKGRDO-UNMCSNQZSA-N 0 3 391.515 3.101 20 30 GGEDHN CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000281352774 1435805111 /nfs/dbraw/zinc/80/51/11/1435805111.db2.gz WWVYTWSBWKGRDO-IRLDBZIGSA-N 0 3 391.515 3.101 20 30 GGEDHN Cc1ccc([C@@H](NCCCC2(C#N)CCOCC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000281410015 1435807820 /nfs/dbraw/zinc/80/78/20/1435807820.db2.gz RCAGFRNWRZYELS-HKUYNNGSSA-N 0 3 378.538 3.159 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncsc1C(F)(F)F ZINC000282900581 1435865241 /nfs/dbraw/zinc/86/52/41/1435865241.db2.gz UFMAISAJKBDOFQ-UHFFFAOYSA-N 0 3 382.411 3.238 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)CC1 ZINC000284251589 1436007193 /nfs/dbraw/zinc/00/71/93/1436007193.db2.gz CSMVVBWNFNOJOZ-UHFFFAOYSA-N 0 3 396.894 3.088 20 30 GGEDHN Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164868160 721050625 /nfs/dbraw/zinc/05/06/25/721050625.db2.gz NJCYJVSTWUPHLB-QZTJIDSGSA-N 0 3 397.910 3.098 20 30 GGEDHN Cn1cc(CN2CC[C@@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@H]3C2)cn1 ZINC001164771323 721164852 /nfs/dbraw/zinc/16/48/52/721164852.db2.gz SAGJAWAHMVSKFX-NHCUHLMSSA-N 0 3 393.611 3.002 20 30 GGEDHN N#Cc1c2c(cnc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164911321 721567196 /nfs/dbraw/zinc/56/71/96/721567196.db2.gz YXQAHKWOGRSFOB-AZUAARDMSA-N 0 3 392.478 3.313 20 30 GGEDHN N#Cc1c2c(cnc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C1)CCCC2 ZINC001164911328 721567424 /nfs/dbraw/zinc/56/74/24/721567424.db2.gz YXQAHKWOGRSFOB-UYAOXDASSA-N 0 3 392.478 3.313 20 30 GGEDHN Cc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1C#N ZINC001164907500 721701871 /nfs/dbraw/zinc/70/18/71/721701871.db2.gz UURJFZUTRRIFBO-HXUWFJFHSA-N 0 3 383.446 3.394 20 30 GGEDHN Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ccc1C#N ZINC001164906949 721713635 /nfs/dbraw/zinc/71/36/35/721713635.db2.gz PBSAILQYPYHKCH-HXUWFJFHSA-N 0 3 383.446 3.394 20 30 GGEDHN Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164979903 722101995 /nfs/dbraw/zinc/10/19/95/722101995.db2.gz IFZBYZGVKNUABA-PKOBYXMFSA-N 0 3 397.910 3.037 20 30 GGEDHN CC(C)c1ccc(C#N)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983914 722103421 /nfs/dbraw/zinc/10/34/21/722103421.db2.gz QYJWZCKFVCBVLP-UNMCSNQZSA-N 0 3 391.519 3.199 20 30 GGEDHN N#Cc1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973863 722111091 /nfs/dbraw/zinc/11/10/91/722111091.db2.gz HNLFECKAVAJTMM-JTHBVZDNSA-N 0 3 399.498 3.229 20 30 GGEDHN Cc1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1C#N ZINC001164971106 722155390 /nfs/dbraw/zinc/15/53/90/722155390.db2.gz AQTVUQRVBQOHEE-FXAWDEMLSA-N 0 3 397.910 3.037 20 30 GGEDHN C=CC[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744139 945278990 /nfs/dbraw/zinc/27/89/90/945278990.db2.gz XRLFRPVSJMPMTN-UHFFFAOYSA-N 0 3 398.417 3.162 20 30 GGEDHN C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819744139 945279003 /nfs/dbraw/zinc/27/90/03/945279003.db2.gz XRLFRPVSJMPMTN-UHFFFAOYSA-N 0 3 398.417 3.162 20 30 GGEDHN C=CCOc1ccc(C[NH2+][C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1Cl ZINC001573348712 947586668 /nfs/dbraw/zinc/58/66/68/947586668.db2.gz SNNVLKMETLMOPU-KRWDZBQOSA-N 0 3 381.867 3.342 20 30 GGEDHN C=CCOc1ccc(C[NH2+][C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1Cl ZINC001573348712 947586678 /nfs/dbraw/zinc/58/66/78/947586678.db2.gz SNNVLKMETLMOPU-KRWDZBQOSA-N 0 3 381.867 3.342 20 30 GGEDHN CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CC[N@@H+]1Cc1ccccc1 ZINC001574099473 949173445 /nfs/dbraw/zinc/17/34/45/949173445.db2.gz KXSZAWGEJXUPEV-HXUWFJFHSA-N 0 3 387.491 3.085 20 30 GGEDHN CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CC[N@H+]1Cc1ccccc1 ZINC001574099473 949173460 /nfs/dbraw/zinc/17/34/60/949173460.db2.gz KXSZAWGEJXUPEV-HXUWFJFHSA-N 0 3 387.491 3.085 20 30 GGEDHN CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CC[N@@H+]1Cc1ccccc1 ZINC001574099473 949173473 /nfs/dbraw/zinc/17/34/73/949173473.db2.gz KXSZAWGEJXUPEV-HXUWFJFHSA-N 0 3 387.491 3.085 20 30 GGEDHN CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CC[N@H+]1Cc1ccccc1 ZINC001574099473 949173483 /nfs/dbraw/zinc/17/34/83/949173483.db2.gz KXSZAWGEJXUPEV-HXUWFJFHSA-N 0 3 387.491 3.085 20 30 GGEDHN C#CCOc1ccc(Br)cc1CN[C@H](CO)Cc1ccc(F)cc1 ZINC000791003146 1126110316 /nfs/dbraw/zinc/11/03/16/1126110316.db2.gz UFBDQPQTAJACJV-SFHVURJKSA-N 0 3 392.268 3.293 20 30 GGEDHN COc1ccc(C[C@](C)(CO)NCc2ccc(C#N)cc2OC(F)F)cc1 ZINC001176587258 1126149706 /nfs/dbraw/zinc/14/97/06/1126149706.db2.gz HZZKWCZBSRPTOG-HXUWFJFHSA-N 0 3 376.403 3.252 20 30 GGEDHN O=C(CCSc1ccc(Br)cc1)NC[C@]1(O)CN2CCC1CC2 ZINC000328592088 534766486 /nfs/dbraw/zinc/76/64/86/534766486.db2.gz YLDQYYHVIGQWDV-KRWDZBQOSA-N 0 3 399.354 3.345 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cccc(I)c2)nc(C)n1 ZINC000041574229 564434300 /nfs/dbraw/zinc/43/43/00/564434300.db2.gz GPIOKZWRFHQCNI-CYBMUJFWSA-N 0 3 377.185 3.188 20 30 GGEDHN C[C@H](CCc1ccc(Br)cc1)N[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115597969 564196432 /nfs/dbraw/zinc/19/64/32/564196432.db2.gz KMMGXPHWAHCJBB-FZKQIMNGSA-N 0 3 386.293 3.458 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000115844432 564199594 /nfs/dbraw/zinc/19/95/94/564199594.db2.gz JPPBHHNZCLFSMT-IJEWVQPXSA-N 0 3 381.929 3.238 20 30 GGEDHN C=C(C)C[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000022798391 564320429 /nfs/dbraw/zinc/32/04/29/564320429.db2.gz HIYFHVKDCOMTLP-UHFFFAOYSA-O 0 3 375.539 3.249 20 30 GGEDHN CN(Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000025867270 564341734 /nfs/dbraw/zinc/34/17/34/564341734.db2.gz FXGCNPCUHXEJKR-GOSISDBHSA-N 0 3 389.293 3.387 20 30 GGEDHN CN(Cc1cccc(C#N)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000026328329 564346143 /nfs/dbraw/zinc/34/61/43/564346143.db2.gz SRGPSQVQDNAAGS-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(I)cc2)nc(C)n1 ZINC000041574320 564434546 /nfs/dbraw/zinc/43/45/46/564434546.db2.gz HVPOMTXVJUROOO-ZDUSSCGKSA-N 0 3 377.185 3.188 20 30 GGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000057764761 564673096 /nfs/dbraw/zinc/67/30/96/564673096.db2.gz ASXRBRZYIZGIDR-UHFFFAOYSA-N 0 3 377.535 3.152 20 30 GGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cccc(C#N)c1 ZINC000057764758 564673422 /nfs/dbraw/zinc/67/34/22/564673422.db2.gz IIAHAWKTNBWSFG-UHFFFAOYSA-N 0 3 377.535 3.152 20 30 GGEDHN CSCC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1ccc(N(C)C)cc1 ZINC000131251094 564706097 /nfs/dbraw/zinc/70/60/97/564706097.db2.gz AFHFSQZZFIHTDN-UHFFFAOYSA-O 0 3 394.611 3.301 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)o1 ZINC000065931247 564752794 /nfs/dbraw/zinc/75/27/94/564752794.db2.gz LSVHQYJZVIXKMF-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN Cc1ccc(C(=O)C(C(=S)[N-]C[C@@H]2CCCCO2)[n+]2ccccc2)s1 ZINC000134136943 564794195 /nfs/dbraw/zinc/79/41/95/564794195.db2.gz VJHDZTRMFJSDIT-HNNXBMFYSA-O 0 3 375.539 3.442 20 30 GGEDHN N#CC(C(=O)c1ccc(Br)c(F)c1)c1nnc2n1CCCCC2 ZINC000069345677 564837809 /nfs/dbraw/zinc/83/78/09/564837809.db2.gz XVQFQJGUUVBCBD-NSHDSACASA-N 0 3 377.217 3.396 20 30 GGEDHN C=CCNc1ncc(C(=O)NCC2CCN(Cc3cccs3)CC2)s1 ZINC000136230718 564847200 /nfs/dbraw/zinc/84/72/00/564847200.db2.gz WLQCXLGSRKTECY-UHFFFAOYSA-N 0 3 376.551 3.445 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000106040270 564976875 /nfs/dbraw/zinc/97/68/75/564976875.db2.gz GRSUNFWMBOLURP-UHFFFAOYSA-N 0 3 385.277 3.124 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2I)CC1 ZINC000106039701 564976982 /nfs/dbraw/zinc/97/69/82/564976982.db2.gz JMJODQOGPSJMRR-UHFFFAOYSA-N 0 3 384.261 3.062 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(Br)ccc2F)CC1 ZINC000106259757 564980760 /nfs/dbraw/zinc/98/07/60/564980760.db2.gz GPZRJSDKXBMEIM-UHFFFAOYSA-N 0 3 384.293 3.428 20 30 GGEDHN CN(Cc1ccccc1)C[C@H](O)COc1ccc(Br)cc1C#N ZINC000154122891 565027078 /nfs/dbraw/zinc/02/70/78/565027078.db2.gz CUJHLBZHWNQMGB-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN CC(C)(Cc1ccc(Br)cc1)NCC(=O)N(CCC#N)CCC#N ZINC000109818654 565031965 /nfs/dbraw/zinc/03/19/65/565031965.db2.gz UAYIYEPJBJYLJH-UHFFFAOYSA-N 0 3 391.313 3.016 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2C[C@@]23CCc2cc(Br)ccc23)CC1 ZINC000369204283 565081119 /nfs/dbraw/zinc/08/11/19/565081119.db2.gz OCDAWMSHAUXIRC-UYAOXDASSA-N 0 3 389.337 3.420 20 30 GGEDHN O=C(c1cccc(Cl)c1)C(C(=S)[N-]C1CCC1)[n+]1cccc(CO)c1 ZINC000292420761 565114809 /nfs/dbraw/zinc/11/48/09/565114809.db2.gz ZXDMCFVVDAKTIE-UHFFFAOYSA-O 0 3 375.901 3.201 20 30 GGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000267989833 565137172 /nfs/dbraw/zinc/13/71/72/565137172.db2.gz RAIMZCUYCKVITN-RDTXWAMCSA-N 0 3 378.567 3.497 20 30 GGEDHN CC(C)(C#N)CCN1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000157722004 565142572 /nfs/dbraw/zinc/14/25/72/565142572.db2.gz YEFGMJISNRTYEB-ZDUSSCGKSA-N 0 3 379.302 3.434 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2nccnc2C)cc1OC ZINC000292957078 565143320 /nfs/dbraw/zinc/14/33/20/565143320.db2.gz JECMPXVRMQSKRJ-UHFFFAOYSA-N 0 3 392.297 3.453 20 30 GGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1nc(-c2ccccc2Cl)cs1 ZINC000185302984 565194821 /nfs/dbraw/zinc/19/48/21/565194821.db2.gz BZEXYIIXQSOCGZ-LLVKDONJSA-N 0 3 384.910 3.069 20 30 GGEDHN CSCC[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cccc(CO)c1 ZINC000269709714 565198025 /nfs/dbraw/zinc/19/80/25/565198025.db2.gz PTJFUJPJGLTNOQ-UHFFFAOYSA-O 0 3 395.595 3.036 20 30 GGEDHN C[C@H]1CN(CC2CCN(c3ncc(Br)cc3C#N)CC2)C[C@H](C)O1 ZINC000295431206 565266029 /nfs/dbraw/zinc/26/60/29/565266029.db2.gz FSAMINHXRXQKAA-KBPBESRZSA-N 0 3 393.329 3.041 20 30 GGEDHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)C1 ZINC000297140260 565357616 /nfs/dbraw/zinc/35/76/16/565357616.db2.gz SVQQIMFWEHRWDC-QGZVFWFLSA-N 0 3 377.286 3.270 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 ZINC000170946185 565401071 /nfs/dbraw/zinc/40/10/71/565401071.db2.gz DSOVDBGRGJPAPT-UHFFFAOYSA-N 0 3 389.297 3.015 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2cccc(Br)c2)CC1 ZINC000171554767 565437312 /nfs/dbraw/zinc/43/73/12/565437312.db2.gz DQOGPHBOUVBAJE-UHFFFAOYSA-N 0 3 396.329 3.168 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(F)cc2Br)CC1 ZINC000171560596 565437592 /nfs/dbraw/zinc/43/75/92/565437592.db2.gz IJHRFDJBQPQTDE-UHFFFAOYSA-N 0 3 384.293 3.428 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2ncnc3sc(C)c(C)c32)CC1 ZINC000171724622 565446671 /nfs/dbraw/zinc/44/66/71/565446671.db2.gz WZWRJBNXKGCRKE-UHFFFAOYSA-N 0 3 376.551 3.167 20 30 GGEDHN C=CCN1CCC(NC(=O)NC2(c3ccc(Br)cc3)CC2)CC1 ZINC000171729167 565446826 /nfs/dbraw/zinc/44/68/26/565446826.db2.gz XNEITRAKNIPMII-UHFFFAOYSA-N 0 3 378.314 3.388 20 30 GGEDHN FC(F)C(F)(F)COCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000189876742 565494848 /nfs/dbraw/zinc/49/48/48/565494848.db2.gz KXOWNNMLCVLEPK-UHFFFAOYSA-N 0 3 377.304 3.456 20 30 GGEDHN N#Cc1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c(Br)c1 ZINC000302046961 565527105 /nfs/dbraw/zinc/52/71/05/565527105.db2.gz LJIBJOIGXIJYDJ-KRWDZBQOSA-N 0 3 386.293 3.499 20 30 GGEDHN CN(C)CCOc1cc(CNc2ccc(Br)cc2C#N)ccn1 ZINC000302091200 565529884 /nfs/dbraw/zinc/52/98/84/565529884.db2.gz PQETZSHKBZSPGS-UHFFFAOYSA-N 0 3 375.270 3.268 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000173274354 565543685 /nfs/dbraw/zinc/54/36/85/565543685.db2.gz DSVFDDCEFBOKEZ-UHFFFAOYSA-N 0 3 390.698 3.352 20 30 GGEDHN CCC(C)(C)[N-]C(=S)C(C(=O)c1nccs1)[n+]1ccc(N(C)C)cc1 ZINC000278274665 565548803 /nfs/dbraw/zinc/54/88/03/565548803.db2.gz PDZBKBOVMJNURO-UHFFFAOYSA-O 0 3 377.559 3.214 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2cccc(Br)c2)CC1 ZINC000173580442 565568504 /nfs/dbraw/zinc/56/85/04/565568504.db2.gz KJLZVHPDHKNKDC-AWEZNQCLSA-N 0 3 381.314 3.373 20 30 GGEDHN N#C[C@H]1CC[C@H](N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)C1 ZINC000278706701 565574104 /nfs/dbraw/zinc/57/41/04/565574104.db2.gz UBAOFUGNOHGGFA-WFASDCNBSA-N 0 3 377.286 3.187 20 30 GGEDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155255 565597079 /nfs/dbraw/zinc/59/70/79/565597079.db2.gz QCDJPIAHHVCWRX-IJEWVQPXSA-N 0 3 381.929 3.238 20 30 GGEDHN CN(Cc1ccc(Br)cc1)C[C@@H](O)COc1ccccc1C#N ZINC000321565508 565605736 /nfs/dbraw/zinc/60/57/36/565605736.db2.gz NFNWXGZSVSPNDM-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN N#CC(C(=O)c1ccc(F)c(Br)c1)c1nnc2n1CCCCC2 ZINC000174008656 565606653 /nfs/dbraw/zinc/60/66/53/565606653.db2.gz UXBXWNAJEGDOQV-NSHDSACASA-N 0 3 377.217 3.396 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1COc2cc(F)c(Br)cc21 ZINC000328670534 565637974 /nfs/dbraw/zinc/63/79/74/565637974.db2.gz MSQRCCSTOJIOEI-TURNYIBQSA-N 0 3 398.276 3.008 20 30 GGEDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000328757320 565640929 /nfs/dbraw/zinc/64/09/29/565640929.db2.gz UYOMDHYECNMZNR-CVEARBPZSA-N 0 3 394.313 3.243 20 30 GGEDHN CN(Cc1cc(Br)cn1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280074240 565650355 /nfs/dbraw/zinc/65/03/55/565650355.db2.gz NKESTALIZBTQNL-OAHLLOKOSA-N 0 3 385.265 3.000 20 30 GGEDHN CN(Cc1cc(Br)cn1C)C(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280074237 565650761 /nfs/dbraw/zinc/65/07/61/565650761.db2.gz NKESTALIZBTQNL-HNNXBMFYSA-N 0 3 385.265 3.000 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CCN1C ZINC000329709047 565676599 /nfs/dbraw/zinc/67/65/99/565676599.db2.gz LINNFXDWCUOOBI-WQVCFCJDSA-N 0 3 381.929 3.294 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)cc3c2OCC3)CN1C1CC1 ZINC000329731564 565677879 /nfs/dbraw/zinc/67/78/79/565677879.db2.gz IHEPPDDYFKQNQB-IAQYHMDHSA-N 0 3 394.313 3.013 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1CCOc2ccc(Br)cc21 ZINC000329779951 565680268 /nfs/dbraw/zinc/68/02/68/565680268.db2.gz RKUWBUFAAINERV-RLCCDNCMSA-N 0 3 394.313 3.259 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000329810479 565680946 /nfs/dbraw/zinc/68/09/46/565680946.db2.gz BNTACYBJTGTGCY-YGRLFVJLSA-N 0 3 381.270 3.008 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCOc2ccc(Br)cc21 ZINC000329779950 565681234 /nfs/dbraw/zinc/68/12/34/565681234.db2.gz RKUWBUFAAINERV-LYRGGWFBSA-N 0 3 394.313 3.259 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000329827831 565681824 /nfs/dbraw/zinc/68/18/24/565681824.db2.gz JCTDDLOCFMAQHW-ABAIWWIYSA-N 0 3 395.297 3.202 20 30 GGEDHN CS[C@@H]1CN(C(=O)C[C@H](NC(C)=O)c2cccs2)C[C@@H]1N1CCCC1 ZINC000330122752 565693252 /nfs/dbraw/zinc/69/32/52/565693252.db2.gz KKKVYUHPGHEXPT-YQQAZPJKSA-N 0 3 381.567 3.194 20 30 GGEDHN CC(C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1)S(=O)(=O)C1CCOCC1 ZINC000330166567 565696240 /nfs/dbraw/zinc/69/62/40/565696240.db2.gz VGKSHBGGRRVBIU-NWDGAFQWSA-N 0 3 388.555 3.440 20 30 GGEDHN N#Cc1cc(S(=O)(=O)NC2CCN(C3CCCCC3)CC2)ccc1Cl ZINC000175418051 565698611 /nfs/dbraw/zinc/69/86/11/565698611.db2.gz IKSHXYAUWSDYKK-UHFFFAOYSA-N 0 3 381.929 3.287 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000281602159 565738921 /nfs/dbraw/zinc/73/89/21/565738921.db2.gz BBVGODUCIRQESD-UHFFFAOYSA-N 0 3 388.270 3.228 20 30 GGEDHN COc1ccc(Br)cc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000331098721 565739195 /nfs/dbraw/zinc/73/91/95/565739195.db2.gz AGHNIPKDTRWLGC-HNNXBMFYSA-N 0 3 388.331 3.221 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccoc1Br ZINC000193784389 565775915 /nfs/dbraw/zinc/77/59/15/565775915.db2.gz SLSIFNFCXAWNIK-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN CCN(CC)S(=O)(=O)c1ccc(CCNCc2ccc(C#N)s2)s1 ZINC000176962745 565818669 /nfs/dbraw/zinc/81/86/69/565818669.db2.gz BQBFGGHKRIJDPW-UHFFFAOYSA-N 0 3 383.564 3.044 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000283963878 565837035 /nfs/dbraw/zinc/83/70/35/565837035.db2.gz LUGKYKVHNADTQS-UHFFFAOYSA-N 0 3 382.258 3.046 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000177260829 565839937 /nfs/dbraw/zinc/83/99/37/565839937.db2.gz PWHVVHUORKMYMS-UHFFFAOYSA-N 0 3 382.258 3.128 20 30 GGEDHN N#Cc1csc(CNCCCNC(=O)c2cccc(Br)c2)c1 ZINC000177693770 565867741 /nfs/dbraw/zinc/86/77/41/565867741.db2.gz GFZLWMHHWNZBME-UHFFFAOYSA-N 0 3 378.295 3.292 20 30 GGEDHN N#Cc1csc(CNCCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1 ZINC000177707268 565869440 /nfs/dbraw/zinc/86/94/40/565869440.db2.gz DLCAEAIULXHKAZ-UHFFFAOYSA-N 0 3 395.575 3.188 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N2CCSC(C)(C)CC2)cc1 ZINC000287478848 566021266 /nfs/dbraw/zinc/02/12/66/566021266.db2.gz YTQJNBDKLDTCSB-ZDUSSCGKSA-N 0 3 381.523 3.122 20 30 GGEDHN C[C@@](Cc1cccc(Br)c1)(NCC(=O)NCC#N)c1ccccc1 ZINC000179962071 566022041 /nfs/dbraw/zinc/02/20/41/566022041.db2.gz NSOXTAUXBPDONJ-IBGZPJMESA-N 0 3 386.293 3.136 20 30 GGEDHN [NH3+]CC[C@@H](NC(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986441 566024060 /nfs/dbraw/zinc/02/40/60/566024060.db2.gz ANYINABTCCZJKI-SCZZXKLOSA-N 0 3 379.251 3.147 20 30 GGEDHN CC[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cc1 ZINC000180879481 566096308 /nfs/dbraw/zinc/09/63/08/566096308.db2.gz VDBMKPSSAGJNBX-UPTRSRDDSA-N 0 3 378.270 3.016 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000180879382 566096359 /nfs/dbraw/zinc/09/63/59/566096359.db2.gz YQHMWERDDJKOQX-UHFFFAOYSA-N 0 3 385.291 3.302 20 30 GGEDHN CC[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccc(Br)cc1 ZINC000180879466 566096652 /nfs/dbraw/zinc/09/66/52/566096652.db2.gz VDBMKPSSAGJNBX-HYEKCJMVSA-N 0 3 378.270 3.016 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C)CC(F)(F)F)cc1 ZINC000417053315 566121567 /nfs/dbraw/zinc/12/15/67/566121567.db2.gz RSQHNYCRUQRJHM-MNOVXSKESA-N 0 3 377.388 3.082 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 ZINC000290135687 566158414 /nfs/dbraw/zinc/15/84/14/566158414.db2.gz BEHSBZNZAIZPIG-UHFFFAOYSA-N 0 3 378.826 3.020 20 30 GGEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CCCN(C2CCC2)C1 ZINC000183018439 566234922 /nfs/dbraw/zinc/23/49/22/566234922.db2.gz PZVXBKNVMHZKBY-DZGCQCFKSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000183034313 566235944 /nfs/dbraw/zinc/23/59/44/566235944.db2.gz MZFPIQOLYLLCRF-KGLIPLIRSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCN(C2CCC2)C1 ZINC000183034252 566235978 /nfs/dbraw/zinc/23/59/78/566235978.db2.gz MZFPIQOLYLLCRF-UONOGXRCSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCN(C2CCC2)C1 ZINC000183034294 566236195 /nfs/dbraw/zinc/23/61/95/566236195.db2.gz MZFPIQOLYLLCRF-KBPBESRZSA-N 0 3 381.929 3.143 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@@H]1CCCCN(C)C1 ZINC000599416136 566264556 /nfs/dbraw/zinc/26/45/56/566264556.db2.gz SZBFBGUNFXFRGD-HNNXBMFYSA-N 0 3 377.535 3.092 20 30 GGEDHN N#Cc1ccc(CNCCOc2ccc(I)cc2)c(F)c1 ZINC000509441855 566305856 /nfs/dbraw/zinc/30/58/56/566305856.db2.gz ZWTMCIRWSCKWQW-UHFFFAOYSA-N 0 3 396.203 3.471 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCN2CCCC2=O)cc1OCC ZINC000576113887 566316768 /nfs/dbraw/zinc/31/67/68/566316768.db2.gz BJBHDMWGZZYADM-UHFFFAOYSA-N 0 3 397.313 3.125 20 30 GGEDHN CN(C)CCN(Cc1cc(C#N)n(C)c1)Cc1ccc(Br)cc1 ZINC000576194679 566323109 /nfs/dbraw/zinc/32/31/09/566323109.db2.gz MWINBKNQUUGMRH-UHFFFAOYSA-N 0 3 375.314 3.223 20 30 GGEDHN C[C@@H]1C[C@H](N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000420935230 566329943 /nfs/dbraw/zinc/32/99/43/566329943.db2.gz JNTWABDUZMAGMS-ZTFGCOKTSA-N 0 3 378.314 3.199 20 30 GGEDHN N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCCC[C@@H]2O)CC1 ZINC000576520332 566353161 /nfs/dbraw/zinc/35/31/61/566353161.db2.gz LRYHLYKPSJZQSB-QRQLOZEOSA-N 0 3 392.341 3.182 20 30 GGEDHN Cc1c(Br)cccc1CNC[C@H](O)COc1ccccc1C#N ZINC000600750919 566362390 /nfs/dbraw/zinc/36/23/90/566362390.db2.gz XQKAQBIRHMNPLQ-INIZCTEOSA-N 0 3 375.266 3.159 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cccc(Br)c2)cc1F ZINC000421384619 566371765 /nfs/dbraw/zinc/37/17/65/566371765.db2.gz KJHIPIPBGHKZKA-OAHLLOKOSA-N 0 3 377.257 3.401 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(Br)cnc2OCC2CC2)CC1 ZINC000510300225 566373723 /nfs/dbraw/zinc/37/37/23/566373723.db2.gz YLYGHEKLOHRLBY-UHFFFAOYSA-N 0 3 394.313 3.013 20 30 GGEDHN CN(CCc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000463426824 566411175 /nfs/dbraw/zinc/41/11/75/566411175.db2.gz RDYYPNLKFBRRFZ-SFHVURJKSA-N 0 3 389.293 3.235 20 30 GGEDHN CC[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 ZINC000447534006 566414753 /nfs/dbraw/zinc/41/47/53/566414753.db2.gz UHTOMLBAEQKDJZ-SFHVURJKSA-N 0 3 377.897 3.231 20 30 GGEDHN N#Cc1cccc(S(=O)(=O)CCNCCc2cccc(Cl)c2Cl)c1 ZINC000577363584 566429262 /nfs/dbraw/zinc/42/92/62/566429262.db2.gz XPNBAZLHEQGTHD-UHFFFAOYSA-N 0 3 383.300 3.471 20 30 GGEDHN CN(C)CCN(Cc1ncc(Br)s1)Cc1ccc(C#N)cc1 ZINC000577562060 566445376 /nfs/dbraw/zinc/44/53/76/566445376.db2.gz OQJNAFFLDVQBIJ-UHFFFAOYSA-N 0 3 379.327 3.341 20 30 GGEDHN C=CCNC(=O)CN[C@@H](C)COc1ccc2cc(Br)ccc2c1 ZINC000558134032 566451247 /nfs/dbraw/zinc/45/12/47/566451247.db2.gz NHWPVCTWJRDZLK-ZDUSSCGKSA-N 0 3 377.282 3.261 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)N1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000602529063 566476644 /nfs/dbraw/zinc/47/66/44/566476644.db2.gz DNXMINADYYXJNZ-LSDHHAIUSA-N 0 3 382.327 3.163 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)N[C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000602544262 566478163 /nfs/dbraw/zinc/47/81/63/566478163.db2.gz GREJYLZZAQMSPN-ZBFHGGJFSA-N 0 3 389.297 3.445 20 30 GGEDHN C[C@@H](CC1(C#N)CCOCC1)NCc1cc2c(c(Br)c1)OCO2 ZINC000602585601 566479666 /nfs/dbraw/zinc/47/96/66/566479666.db2.gz HGUWMLLJCQLKQW-LBPRGKRZSA-N 0 3 381.270 3.366 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(I)c(F)c2)nc(C)n1 ZINC000511744253 566487061 /nfs/dbraw/zinc/48/70/61/566487061.db2.gz WILNAOLXDFCYTB-LLVKDONJSA-N 0 3 395.175 3.327 20 30 GGEDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br ZINC000448755542 566492771 /nfs/dbraw/zinc/49/27/71/566492771.db2.gz FKLFZSZBHRUSMP-MRXNPFEDSA-N 0 3 386.293 3.223 20 30 GGEDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(C#N)c1Br ZINC000448755541 566493615 /nfs/dbraw/zinc/49/36/15/566493615.db2.gz FKLFZSZBHRUSMP-INIZCTEOSA-N 0 3 386.293 3.223 20 30 GGEDHN N#CCC1(CN2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000602790822 566494387 /nfs/dbraw/zinc/49/43/87/566494387.db2.gz KSAKXRLGNJBDPX-ZDUSSCGKSA-N 0 3 377.286 3.188 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CNCc2cc(Br)cs2)cc1 ZINC000558735811 566503913 /nfs/dbraw/zinc/50/39/13/566503913.db2.gz STPRYMPBKZEXEK-CQSZACIVSA-N 0 3 381.295 3.106 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000424106729 566512665 /nfs/dbraw/zinc/51/26/65/566512665.db2.gz SVALBUKLJYNAKD-MRXNPFEDSA-N 0 3 384.307 3.179 20 30 GGEDHN N#CCCC[C@H](N)C(=O)NCCCCSc1ccccc1Br ZINC000424135144 566514723 /nfs/dbraw/zinc/51/47/23/566514723.db2.gz IYATUAQLEZXYBD-AWEZNQCLSA-N 0 3 384.343 3.459 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)c1cc(Br)c(=O)[nH]c1C)C(C)C ZINC000512334344 566527127 /nfs/dbraw/zinc/52/71/27/566527127.db2.gz QEWHSGTXCFGMKE-MRXNPFEDSA-N 0 3 396.329 3.287 20 30 GGEDHN C=CCN1CCC(NC(=O)NC(C)(C)c2nc(C(F)(F)F)cs2)CC1 ZINC000465857796 566549636 /nfs/dbraw/zinc/54/96/36/566549636.db2.gz HRKQEMGCQMJGOK-UHFFFAOYSA-N 0 3 376.448 3.347 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000465857894 566549860 /nfs/dbraw/zinc/54/98/60/566549860.db2.gz JBMMZPGPEGGDNT-CQSZACIVSA-N 0 3 396.329 3.166 20 30 GGEDHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNCC(C)(C)CCC#N ZINC000449333815 566550966 /nfs/dbraw/zinc/55/09/66/566550966.db2.gz WCJNGBPRXKOSGJ-ZDUSSCGKSA-N 0 3 396.329 3.382 20 30 GGEDHN C=CCC[C@H](NCCN1CCCS1(=O)=O)c1ccc(C(F)(F)F)cc1 ZINC000539335794 566573907 /nfs/dbraw/zinc/57/39/07/566573907.db2.gz MRHJAPFGNHNAQH-INIZCTEOSA-N 0 3 376.444 3.338 20 30 GGEDHN C=C(C)COc1cc(CNCCn2cc(Br)cn2)ccc1OC ZINC000513027038 566574628 /nfs/dbraw/zinc/57/46/28/566574628.db2.gz IHPLQXFTWURTHM-UHFFFAOYSA-N 0 3 380.286 3.399 20 30 GGEDHN N#Cc1ccc(CNC[C@H](CO)Cc2cc(Br)ccc2F)s1 ZINC000449596534 566578776 /nfs/dbraw/zinc/57/87/76/566578776.db2.gz BTBVWGLZAOICAL-LLVKDONJSA-N 0 3 383.286 3.462 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCNCCCCc2ccc(Cl)s2)nc1 ZINC000579223672 566590975 /nfs/dbraw/zinc/59/09/75/566590975.db2.gz KLJYOZNFSLURPK-UHFFFAOYSA-N 0 3 383.926 3.054 20 30 GGEDHN CN(C)C1(CNC(=O)c2cccc(C#N)c2Br)Cc2ccccc2C1 ZINC000449935682 566617544 /nfs/dbraw/zinc/61/75/44/566617544.db2.gz SKXZUXUJCCUQBP-UHFFFAOYSA-N 0 3 398.304 3.150 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Br)c(C3CC3)n2)CC1 ZINC000560443577 566626788 /nfs/dbraw/zinc/62/67/88/566626788.db2.gz XGLORZQRCMAQSW-UHFFFAOYSA-N 0 3 379.302 3.493 20 30 GGEDHN CCOC(=O)COc1c(Br)cc(C)cc1CN[C@@H]1CC[C@H](C#N)C1 ZINC000425349755 566633330 /nfs/dbraw/zinc/63/33/30/566633330.db2.gz HEOPLEQZGZUJDQ-DZGCQCFKSA-N 0 3 395.297 3.481 20 30 GGEDHN C[C@H](NCCc1cccc(C#N)c1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000467457931 566648072 /nfs/dbraw/zinc/64/80/72/566648072.db2.gz XJBOYVAMEJGQSU-NSHDSACASA-N 0 3 398.315 3.406 20 30 GGEDHN N#Cc1cc(Br)ccc1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000450590546 566688024 /nfs/dbraw/zinc/68/80/24/566688024.db2.gz WEESWBVAVSTKRB-UHFFFAOYSA-N 0 3 399.292 3.362 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]nc(CC)c1Br)C(C)C ZINC000468508658 566705306 /nfs/dbraw/zinc/70/53/06/566705306.db2.gz VFKCLCQFDHPNFW-AWEZNQCLSA-N 0 3 383.334 3.163 20 30 GGEDHN COC(=O)C1CCN(CCCNc2cccc(Br)c2C#N)CC1 ZINC000580635752 566710378 /nfs/dbraw/zinc/71/03/78/566710378.db2.gz GINMUKVSHWYDQN-UHFFFAOYSA-N 0 3 380.286 3.008 20 30 GGEDHN N#Cc1ccc([C@@H](NCCc2c[nH]c3ccc(Br)cc23)C(N)=O)cc1 ZINC000541282627 566711149 /nfs/dbraw/zinc/71/11/49/566711149.db2.gz OYXHMMRKEQKDET-GOSISDBHSA-N 0 3 397.276 3.161 20 30 GGEDHN N#Cc1ccccc1OCCN(CCO)Cc1cccc(Br)c1 ZINC000488200395 566714651 /nfs/dbraw/zinc/71/46/51/566714651.db2.gz MVGMVRFKFBUWMN-UHFFFAOYSA-N 0 3 375.266 3.194 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@@H](O)C(F)F)cc1OCC ZINC000561534851 566717333 /nfs/dbraw/zinc/71/73/33/566717333.db2.gz WOKWRCDPFXKAFU-GFCCVEGCSA-N 0 3 380.229 3.128 20 30 GGEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC000515559475 566720993 /nfs/dbraw/zinc/72/09/93/566720993.db2.gz QMEWMURDCIUFAD-STQMWFEESA-N 0 3 393.333 3.141 20 30 GGEDHN COC(=O)C1CCN(CCCNc2cc(Br)c(C#N)cc2F)CC1 ZINC000581036638 566745984 /nfs/dbraw/zinc/74/59/84/566745984.db2.gz BVYVVOISEIRFBX-UHFFFAOYSA-N 0 3 398.276 3.147 20 30 GGEDHN C=CCOc1ccc(CN(C)CCn2cc(Br)cn2)cc1OC ZINC000561987295 566753928 /nfs/dbraw/zinc/75/39/28/566753928.db2.gz HPUDCRDLOWAYNH-UHFFFAOYSA-N 0 3 380.286 3.351 20 30 GGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000469032918 566754677 /nfs/dbraw/zinc/75/46/77/566754677.db2.gz VRHHYYBYMHFKRP-PXAZEXFGSA-N 0 3 376.865 3.109 20 30 GGEDHN Cc1cc(C(C)(C)NCC(=O)N[C@@](C)(C#N)C2CC2)ccc1Br ZINC000562059431 566760366 /nfs/dbraw/zinc/76/03/66/566760366.db2.gz DUWRYEFQSCUEEP-SFHVURJKSA-N 0 3 378.314 3.391 20 30 GGEDHN CN(CCN(C)S(=O)(=O)c1ccc(CC#N)cc1Cl)C1CCCCC1 ZINC000451121586 566762496 /nfs/dbraw/zinc/76/24/96/566762496.db2.gz SDBAWCUFJVFYIP-UHFFFAOYSA-N 0 3 383.945 3.291 20 30 GGEDHN CC1(C)Cc2c(cccc2Br)[C@H]1NCC(=O)NC1(C#N)CCC1 ZINC000562368565 566784803 /nfs/dbraw/zinc/78/48/03/566784803.db2.gz ZJBLTMXYZGZKQM-MRXNPFEDSA-N 0 3 376.298 3.225 20 30 GGEDHN CC1(C)Cc2c(cccc2Br)[C@@H]1NCC(=O)NC1(C#N)CCC1 ZINC000562368564 566785065 /nfs/dbraw/zinc/78/50/65/566785065.db2.gz ZJBLTMXYZGZKQM-INIZCTEOSA-N 0 3 376.298 3.225 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000609921851 566796139 /nfs/dbraw/zinc/79/61/39/566796139.db2.gz LOLBPHDEFPIPAP-BXUZGUMPSA-N 0 3 389.253 3.246 20 30 GGEDHN CC(C#N)C(=O)N1CCC[C@@H]1c1nc(Cc2ccc(Br)cc2)no1 ZINC000609921854 566796237 /nfs/dbraw/zinc/79/62/37/566796237.db2.gz LOLBPHDEFPIPAP-SMDDNHRTSA-N 0 3 389.253 3.246 20 30 GGEDHN N#Cc1cccc(OCCCN[C@@H](CO)c2ccc(Br)cc2)c1 ZINC000542908145 566836317 /nfs/dbraw/zinc/83/63/17/566836317.db2.gz CXEBZJHESDKFDR-SFHVURJKSA-N 0 3 375.266 3.413 20 30 GGEDHN COc1cc(C#N)ccc1OCCN[C@H](CO)c1ccc(Br)cc1 ZINC000542909648 566837265 /nfs/dbraw/zinc/83/72/65/566837265.db2.gz LZYCVPCTCILSPL-MRXNPFEDSA-N 0 3 391.265 3.031 20 30 GGEDHN C=C[C@@H]1OCC[C@H]1N[C@@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000451614870 566850644 /nfs/dbraw/zinc/85/06/44/566850644.db2.gz SUBVMNPQESOMSH-ZACQAIPSSA-N 0 3 393.325 3.494 20 30 GGEDHN C=C[C@@H]1OCC[C@H]1N[C@H]1CCCN(c2c(C)cc(Br)cc2C)C1=O ZINC000451614869 566850695 /nfs/dbraw/zinc/85/06/95/566850695.db2.gz SUBVMNPQESOMSH-IKGGRYGDSA-N 0 3 393.325 3.494 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(C)cc(I)c2)CC1 ZINC000490661853 566873498 /nfs/dbraw/zinc/87/34/98/566873498.db2.gz LFZFHOMOZGKHGC-UHFFFAOYSA-N 0 3 399.276 3.372 20 30 GGEDHN CC(C)N1CCN([C@H]2CCN(c3cc(Br)c(C#N)cc3F)C2)CC1 ZINC000563428080 566883728 /nfs/dbraw/zinc/88/37/28/566883728.db2.gz TYLWGWMMDAVPQI-HNNXBMFYSA-N 0 3 395.320 3.065 20 30 GGEDHN Cc1nn(-c2ccc(Br)cc2)cc1CNC1CCN(CC#N)CC1 ZINC000611198680 566899192 /nfs/dbraw/zinc/89/91/92/566899192.db2.gz FHLUZVLKIKSSOY-UHFFFAOYSA-N 0 3 388.313 3.021 20 30 GGEDHN N#CC1(CCCN[C@H](CO)c2ccc(Br)c(F)c2)CCOCC1 ZINC000429026503 566903033 /nfs/dbraw/zinc/90/30/33/566903033.db2.gz YQPFFIVSCLIHPV-MRXNPFEDSA-N 0 3 385.277 3.312 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC#Cc2cccc(Cl)c2)CC1 ZINC000582897663 566903299 /nfs/dbraw/zinc/90/32/99/566903299.db2.gz KNLQVHNZJJKEGU-INIZCTEOSA-N 0 3 382.957 3.074 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2cccc(Br)c2)cc1 ZINC000470844546 566909130 /nfs/dbraw/zinc/90/91/30/566909130.db2.gz MYCLFIAYZOWPOT-INIZCTEOSA-N 0 3 398.260 3.198 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(F)cc2Br)cc1 ZINC000470850212 566909237 /nfs/dbraw/zinc/90/92/37/566909237.db2.gz YVEKZNAXQDCLOB-OAHLLOKOSA-N 0 3 386.224 3.459 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2cccc(Br)c2)cc1 ZINC000470844547 566909905 /nfs/dbraw/zinc/90/99/05/566909905.db2.gz MYCLFIAYZOWPOT-MRXNPFEDSA-N 0 3 398.260 3.198 20 30 GGEDHN C=CCNC(=O)C(C)S(=O)(=O)Cc1cc(Cl)c(C)cc1Br ZINC000656532425 566912263 /nfs/dbraw/zinc/91/22/63/566912263.db2.gz FPPNQSJLCJBYHW-SNVBAGLBSA-N 0 3 394.718 3.016 20 30 GGEDHN C[C@H](NC[C@@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389556 566914989 /nfs/dbraw/zinc/91/49/89/566914989.db2.gz ZKJMUJACIQXXMB-SUMWQHHRSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@H](NC[C@H](O)COc1cccc(Br)c1)c1cccc(C#N)c1 ZINC000611386238 566915110 /nfs/dbraw/zinc/91/51/10/566915110.db2.gz GKJHKDKFCLCPBU-GUYCJALGSA-N 0 3 375.266 3.411 20 30 GGEDHN C[C@](C#N)(NC(=O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273634 566918569 /nfs/dbraw/zinc/91/85/69/566918569.db2.gz NDINKWLVDXRFAC-IEBWSBKVSA-N 0 3 390.325 3.471 20 30 GGEDHN C[C@@H](N[C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280379 566918736 /nfs/dbraw/zinc/91/87/36/566918736.db2.gz YLRVAZJBXXSACL-MLGOLLRUSA-N 0 3 378.314 3.423 20 30 GGEDHN C[C@@](C#N)(NC(=O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273638 566918910 /nfs/dbraw/zinc/91/89/10/566918910.db2.gz NDINKWLVDXRFAC-MJGOQNOKSA-N 0 3 390.325 3.471 20 30 GGEDHN CCN(CCC#N)C(=O)CN[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429272903 566919240 /nfs/dbraw/zinc/91/92/40/566919240.db2.gz LBMRLIDBEIHEQU-QGZVFWFLSA-N 0 3 378.314 3.424 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)c(Br)c1 ZINC000611500426 566921687 /nfs/dbraw/zinc/92/16/87/566921687.db2.gz ZVPOZWDEPNRXCK-KRWDZBQOSA-N 0 3 378.314 3.007 20 30 GGEDHN C=C(C)CN1CCC(NCc2cn(-c3ccccc3Br)nn2)CC1 ZINC000583113872 566922009 /nfs/dbraw/zinc/92/20/09/566922009.db2.gz QRLVHJSTWCZDML-UHFFFAOYSA-N 0 3 390.329 3.160 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(Br)cc2)cc1 ZINC000470988431 566922173 /nfs/dbraw/zinc/92/21/73/566922173.db2.gz FBBRULJWRIIYEA-QGZVFWFLSA-N 0 3 382.261 3.362 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309553 566922270 /nfs/dbraw/zinc/92/22/70/566922270.db2.gz RSJGHWGNQLVXIH-NHYWBVRUSA-N 0 3 394.313 3.062 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCc2ccc(Br)cc2)cc1 ZINC000470988430 566922378 /nfs/dbraw/zinc/92/23/78/566922378.db2.gz FBBRULJWRIIYEA-KRWDZBQOSA-N 0 3 382.261 3.362 20 30 GGEDHN N#Cc1ccc(Br)c(CN2CCC(CCN3CCOCC3)CC2)c1 ZINC000492661046 566936217 /nfs/dbraw/zinc/93/62/17/566936217.db2.gz ZXNNILLPGVDLHS-UHFFFAOYSA-N 0 3 392.341 3.255 20 30 GGEDHN CN(C)CCOc1cc(CNc2cccc(Br)c2C#N)ccn1 ZINC000519570418 566948007 /nfs/dbraw/zinc/94/80/07/566948007.db2.gz AXYKBSKEYUSVHE-UHFFFAOYSA-N 0 3 375.270 3.268 20 30 GGEDHN C[C@@H]1CN(C(=O)c2ccc(Br)cc2C#N)CCN(C2CCC2)C1 ZINC000452327388 566962353 /nfs/dbraw/zinc/96/23/53/566962353.db2.gz OVNIFALIYNCQID-ZDUSSCGKSA-N 0 3 376.298 3.267 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CCc2cccs2)cc1 ZINC000429917592 566967915 /nfs/dbraw/zinc/96/79/15/566967915.db2.gz DCUUXDAYNVBONU-ZDUSSCGKSA-N 0 3 377.491 3.140 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2)cc1 ZINC000429928128 566968106 /nfs/dbraw/zinc/96/81/06/566968106.db2.gz DCUKLQDLGZLKKN-LBPRGKRZSA-N 0 3 377.853 3.347 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000429927620 566968188 /nfs/dbraw/zinc/96/81/88/566968188.db2.gz CIFOPVFJBNIBGF-LBPRGKRZSA-N 0 3 377.853 3.347 20 30 GGEDHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000564492483 566979816 /nfs/dbraw/zinc/97/98/16/566979816.db2.gz SRKGKABPRSRFOG-CQSZACIVSA-N 0 3 383.945 3.094 20 30 GGEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1cccc(Cl)c1 ZINC000584405839 567040168 /nfs/dbraw/zinc/04/01/68/567040168.db2.gz DWBDBGGDSXRPOS-CQSZACIVSA-N 0 3 378.881 3.042 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc(C)n1 ZINC000431130157 567058493 /nfs/dbraw/zinc/05/84/93/567058493.db2.gz WQKOKRBFKJBMLJ-CYBMUJFWSA-N 0 3 375.182 3.254 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc([O-])c(Br)c1 ZINC000521995670 567091678 /nfs/dbraw/zinc/09/16/78/567091678.db2.gz NOUNGSLCBYMPMM-INIZCTEOSA-N 0 3 392.293 3.413 20 30 GGEDHN C=CCOc1c(Br)cc(CN(C)C2CCN(OC)CC2)cc1OC ZINC000453605804 567097027 /nfs/dbraw/zinc/09/70/27/567097027.db2.gz PBXPFGZCTLGSQT-UHFFFAOYSA-N 0 3 399.329 3.480 20 30 GGEDHN CCOc1c(Br)cc(C(=O)C(C#N)c2ccncn2)cc1OC ZINC000546152604 567109319 /nfs/dbraw/zinc/10/93/19/567109319.db2.gz CSLCJXXFURGNOK-LLVKDONJSA-N 0 3 376.210 3.136 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@H](NCc3ccc(C#N)cc3Br)[C@H]2C1 ZINC000588979297 567148161 /nfs/dbraw/zinc/14/81/61/567148161.db2.gz KUBGVAWRPJABHF-BQFCYCMXSA-N 0 3 376.298 3.057 20 30 GGEDHN CC(=O)N1C[C@@H]2CCC[C@@H](NCc3cc(C#N)ccc3Br)[C@H]2C1 ZINC000588978439 567148456 /nfs/dbraw/zinc/14/84/56/567148456.db2.gz ISGYUJBLOKQMIC-QILLFSRXSA-N 0 3 376.298 3.057 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H]2CCC[C@H]2C(=O)NC)cc1OC ZINC000498362717 567173344 /nfs/dbraw/zinc/17/33/44/567173344.db2.gz HXBICDOUIRDZHM-HIFRSBDPSA-N 0 3 397.313 3.027 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H]2CCC[C@@H]2C(=O)NC)cc1OC ZINC000498362719 567173603 /nfs/dbraw/zinc/17/36/03/567173603.db2.gz HXBICDOUIRDZHM-ZFWWWQNUSA-N 0 3 397.313 3.027 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000454533414 567181286 /nfs/dbraw/zinc/18/12/86/567181286.db2.gz CYIRLBZXTWWOGM-UHFFFAOYSA-N 0 3 396.304 3.306 20 30 GGEDHN CC1CCN(C[C@H](O)CNc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000566872615 567198438 /nfs/dbraw/zinc/19/84/38/567198438.db2.gz RZCDIBLFLNBAJD-CQSZACIVSA-N 0 3 386.721 3.479 20 30 GGEDHN N#CC(CCc1ccccc1)C(=O)N[C@H](CO)c1ccc(Br)cc1 ZINC000590416180 567225315 /nfs/dbraw/zinc/22/53/15/567225315.db2.gz ZKFDAQOTPNOYJQ-FUHWJXTLSA-N 0 3 387.277 3.371 20 30 GGEDHN C=CCOc1c(Br)cc(CNC[C@H]2CCCC(=O)N2)cc1OCC ZINC000433203069 567230996 /nfs/dbraw/zinc/23/09/96/567230996.db2.gz WFLNQCQTMCKLIB-CQSZACIVSA-N 0 3 397.313 3.171 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CNCCOc2cccc(Cl)c2Cl)cc1 ZINC000567681477 567267193 /nfs/dbraw/zinc/26/71/93/567267193.db2.gz SUDHCFGWRFOVQH-AWEZNQCLSA-N 0 3 381.259 3.273 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN[C@@H]2C[C@H]2c2cccc(Br)c2)cc1 ZINC000567701039 567268977 /nfs/dbraw/zinc/26/89/77/567268977.db2.gz YBOXUAMJIKHZOE-NZSAHSFTSA-N 0 3 387.277 3.206 20 30 GGEDHN N#CC1(CCCN(CCO)Cc2cccc(Br)c2)CCOCC1 ZINC000499736508 567270031 /nfs/dbraw/zinc/27/00/31/567270031.db2.gz WGBKNTBQKYHMSI-UHFFFAOYSA-N 0 3 381.314 3.344 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@H]2NC[C@H](O)COc1cccc(Br)c1 ZINC000591763926 567295368 /nfs/dbraw/zinc/29/53/68/567295368.db2.gz REWRNKPIUVBCSJ-QFBILLFUSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccc2c(c1)CC[C@@H]2NC[C@@H](O)COc1ccc(Br)cc1 ZINC000591763805 567295729 /nfs/dbraw/zinc/29/57/29/567295729.db2.gz KEEMZNQXNJOKBY-APWZRJJASA-N 0 3 387.277 3.338 20 30 GGEDHN C=CCn1c(SC[C@@H](O)CN(C)C2CC2)nnc1-c1cccc(Cl)c1 ZINC000685910172 567310392 /nfs/dbraw/zinc/31/03/92/567310392.db2.gz OKUZKJISACBSJJ-INIZCTEOSA-N 0 3 378.929 3.332 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc3c([nH]2)c(Br)ccc3OC)CC1 ZINC000592068600 567312522 /nfs/dbraw/zinc/31/25/22/567312522.db2.gz ANPFABGMPVPQOB-UHFFFAOYSA-N 0 3 392.297 3.319 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(Br)c(F)c2)cc1 ZINC000568382318 567324043 /nfs/dbraw/zinc/32/40/43/567324043.db2.gz ZMBNUOAQTXIJPI-HNNXBMFYSA-N 0 3 393.256 3.184 20 30 GGEDHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2N2CCOCC2)c(Br)c1 ZINC000618308104 567369600 /nfs/dbraw/zinc/36/96/00/567369600.db2.gz QJEWKRANLZYKLS-ZWKOTPCHSA-N 0 3 378.314 3.054 20 30 GGEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2N2CCOCC2)c(Br)c1 ZINC000618308102 567369784 /nfs/dbraw/zinc/36/97/84/567369784.db2.gz QJEWKRANLZYKLS-QZTJIDSGSA-N 0 3 378.314 3.054 20 30 GGEDHN CC(C)(C)N1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 ZINC000569074131 567376965 /nfs/dbraw/zinc/37/69/65/567376965.db2.gz UZDKBHHNRRLISP-UHFFFAOYSA-N 0 3 394.313 3.032 20 30 GGEDHN N#CC1CCC(CNCCS(=O)(=O)c2cccc(Br)c2)CC1 ZINC000569352378 567398958 /nfs/dbraw/zinc/39/89/58/567398958.db2.gz MXFSTNNDLHBLRB-UHFFFAOYSA-N 0 3 385.327 3.142 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(F)c(I)c2)nc(C)n1 ZINC000477844170 567422797 /nfs/dbraw/zinc/42/27/97/567422797.db2.gz AZPUEDINEMYPEZ-LLVKDONJSA-N 0 3 395.175 3.327 20 30 GGEDHN N#CC1(C[C@H](O)CN2CCC[C@H]([C@@H](O)c3ccc(Br)cc3)C2)CC1 ZINC000528507147 567432187 /nfs/dbraw/zinc/43/21/87/567432187.db2.gz VWCUPMGLZGYOOS-SZMVWBNQSA-N 0 3 393.325 3.249 20 30 GGEDHN COc1cc(CNCCCS(=O)(=O)c2ccc(Cl)cc2)ccc1C#N ZINC000550319942 567439689 /nfs/dbraw/zinc/43/96/89/567439689.db2.gz QRPSTMDEXIOXRY-UHFFFAOYSA-N 0 3 378.881 3.174 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cc1Br ZINC000594103933 567459749 /nfs/dbraw/zinc/45/97/49/567459749.db2.gz OUZZBTNFDRPHTQ-HZPDHXFCSA-N 0 3 377.286 3.459 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)co1 ZINC000457491749 567470121 /nfs/dbraw/zinc/47/01/21/567470121.db2.gz BZCHWYPELBSHLV-UHFFFAOYSA-N 0 3 376.254 3.118 20 30 GGEDHN Cc1c(Br)cccc1CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC000594570589 567487014 /nfs/dbraw/zinc/48/70/14/567487014.db2.gz QISHYYGCGPWMBY-MRXNPFEDSA-N 0 3 375.266 3.159 20 30 GGEDHN CCN1CCC[C@@H](CNS(=O)(=O)c2sc3ccc(C#N)cc3c2C)C1 ZINC000594752052 567506196 /nfs/dbraw/zinc/50/61/96/567506196.db2.gz IKYFBDQNZJRGHA-HNNXBMFYSA-N 0 3 377.535 3.092 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000594757643 567507923 /nfs/dbraw/zinc/50/79/23/567507923.db2.gz HMTNNIAJJFAHDU-LRDDRELGSA-N 0 3 377.535 3.042 20 30 GGEDHN O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)[C@@H]1CNCCC1(F)F ZINC000644046627 567527123 /nfs/dbraw/zinc/52/71/23/567527123.db2.gz SVRCYWOCRZHLFU-MRTMQBJTSA-N 0 3 382.295 3.257 20 30 GGEDHN N#CCN1CCC(NCc2cc(Cl)ccc2I)CC1 ZINC000594927066 567527343 /nfs/dbraw/zinc/52/73/43/567527343.db2.gz TYBBXDUSQTYONL-UHFFFAOYSA-N 0 3 389.668 3.022 20 30 GGEDHN C[C@H](NC1CCN(c2ccc(C#N)cn2)CC1)c1cncc(Br)c1 ZINC000595036565 567537070 /nfs/dbraw/zinc/53/70/70/567537070.db2.gz JNVJDAHHAAVSCZ-ZDUSSCGKSA-N 0 3 386.297 3.430 20 30 GGEDHN CC[C@H](NCCNC(=O)c1ccc(Br)cn1)c1ccc(C#N)cc1 ZINC000595056584 567539311 /nfs/dbraw/zinc/53/93/11/567539311.db2.gz MMTALAHPEMZZGI-INIZCTEOSA-N 0 3 387.281 3.186 20 30 GGEDHN N#Cc1cc(Br)ccc1CN1CCC[C@@H](N2CCOCC2)CC1 ZINC000595471440 567566121 /nfs/dbraw/zinc/56/61/21/567566121.db2.gz AUWMIFZMUZIOJO-GOSISDBHSA-N 0 3 378.314 3.007 20 30 GGEDHN N#Cc1ccc(Br)c(CN2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000595473077 567566410 /nfs/dbraw/zinc/56/64/10/567566410.db2.gz UEWUBZIRLKFUMO-QGZVFWFLSA-N 0 3 378.314 3.007 20 30 GGEDHN CN(CCC#N)C[C@H](O)CN[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000571551289 567570264 /nfs/dbraw/zinc/57/02/64/567570264.db2.gz GGRYAVQCVSOIGO-MSOLQXFVSA-N 0 3 380.330 3.086 20 30 GGEDHN N#CC[C@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614284 567573665 /nfs/dbraw/zinc/57/36/65/567573665.db2.gz JQFDWSRUBVVLHP-OCCSQVGLSA-N 0 3 387.705 3.468 20 30 GGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@H]1CCc2c1cccc2Br ZINC000530231658 567585593 /nfs/dbraw/zinc/58/55/93/567585593.db2.gz SJPKPFGGBUIUJW-KDOFPFPSSA-N 0 3 387.277 3.338 20 30 GGEDHN N#Cc1ccccc1OC[C@H](O)CN[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000530232897 567586339 /nfs/dbraw/zinc/58/63/39/567586339.db2.gz CHRJCFUBGOHFHW-FGTMMUONSA-N 0 3 387.277 3.206 20 30 GGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)c(Cl)c1 ZINC000530335244 567593590 /nfs/dbraw/zinc/59/35/90/567593590.db2.gz AZZZQYABCJOMKU-UHFFFAOYSA-N 0 3 382.693 3.174 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(Cl)c(Br)cc2OC)CC1 ZINC000572043316 567608520 /nfs/dbraw/zinc/60/85/20/567608520.db2.gz VIQBYDXKUJAORP-UHFFFAOYSA-N 0 3 387.705 3.491 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CNCc2ccc(Br)cc2)cc1 ZINC000572030502 567608672 /nfs/dbraw/zinc/60/86/72/567608672.db2.gz VJYNDXDZOGCPNO-QGZVFWFLSA-N 0 3 375.266 3.045 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2cc(Br)ccc2F)cc1 ZINC000506138953 567611582 /nfs/dbraw/zinc/61/15/82/567611582.db2.gz YDGVATKSLOURBK-AWEZNQCLSA-N 0 3 386.224 3.459 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CNCc2ccc(Br)s2)cc1 ZINC000552854480 567613166 /nfs/dbraw/zinc/61/31/66/567613166.db2.gz QMTJNOIRIVCIOP-ZDUSSCGKSA-N 0 3 381.295 3.106 20 30 GGEDHN COc1cc(CNC[C@H](O)COc2cccc(Cl)c2Cl)ccc1C#N ZINC000440798878 567644451 /nfs/dbraw/zinc/64/44/51/567644451.db2.gz AACFRGRQCGUWFR-AWEZNQCLSA-N 0 3 381.259 3.403 20 30 GGEDHN N#Cc1csc(CNC[C@@H](CO)Cc2cc(F)cc(Br)c2)c1 ZINC000459702925 567651614 /nfs/dbraw/zinc/65/16/14/567651614.db2.gz OMLSQPOOMXFKCH-ZDUSSCGKSA-N 0 3 383.286 3.462 20 30 GGEDHN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1cccc(C#N)c1 ZINC000507221765 567668367 /nfs/dbraw/zinc/66/83/67/567668367.db2.gz OAODANGFUVEXHX-GFCCVEGCSA-N 0 3 398.315 3.494 20 30 GGEDHN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000507243331 567669527 /nfs/dbraw/zinc/66/95/27/567669527.db2.gz LPIMLDISHHCHDJ-GFCCVEGCSA-N 0 3 398.315 3.494 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2cncn2C)cc1OCC ZINC000623086931 567684244 /nfs/dbraw/zinc/68/42/44/567684244.db2.gz SHUBHPTXGPLDJB-UHFFFAOYSA-N 0 3 394.313 3.478 20 30 GGEDHN C=CCOc1c(Br)cc(CN[C@H]2C[C@H](C(=O)OC)C2)cc1OC ZINC000597243424 567690966 /nfs/dbraw/zinc/69/09/66/567690966.db2.gz IZHLXCJKLJJPLK-JOCQHMNTSA-N 0 3 384.270 3.064 20 30 GGEDHN CC(C)(CN[C@H]1CC[C@@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771619 567708041 /nfs/dbraw/zinc/70/80/41/567708041.db2.gz UHOVTOGJZWHKJQ-OCCSQVGLSA-N 0 3 385.327 3.283 20 30 GGEDHN CC(C)(CN[C@H]1CC[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000442771616 567708586 /nfs/dbraw/zinc/70/85/86/567708586.db2.gz UHOVTOGJZWHKJQ-JSGCOSHPSA-N 0 3 385.327 3.283 20 30 GGEDHN C[C@@H]1C[C@@H](C)C[NH+](CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000443094210 567731030 /nfs/dbraw/zinc/73/10/30/567731030.db2.gz CIVXZSSCMDKSIL-HUUCEWRRSA-N 0 3 383.945 3.248 20 30 GGEDHN C[N@H+](CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000443098217 567731168 /nfs/dbraw/zinc/73/11/68/567731168.db2.gz XAUWCDJVKNSDPY-UHFFFAOYSA-N 0 3 377.897 3.012 20 30 GGEDHN C[N@@H+](CCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)Cc1ccccc1 ZINC000443098217 567731172 /nfs/dbraw/zinc/73/11/72/567731172.db2.gz XAUWCDJVKNSDPY-UHFFFAOYSA-N 0 3 377.897 3.012 20 30 GGEDHN CC(C)(CNCc1cnc2c(C#N)cnn2c1)c1ccccc1Br ZINC000573724209 567732804 /nfs/dbraw/zinc/73/28/04/567732804.db2.gz WKWBPMSEJPLEQT-UHFFFAOYSA-N 0 3 384.281 3.431 20 30 GGEDHN CC(C)(C#N)C[C@H](O)CN[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723473 567785575 /nfs/dbraw/zinc/78/55/75/567785575.db2.gz IGAGCXLKPNKNRM-ZFWWWQNUSA-N 0 3 384.307 3.379 20 30 GGEDHN CC(C)(C#N)C[C@@H](O)CNCc1ccc(I)c(Cl)c1 ZINC000598724495 567785584 /nfs/dbraw/zinc/78/55/84/567785584.db2.gz OUJKNDNDRSXTHL-LLVKDONJSA-N 0 3 392.668 3.335 20 30 GGEDHN CC(C)(C#N)C[C@@H](O)CNCc1cc(Br)ccc1OC(F)F ZINC000598719455 567785612 /nfs/dbraw/zinc/78/56/12/567785612.db2.gz IKSUECHTTSTPGW-GFCCVEGCSA-N 0 3 377.229 3.441 20 30 GGEDHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O ZINC000598723472 567785621 /nfs/dbraw/zinc/78/56/21/567785621.db2.gz IGAGCXLKPNKNRM-UKRRQHHQSA-N 0 3 384.307 3.379 20 30 GGEDHN CC(C)(C#N)C[C@H](O)CNCc1cc(Br)ccc1OC(F)F ZINC000598719458 567786108 /nfs/dbraw/zinc/78/61/08/567786108.db2.gz IKSUECHTTSTPGW-LBPRGKRZSA-N 0 3 377.229 3.441 20 30 GGEDHN C=CCCn1cc(CN(CCN(C)C)Cc2ccc(Br)cc2)nn1 ZINC000668159465 567799560 /nfs/dbraw/zinc/79/95/60/567799560.db2.gz XCISFFUBEPSSLG-UHFFFAOYSA-N 0 3 392.345 3.181 20 30 GGEDHN Cc1c(O)ccc2c(CN3CCCN(c4ccccc4C#N)CC3)cc(=O)oc12 ZINC000048375126 570249205 /nfs/dbraw/zinc/24/92/05/570249205.db2.gz KGWYFECYXJPEIW-UHFFFAOYSA-N 0 3 389.455 3.391 20 30 GGEDHN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)C(C#N)c2nnc3n2CCCCC3)c1 ZINC000248756342 570295995 /nfs/dbraw/zinc/29/59/95/570295995.db2.gz JUWCXBLNQDROQH-COXVUDFISA-N 0 3 377.448 3.089 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccncc1 ZINC000023104403 570343891 /nfs/dbraw/zinc/34/38/91/570343891.db2.gz YLGMGBWARMPAET-ZDUSSCGKSA-N 0 3 384.490 3.094 20 30 GGEDHN C#CC[C@]1(C(=O)NCc2cccc(CN(C)C)c2)CCCN1C(=O)OC(C)(C)C ZINC000225471828 570456102 /nfs/dbraw/zinc/45/61/02/570456102.db2.gz LZCMOIVXBNDODP-HSZRJFAPSA-N 0 3 399.535 3.157 20 30 GGEDHN N#Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)cc1Cl ZINC000022933163 570629929 /nfs/dbraw/zinc/62/99/29/570629929.db2.gz SDCVIJFDBGRYRU-UHFFFAOYSA-N 0 3 382.895 3.358 20 30 GGEDHN C=C1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nnn[n-]2)CC[C@@H](C)C3)CC1 ZINC000735403376 598504320 /nfs/dbraw/zinc/50/43/20/598504320.db2.gz VEDDMZIFEJQULU-CYBMUJFWSA-N 0 3 386.525 3.034 20 30 GGEDHN COc1ccc(CN2CCC(C[NH2+][C@H](C(=O)[O-])c3ccc(C#N)cc3)CC2)cc1 ZINC000738004999 600596669 /nfs/dbraw/zinc/59/66/69/600596669.db2.gz YXZDAYHIDBSPKX-QFIPXVFZSA-N 0 3 393.487 3.194 20 30 GGEDHN C=CCC[C@H]([NH2+]CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823894032 608537256 /nfs/dbraw/zinc/53/72/56/608537256.db2.gz FPMCLRZWJHQJOD-IBGZPJMESA-N 0 3 376.464 3.492 20 30 GGEDHN CN(Cc1ccccc1N1CCCC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000053419982 1406390064 /nfs/dbraw/zinc/39/00/64/1406390064.db2.gz PRCHEDUZUPSHSD-NRFANRHFSA-N 0 3 379.504 3.225 20 30 GGEDHN CN(Cc1ccccc1N1CCCC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000053419983 1406390447 /nfs/dbraw/zinc/39/04/47/1406390447.db2.gz PRCHEDUZUPSHSD-OAQYLSRUSA-N 0 3 379.504 3.225 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054223813 1406657071 /nfs/dbraw/zinc/65/70/71/1406657071.db2.gz XILCRSYGSBHVFX-GHTZIAJQSA-N 0 3 393.535 3.298 20 30 GGEDHN Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCN(CC(C)C)CC2)c1C#N ZINC000054610299 1406783898 /nfs/dbraw/zinc/78/38/98/1406783898.db2.gz KKAHRYDFAQLMMD-UHFFFAOYSA-N 0 3 385.556 3.304 20 30 GGEDHN Cc1noc([C@H]2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)n1 ZINC000054677218 1406803347 /nfs/dbraw/zinc/80/33/47/1406803347.db2.gz QNAPJNUEHONEJY-AWEZNQCLSA-N 0 3 399.520 3.398 20 30 GGEDHN COc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1C ZINC000054782729 1406823771 /nfs/dbraw/zinc/82/37/71/1406823771.db2.gz YZVOAQOAIJRWLL-UHFFFAOYSA-N 0 3 380.492 3.149 20 30 GGEDHN N#CCCN(C(=O)CN1CCCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000054992851 1406866877 /nfs/dbraw/zinc/86/68/77/1406866877.db2.gz NUMRLNKADJVYDK-UHFFFAOYSA-N 0 3 376.504 3.141 20 30 GGEDHN COCCn1c2ccccc2nc1SCC(=O)C(C#N)c1nc(C)cs1 ZINC000020052237 1399341521 /nfs/dbraw/zinc/34/15/21/1399341521.db2.gz SRPXYTLYAZSEHE-ZDUSSCGKSA-N 0 3 386.502 3.416 20 30 GGEDHN COc1cc(CN(C)C[C@H](O)COc2ccc(C#N)cc2)ccc1OC(F)F ZINC000023408731 1399557358 /nfs/dbraw/zinc/55/73/58/1399557358.db2.gz NAAVRHNPGAXHIK-INIZCTEOSA-N 0 3 392.402 3.040 20 30 GGEDHN COCCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000026448287 1399890822 /nfs/dbraw/zinc/89/08/22/1399890822.db2.gz YTTWRCCAWUDQMQ-UHFFFAOYSA-N 0 3 382.426 3.064 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000028264402 1400144521 /nfs/dbraw/zinc/14/45/21/1400144521.db2.gz OWJNQIKRDDFDPX-OAQYLSRUSA-N 0 3 399.922 3.159 20 30 GGEDHN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000028918232 1400210858 /nfs/dbraw/zinc/21/08/58/1400210858.db2.gz YESOIINQNHGYMW-INIZCTEOSA-N 0 3 380.366 3.329 20 30 GGEDHN CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000028918230 1400210916 /nfs/dbraw/zinc/21/09/16/1400210916.db2.gz YESOIINQNHGYMW-MRXNPFEDSA-N 0 3 380.366 3.329 20 30 GGEDHN C=CCOc1ccccc1C(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000029163685 1400252257 /nfs/dbraw/zinc/25/22/57/1400252257.db2.gz JNCLYJIHFOGULX-UHFFFAOYSA-N 0 3 393.531 3.189 20 30 GGEDHN N#CCOc1ccc(/C=C/C(=O)N2CCCN(Cc3ccccc3)CC2)cc1 ZINC000029781362 1400351637 /nfs/dbraw/zinc/35/16/37/1400351637.db2.gz ZVNBRUUDGXPFMQ-FMIVXFBMSA-N 0 3 375.472 3.337 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nc2ccccc2o1 ZINC000044566106 1403951276 /nfs/dbraw/zinc/95/12/76/1403951276.db2.gz LMARSGPNEPLFMZ-UHFFFAOYSA-N 0 3 394.500 3.382 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000044566159 1403951403 /nfs/dbraw/zinc/95/14/03/1403951403.db2.gz HNIUOHPZSJWCRT-UHFFFAOYSA-N 0 3 386.499 3.482 20 30 GGEDHN Cc1nc(C(F)(F)F)ccc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000044566458 1403952513 /nfs/dbraw/zinc/95/25/13/1403952513.db2.gz VOLGDJIHGQKBGJ-UHFFFAOYSA-N 0 3 390.409 3.485 20 30 GGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000045004544 1404035321 /nfs/dbraw/zinc/03/53/21/1404035321.db2.gz PNLZIWTZLGGXFU-AZUAARDMSA-N 0 3 382.460 3.152 20 30 GGEDHN CO[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000045577761 1404150885 /nfs/dbraw/zinc/15/08/85/1404150885.db2.gz ZAPRBWPUZGIFPZ-OAQYLSRUSA-N 0 3 380.492 3.019 20 30 GGEDHN CCN(CC)S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440654 1404416814 /nfs/dbraw/zinc/41/68/14/1404416814.db2.gz IMNXULLTCKAMAX-MRXNPFEDSA-N 0 3 396.472 3.083 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000046796115 1404592305 /nfs/dbraw/zinc/59/23/05/1404592305.db2.gz ONWPXHJMJAVCBP-FQEVSTJZSA-N 0 3 393.487 3.117 20 30 GGEDHN CC(C)Oc1ncccc1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000046825820 1404604374 /nfs/dbraw/zinc/60/43/74/1404604374.db2.gz DMPUUHHOJXXRMV-UHFFFAOYSA-N 0 3 395.507 3.014 20 30 GGEDHN Cc1nn(C)c2sc(C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)cc12 ZINC000047011367 1404673424 /nfs/dbraw/zinc/67/34/24/1404673424.db2.gz HNJLLQFXAMAZIX-UHFFFAOYSA-N 0 3 381.505 3.019 20 30 GGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000047052203 1404689068 /nfs/dbraw/zinc/68/90/68/1404689068.db2.gz KPJSKFWHOLEAJL-KRWDZBQOSA-N 0 3 375.476 3.264 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000047287128 1404788624 /nfs/dbraw/zinc/78/86/24/1404788624.db2.gz ITCCSEPILJFLLJ-UHFFFAOYSA-N 0 3 390.487 3.111 20 30 GGEDHN N#Cc1cccc(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC000047338239 1404810996 /nfs/dbraw/zinc/81/09/96/1404810996.db2.gz KQXKITUIMHICAU-UHFFFAOYSA-N 0 3 391.519 3.278 20 30 GGEDHN N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000047960256 1405010422 /nfs/dbraw/zinc/01/04/22/1405010422.db2.gz QKYRSJFXMSCUOQ-NRFANRHFSA-N 0 3 394.544 3.365 20 30 GGEDHN N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCN3CCCCC3)c2)c1 ZINC000048126133 1405066078 /nfs/dbraw/zinc/06/60/78/1405066078.db2.gz ZTCMNJDMCXZHFU-UHFFFAOYSA-N 0 3 391.475 3.418 20 30 GGEDHN CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000048787839 1405291778 /nfs/dbraw/zinc/29/17/78/1405291778.db2.gz BUYDLGHILIRYDM-HZPDHXFCSA-N 0 3 388.468 3.435 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000048852429 1405307652 /nfs/dbraw/zinc/30/76/52/1405307652.db2.gz GLWZLLIXNBJTNV-LJQANCHMSA-N 0 3 398.894 3.349 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000049226180 1405353888 /nfs/dbraw/zinc/35/38/88/1405353888.db2.gz LSUUXSFZQTZEMC-IEBWSBKVSA-N 0 3 398.507 3.336 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000049226176 1405354124 /nfs/dbraw/zinc/35/41/24/1405354124.db2.gz LSUUXSFZQTZEMC-MJGOQNOKSA-N 0 3 398.507 3.336 20 30 GGEDHN N#CC(C(=O)CCCc1nnc(-c2ccccc2)o1)C(=O)NCc1ccccc1 ZINC000049492501 1405379970 /nfs/dbraw/zinc/37/99/70/1405379970.db2.gz GOZGPKFUNXCXDM-GOSISDBHSA-N 0 3 388.427 3.085 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccccc2COCc2ccccc2)CC1 ZINC000050031149 1405457434 /nfs/dbraw/zinc/45/74/34/1405457434.db2.gz PFDSLUFNHFBHCE-UHFFFAOYSA-N 0 3 376.500 3.365 20 30 GGEDHN COc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000050090497 1405478100 /nfs/dbraw/zinc/47/81/00/1405478100.db2.gz KHOPIWPXXNJXIU-UHFFFAOYSA-N 0 3 388.418 3.441 20 30 GGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000050679916 1405622631 /nfs/dbraw/zinc/62/26/31/1405622631.db2.gz GXYOGYVPOTUPRN-VQIMIIECSA-N 0 3 396.491 3.088 20 30 GGEDHN Cc1ccc(C(=O)N2CCC[C@H](C(=O)C(C#N)C(=O)NC3CCCCC3)C2)cc1 ZINC000050683582 1405623936 /nfs/dbraw/zinc/62/39/36/1405623936.db2.gz AXKQZHHMXJBADV-ICSRJNTNSA-N 0 3 395.503 3.005 20 30 GGEDHN Cc1ccc(C(=O)NC2CCN(CCC(=O)Nc3ccccc3C#N)CC2)s1 ZINC000051098486 1405724147 /nfs/dbraw/zinc/72/41/47/1405724147.db2.gz BNJHJZMASKPCIK-UHFFFAOYSA-N 0 3 396.516 3.151 20 30 GGEDHN Cc1ccc(CN2CCCN(C(=O)CN(C)Cc3ccc(C#N)cc3)CC2)cc1 ZINC000051401124 1405804724 /nfs/dbraw/zinc/80/47/24/1405804724.db2.gz VYNLGNDXSMUOKY-UHFFFAOYSA-N 0 3 390.531 3.033 20 30 GGEDHN Cc1ccc(OC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1C ZINC000051403994 1405805649 /nfs/dbraw/zinc/80/56/49/1405805649.db2.gz QYOBBXJSONPZLZ-FQEVSTJZSA-N 0 3 380.488 3.458 20 30 GGEDHN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000051653939 1405845411 /nfs/dbraw/zinc/84/54/11/1405845411.db2.gz GVBRGSJUYFUUIS-IBGZPJMESA-N 0 3 398.894 3.453 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CCCC1 ZINC000051651824 1405845525 /nfs/dbraw/zinc/84/55/25/1405845525.db2.gz BFDILCJWAYSRJH-HNNXBMFYSA-N 0 3 386.839 3.090 20 30 GGEDHN Cc1noc(C)c1COc1ccc(CC(=O)C(C#N)C(=O)NC2CCCC2)cc1 ZINC000051652748 1405845553 /nfs/dbraw/zinc/84/55/53/1405845553.db2.gz ZQMHGSHZURQOGF-IBGZPJMESA-N 0 3 395.459 3.181 20 30 GGEDHN COc1ccccc1NC(=O)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000052641883 1406102330 /nfs/dbraw/zinc/10/23/30/1406102330.db2.gz YRKWKUVIOWZERZ-UHFFFAOYSA-N 0 3 379.460 3.296 20 30 GGEDHN CC(C)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000052660751 1406110791 /nfs/dbraw/zinc/11/07/91/1406110791.db2.gz SNGIGPWZOWNATF-INIZCTEOSA-N 0 3 388.581 3.489 20 30 GGEDHN N#Cc1ccccc1OCCN1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000052830024 1406190825 /nfs/dbraw/zinc/19/08/25/1406190825.db2.gz WGUTYEDNFRSHQJ-INIZCTEOSA-N 0 3 384.867 3.336 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1noc(C(C)C)n1 ZINC000052890758 1406216980 /nfs/dbraw/zinc/21/69/80/1406216980.db2.gz VLRFGBJSQWAXJZ-UHFFFAOYSA-N 0 3 376.530 3.291 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(CN(C)C(=O)OC(C)(C)C)c2)CC1 ZINC000057170533 1407542632 /nfs/dbraw/zinc/54/26/32/1407542632.db2.gz UVQYQCDANBFBAM-UHFFFAOYSA-N 0 3 385.508 3.337 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(CC(=O)N(C)c3ccccc3)cc2)CC1 ZINC000057177578 1407547122 /nfs/dbraw/zinc/54/71/22/1407547122.db2.gz SDGBAKCIXQEBIC-UHFFFAOYSA-N 0 3 389.499 3.176 20 30 GGEDHN Cc1ccccc1OCCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000057209651 1407556313 /nfs/dbraw/zinc/55/63/13/1407556313.db2.gz COCOLUMBZXNAAB-UHFFFAOYSA-N 0 3 380.492 3.019 20 30 GGEDHN CC(C)n1nnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000058291012 1407807783 /nfs/dbraw/zinc/80/77/83/1407807783.db2.gz VMQLVVVFSVXFCM-ZDUSSCGKSA-N 0 3 384.490 3.346 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000058397689 1407822944 /nfs/dbraw/zinc/82/29/44/1407822944.db2.gz CFDJIOOVMDFEIH-ISKFKSNPSA-N 0 3 394.515 3.462 20 30 GGEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000058580508 1407847383 /nfs/dbraw/zinc/84/73/83/1407847383.db2.gz ZMTLAVUSKSFMAR-IBGZPJMESA-N 0 3 385.895 3.164 20 30 GGEDHN Cc1ccc(C)c(OC[C@H](O)CN2CCCN(c3ccccc3C#N)CC2)c1C ZINC000058580520 1407847512 /nfs/dbraw/zinc/84/75/12/1407847512.db2.gz UOELBRMBSTYHKO-JOCHJYFZSA-N 0 3 393.531 3.436 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000058580504 1407847580 /nfs/dbraw/zinc/84/75/80/1407847580.db2.gz IBLKNCZCOIWHEU-JOCHJYFZSA-N 0 3 391.515 3.239 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000060578912 1408005080 /nfs/dbraw/zinc/00/50/80/1408005080.db2.gz KCBZQMPKZXSGMV-UHFFFAOYSA-N 0 3 399.535 3.450 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccs2)on1 ZINC000060575940 1408005586 /nfs/dbraw/zinc/00/55/86/1408005586.db2.gz ZQBZFAQDZQIFMO-UHFFFAOYSA-N 0 3 380.473 3.479 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)N(C)Cc3ccc(C#N)cc3)cc2)CC1 ZINC000061139498 1408081654 /nfs/dbraw/zinc/08/16/54/1408081654.db2.gz ACGFVEIDAYZRIW-UHFFFAOYSA-N 0 3 376.504 3.361 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/[C@@H](C)c2cccc(S(N)(=O)=O)c2)c([O-])c1 ZINC000061242177 1408096255 /nfs/dbraw/zinc/09/62/55/1408096255.db2.gz DDVIFEQISIUMMX-HADWXUJASA-N 0 3 375.494 3.066 20 30 GGEDHN N#Cc1ccc(NCC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000061637081 1408156823 /nfs/dbraw/zinc/15/68/23/1408156823.db2.gz PWRBCNOJGNYEOX-UHFFFAOYSA-N 0 3 380.517 3.200 20 30 GGEDHN C=C(Br)CNC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000061791632 1408177057 /nfs/dbraw/zinc/17/70/57/1408177057.db2.gz IUBJRFYENGJVEI-UHFFFAOYSA-N 0 3 384.343 3.308 20 30 GGEDHN N#Cc1cccc(CNC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000061793503 1408178303 /nfs/dbraw/zinc/17/83/03/1408178303.db2.gz APDLRRNOIQYFKR-UHFFFAOYSA-N 0 3 380.517 3.471 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1)C(C)C ZINC000062205174 1408218068 /nfs/dbraw/zinc/21/80/68/1408218068.db2.gz WNAOTQPGNHWBSY-GOSISDBHSA-N 0 3 377.916 3.402 20 30 GGEDHN CC(=O)c1cccc(O[C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000063245094 1408322391 /nfs/dbraw/zinc/32/23/91/1408322391.db2.gz QXKNBLRAWRSWKJ-GOSISDBHSA-N 0 3 393.487 3.119 20 30 GGEDHN COCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C#N)cc1 ZINC000063754567 1408403516 /nfs/dbraw/zinc/40/35/16/1408403516.db2.gz RVGHOIFGKGUIQW-UHFFFAOYSA-N 0 3 396.447 3.252 20 30 GGEDHN N#CCSc1ccccc1NC(=O)CN1CCN(CC2CCCCC2)CC1 ZINC000064129795 1408491599 /nfs/dbraw/zinc/49/15/99/1408491599.db2.gz PXQCFIFUOVFSMB-UHFFFAOYSA-N 0 3 386.565 3.439 20 30 GGEDHN COc1ccc(CNCCNC(=O)c2ccccc2F)cc1OCCCC#N ZINC000064614239 1408586085 /nfs/dbraw/zinc/58/60/85/1408586085.db2.gz SIPQPBDALASVNQ-UHFFFAOYSA-N 0 3 385.439 3.036 20 30 GGEDHN Cc1ccc(C)c(OC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000064631707 1408588503 /nfs/dbraw/zinc/58/85/03/1408588503.db2.gz JSFITBQSMCXIDC-FQEVSTJZSA-N 0 3 380.488 3.458 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000176500263 1428341518 /nfs/dbraw/zinc/34/15/18/1428341518.db2.gz RNGKLVHULGDQEA-HXUWFJFHSA-N 0 3 383.492 3.175 20 30 GGEDHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1OC ZINC000065930127 1408755844 /nfs/dbraw/zinc/75/58/44/1408755844.db2.gz HQCMJESIGQLRKD-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN CC(C)Oc1cccc(CC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000066022934 1408775155 /nfs/dbraw/zinc/77/51/55/1408775155.db2.gz FVPADCAPOUMBNJ-UHFFFAOYSA-N 0 3 379.504 3.478 20 30 GGEDHN Cc1csc(CCCCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000066204759 1408790600 /nfs/dbraw/zinc/79/06/00/1408790600.db2.gz FELRHZPBZAWQTN-UHFFFAOYSA-N 0 3 399.564 3.419 20 30 GGEDHN Cc1ccc(C)c(OC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)c1 ZINC000066437285 1408838190 /nfs/dbraw/zinc/83/81/90/1408838190.db2.gz JSFITBQSMCXIDC-HXUWFJFHSA-N 0 3 380.488 3.458 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)CC1 ZINC000066440260 1408838877 /nfs/dbraw/zinc/83/88/77/1408838877.db2.gz XBQHIMJTEQDAKB-UHFFFAOYSA-N 0 3 390.483 3.005 20 30 GGEDHN N#Cc1ccccc1NC(=O)CCN1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899384 1408945556 /nfs/dbraw/zinc/94/55/56/1408945556.db2.gz ZLCWTCWQUQKJNM-IBGZPJMESA-N 0 3 377.444 3.495 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000067231150 1409048744 /nfs/dbraw/zinc/04/87/44/1409048744.db2.gz IFJRTUGYKJXTLD-GHTZIAJQSA-N 0 3 394.471 3.101 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000067232547 1409049476 /nfs/dbraw/zinc/04/94/76/1409049476.db2.gz HNSFLXFAAMJZFA-KRWDZBQOSA-N 0 3 376.884 3.182 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)CC1 ZINC000067237650 1409050568 /nfs/dbraw/zinc/05/05/68/1409050568.db2.gz LLJDMWDALSYXON-KRWDZBQOSA-N 0 3 381.520 3.151 20 30 GGEDHN N#Cc1nc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)ccc1Cl ZINC000067370660 1409089575 /nfs/dbraw/zinc/08/95/75/1409089575.db2.gz WFDJCKDSXSCXJS-KRWDZBQOSA-N 0 3 396.926 3.040 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccc2ccc(C)nc21)C(C)C ZINC000067524686 1409144582 /nfs/dbraw/zinc/14/45/82/1409144582.db2.gz PXSDZOSPVRZXKP-HXUWFJFHSA-N 0 3 394.519 3.297 20 30 GGEDHN CN(CCC#N)c1ccc(CNCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 ZINC000067976289 1409267460 /nfs/dbraw/zinc/26/74/60/1409267460.db2.gz ZNNRHYBRTMCFNQ-JOCHJYFZSA-N 0 3 392.503 3.444 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000068115200 1409306897 /nfs/dbraw/zinc/30/68/97/1409306897.db2.gz TVDQADDJWBHVKP-UHFFFAOYSA-N 0 3 386.455 3.094 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000068115653 1409306945 /nfs/dbraw/zinc/30/69/45/1409306945.db2.gz USWLYPSFFCTEAQ-UHFFFAOYSA-N 0 3 393.462 3.039 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000068115199 1409306978 /nfs/dbraw/zinc/30/69/78/1409306978.db2.gz GGGSEFSJQULPPD-UHFFFAOYSA-N 0 3 379.435 3.362 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000068115328 1409307001 /nfs/dbraw/zinc/30/70/01/1409307001.db2.gz MQNAFZLEDAPVRH-UHFFFAOYSA-N 0 3 389.499 3.209 20 30 GGEDHN Cc1nc(C(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)ccc1C#N ZINC000068291764 1409354458 /nfs/dbraw/zinc/35/44/58/1409354458.db2.gz NXTODEADZJPCPO-UHFFFAOYSA-N 0 3 390.409 3.485 20 30 GGEDHN COc1cccc(CO[C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 ZINC000068310225 1409360846 /nfs/dbraw/zinc/36/08/46/1409360846.db2.gz HIDXMVABGMHAMU-GOSISDBHSA-N 0 3 395.503 3.062 20 30 GGEDHN COc1ccc(SCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000068310586 1409360931 /nfs/dbraw/zinc/36/09/31/1409360931.db2.gz QUZCGHMWEKBOLA-UHFFFAOYSA-N 0 3 383.517 3.249 20 30 GGEDHN Cn1c(CO)cnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000176696318 1428414183 /nfs/dbraw/zinc/41/41/83/1428414183.db2.gz WRXVOPFSOHODGV-AWEZNQCLSA-N 0 3 384.486 3.004 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000069607006 1409660945 /nfs/dbraw/zinc/66/09/45/1409660945.db2.gz CTOJWGZMHYQBHU-JOCHJYFZSA-N 0 3 391.519 3.367 20 30 GGEDHN N#CCOc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)cc1 ZINC000069722150 1409683056 /nfs/dbraw/zinc/68/30/56/1409683056.db2.gz LLMQBSFWBGDYTG-NRFANRHFSA-N 0 3 378.476 3.225 20 30 GGEDHN CCOc1ccccc1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000069828030 1409711126 /nfs/dbraw/zinc/71/11/26/1409711126.db2.gz KCIVEKANZRQCKM-UHFFFAOYSA-N 0 3 394.519 3.273 20 30 GGEDHN C=CCN(CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1)CC1CCCCC1 ZINC000069859889 1409716566 /nfs/dbraw/zinc/71/65/66/1409716566.db2.gz QOIRACOHEVWFIE-UHFFFAOYSA-N 0 3 377.573 3.160 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(COCCOCC)c2C)CC1 ZINC000072597845 1409851528 /nfs/dbraw/zinc/85/15/28/1409851528.db2.gz FOBDDDJQVYACJG-UHFFFAOYSA-N 0 3 375.513 3.320 20 30 GGEDHN C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000072895704 1409855077 /nfs/dbraw/zinc/85/50/77/1409855077.db2.gz MZPPXYARLVFXKH-OALUTQOASA-N 0 3 376.504 3.482 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000074621085 1409873921 /nfs/dbraw/zinc/87/39/21/1409873921.db2.gz COMJTBSWUIZONI-JTHBVZDNSA-N 0 3 376.504 3.362 20 30 GGEDHN N#CCCN(Cc1ccccn1)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000078419232 1409917209 /nfs/dbraw/zinc/91/72/09/1409917209.db2.gz GPAFTUKOGANBIJ-IBGZPJMESA-N 0 3 380.467 3.375 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 ZINC000080119870 1410001004 /nfs/dbraw/zinc/00/10/04/1410001004.db2.gz BOUABIOJKATXCC-GOSISDBHSA-N 0 3 376.932 3.258 20 30 GGEDHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000081484951 1410020029 /nfs/dbraw/zinc/02/00/29/1410020029.db2.gz ORBFJDAVBCITJA-IBGZPJMESA-N 0 3 376.504 3.256 20 30 GGEDHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000081533750 1410021325 /nfs/dbraw/zinc/02/13/25/1410021325.db2.gz CJNBFLYEFAPPEJ-JOCHJYFZSA-N 0 3 376.504 3.140 20 30 GGEDHN Cc1cc(N(CCC#N)C(=O)CN(C)C2CCC(CO)CC2)ccc1Cl ZINC000089924121 1410058712 /nfs/dbraw/zinc/05/87/12/1410058712.db2.gz GDUVWNPYVRFXCB-UHFFFAOYSA-N 0 3 377.916 3.378 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091864204 1410087515 /nfs/dbraw/zinc/08/75/15/1410087515.db2.gz BRBWMDCERIZKRB-IBGZPJMESA-N 0 3 384.451 3.118 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CN2CCC(OCc3ccccc3F)CC2)cc1 ZINC000091868051 1410088192 /nfs/dbraw/zinc/08/81/92/1410088192.db2.gz ZWLRRVIQKXIXJA-HXUWFJFHSA-N 0 3 398.478 3.313 20 30 GGEDHN COc1ccc(CN2CCC(C(=O)N(C)C(C)C)CC2)cc1OCCCC#N ZINC000091952792 1410095391 /nfs/dbraw/zinc/09/53/91/1410095391.db2.gz KUNGRPZTLSHWHU-UHFFFAOYSA-N 0 3 387.524 3.457 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1cc(C)cc2cccnc21)C(C)C ZINC000092221785 1410123457 /nfs/dbraw/zinc/12/34/57/1410123457.db2.gz BBEJBTIQAALCRC-FQEVSTJZSA-N 0 3 394.519 3.297 20 30 GGEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1ccc(C#N)cc1C ZINC000176781885 1428458942 /nfs/dbraw/zinc/45/89/42/1428458942.db2.gz QYZAVGUIIBNULH-UHFFFAOYSA-N 0 3 391.459 3.152 20 30 GGEDHN C[C@@H](C#N)Oc1ccc(CN2CCN(CCCOCC(F)(F)F)CC2)cc1 ZINC000092505382 1410163793 /nfs/dbraw/zinc/16/37/93/1410163793.db2.gz YZYGKDIQFGGHTJ-INIZCTEOSA-N 0 3 385.430 3.064 20 30 GGEDHN N#CCCn1cc(CN2CCC(N3CCCC3=O)CC2)c(-c2ccccc2)n1 ZINC000093087687 1410221470 /nfs/dbraw/zinc/22/14/70/1410221470.db2.gz VKZPLTXTNVPDDH-UHFFFAOYSA-N 0 3 377.492 3.051 20 30 GGEDHN CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614246 1410256008 /nfs/dbraw/zinc/25/60/08/1410256008.db2.gz JQQBZWULRXVJNG-SFTDATJTSA-N 0 3 388.508 3.130 20 30 GGEDHN CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(OC)c(OCCCC#N)c1)CC2 ZINC000093614245 1410256080 /nfs/dbraw/zinc/25/60/80/1410256080.db2.gz JQQBZWULRXVJNG-LEWJYISDSA-N 0 3 388.508 3.130 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC(OCc3ccccc3F)CC2)CC1 ZINC000093797348 1410268932 /nfs/dbraw/zinc/26/89/32/1410268932.db2.gz JDIVMJRMFOYRFN-UHFFFAOYSA-N 0 3 375.488 3.167 20 30 GGEDHN COc1cc(/C=C/C(=O)N(CC(C)C)C2CCN(C)CC2)ccc1OCC#N ZINC000097041258 1410348614 /nfs/dbraw/zinc/34/86/14/1410348614.db2.gz DRUHLVXOLGVSBI-SOFGYWHQSA-N 0 3 385.508 3.190 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000097261700 1410362403 /nfs/dbraw/zinc/36/24/03/1410362403.db2.gz DANUXJVAVRAOBB-QGZVFWFLSA-N 0 3 399.454 3.166 20 30 GGEDHN N#Cc1cc(F)ccc1NC(=O)NCCCN1CCN(Cc2ccccc2)CC1 ZINC000097473178 1410370834 /nfs/dbraw/zinc/37/08/34/1410370834.db2.gz YAUJKAZVTKLAHJ-UHFFFAOYSA-N 0 3 395.482 3.027 20 30 GGEDHN N#Cc1ccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 ZINC000097577231 1410380845 /nfs/dbraw/zinc/38/08/45/1410380845.db2.gz GTNXGPYUDNDRNB-UHFFFAOYSA-N 0 3 383.879 3.485 20 30 GGEDHN CC1CCC(N(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C2CC2)CC1 ZINC000102390125 1410617590 /nfs/dbraw/zinc/61/75/90/1410617590.db2.gz HGYWEQTYLMTKIE-UHFFFAOYSA-N 0 3 380.492 3.323 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc3c(s2)CCOC3)cc1Cl ZINC000103330307 1410849574 /nfs/dbraw/zinc/84/95/74/1410849574.db2.gz YSKFAKYVFZCGJX-GFCCVEGCSA-N 0 3 390.848 3.444 20 30 GGEDHN CCC(=O)N1CCC[C@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000103639185 1410870571 /nfs/dbraw/zinc/87/05/71/1410870571.db2.gz HIMYOORFTXXIMO-XHDPSFHLSA-N 0 3 396.274 3.289 20 30 GGEDHN CCC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000103639194 1410870876 /nfs/dbraw/zinc/87/08/76/1410870876.db2.gz HIMYOORFTXXIMO-ABAIWWIYSA-N 0 3 396.274 3.289 20 30 GGEDHN Cc1c(NC(=O)C(C#N)C(=O)CCCC(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000103639553 1410870891 /nfs/dbraw/zinc/87/08/91/1410870891.db2.gz BGIATGVSHXUSEV-QGZVFWFLSA-N 0 3 396.491 3.348 20 30 GGEDHN CCOc1ccc(OC[C@@H](O)CN2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104716266 1410941202 /nfs/dbraw/zinc/94/12/02/1410941202.db2.gz CREDYEIGELARFO-IBGZPJMESA-N 0 3 396.487 3.240 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000104901854 1410993413 /nfs/dbraw/zinc/99/34/13/1410993413.db2.gz UATHVTCIAGIHAI-UHFFFAOYSA-N 0 3 378.476 3.317 20 30 GGEDHN COCCN(CCN(C)C)C(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000105016789 1411014794 /nfs/dbraw/zinc/01/47/94/1411014794.db2.gz XSHLPIHPHVGRDS-UHFFFAOYSA-N 0 3 382.464 3.392 20 30 GGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1COc2ccccc2O1 ZINC000105420710 1411065201 /nfs/dbraw/zinc/06/52/01/1411065201.db2.gz PKURXMFJAPUZBO-INIZCTEOSA-N 0 3 385.851 3.312 20 30 GGEDHN CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1COc2ccccc2O1 ZINC000105420707 1411065289 /nfs/dbraw/zinc/06/52/89/1411065289.db2.gz PKURXMFJAPUZBO-MRXNPFEDSA-N 0 3 385.851 3.312 20 30 GGEDHN C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000105427666 1411066019 /nfs/dbraw/zinc/06/60/19/1411066019.db2.gz IBYRREHKKMLPAL-KRWDZBQOSA-N 0 3 387.487 3.064 20 30 GGEDHN CN(C(=O)c1cccc(C(=O)C(C#N)C(=O)Nc2ccccn2)c1)c1ccccc1 ZINC000105759849 1411123239 /nfs/dbraw/zinc/12/32/39/1411123239.db2.gz CAJWTRVQAAZLRH-IBGZPJMESA-N 0 3 398.422 3.319 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CC1 ZINC000106035406 1411154163 /nfs/dbraw/zinc/15/41/63/1411154163.db2.gz ZGQGQRRTPUEVHD-UHFFFAOYSA-N 0 3 381.524 3.469 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1 ZINC000106036692 1411156188 /nfs/dbraw/zinc/15/61/88/1411156188.db2.gz IWFLXHIBBFGKTO-UHFFFAOYSA-N 0 3 378.520 3.440 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 ZINC000106039771 1411157432 /nfs/dbraw/zinc/15/74/32/1411157432.db2.gz HKEZFJNVYHJCGS-UHFFFAOYSA-N 0 3 387.915 3.308 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000106256559 1411184702 /nfs/dbraw/zinc/18/47/02/1411184702.db2.gz RBBQKWJAJSINGX-NRFANRHFSA-N 0 3 387.524 3.495 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000106269012 1411186857 /nfs/dbraw/zinc/18/68/57/1411186857.db2.gz UZQXBTIVGRKUFJ-UHFFFAOYSA-N 0 3 397.466 3.179 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCC(=O)Nc2cccc3ccccc32)CC1 ZINC000106275522 1411188666 /nfs/dbraw/zinc/18/86/66/1411188666.db2.gz KSLVDMIWRFVLNJ-UHFFFAOYSA-N 0 3 380.492 3.118 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1 ZINC000106276120 1411189571 /nfs/dbraw/zinc/18/95/71/1411189571.db2.gz NGCLBVDSAFIPFP-UHFFFAOYSA-N 0 3 396.988 3.269 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](C(=O)NCCCCCC)C2)CC1 ZINC000106275681 1411189955 /nfs/dbraw/zinc/18/99/55/1411189955.db2.gz IDDMSIFRGDLQPZ-IBGZPJMESA-N 0 3 392.588 3.145 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000106275822 1411190002 /nfs/dbraw/zinc/19/00/02/1411190002.db2.gz DDMBGRMDWBKDOF-UHFFFAOYSA-N 0 3 397.466 3.479 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CC(=O)OC(C)C)c2ccccc2)CC1 ZINC000106275855 1411190035 /nfs/dbraw/zinc/19/00/35/1411190035.db2.gz LJCZQGZOUGOMNZ-FQEVSTJZSA-N 0 3 387.524 3.409 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CC1 ZINC000106319838 1411194869 /nfs/dbraw/zinc/19/48/69/1411194869.db2.gz XBCWDANOPBYATE-UHFFFAOYSA-N 0 3 398.429 3.141 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 ZINC000106320226 1411194914 /nfs/dbraw/zinc/19/49/14/1411194914.db2.gz GAXPHHCEFGLOBM-UHFFFAOYSA-N 0 3 384.524 3.393 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 ZINC000106324435 1411195502 /nfs/dbraw/zinc/19/55/02/1411195502.db2.gz BHYVLDSSIOEVKX-UHFFFAOYSA-N 0 3 384.524 3.393 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 ZINC000106330109 1411195963 /nfs/dbraw/zinc/19/59/63/1411195963.db2.gz QLRMWCLXMIESNG-UHFFFAOYSA-N 0 3 379.426 3.397 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)N1CCO[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335657 1411197124 /nfs/dbraw/zinc/19/71/24/1411197124.db2.gz BLOGWMFXVYWDOS-IAGOWNOFSA-N 0 3 398.429 3.022 20 30 GGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000107376735 1411367503 /nfs/dbraw/zinc/36/75/03/1411367503.db2.gz YQDBTRPSQKRRGS-UHFFFAOYSA-N 0 3 381.480 3.336 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 ZINC000107381979 1411368297 /nfs/dbraw/zinc/36/82/97/1411368297.db2.gz CZSPXCPQWYGWQE-UHFFFAOYSA-N 0 3 389.500 3.430 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)Cc2ccccc2OC)cc1 ZINC000107409686 1411375230 /nfs/dbraw/zinc/37/52/30/1411375230.db2.gz LNUSDOLAJOEVGY-OXJNMPFZSA-N 0 3 394.471 3.298 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1csc(I)c1 ZINC000107876526 1411426077 /nfs/dbraw/zinc/42/60/77/1411426077.db2.gz HOXJFAOLLOTIKW-LLVKDONJSA-N 0 3 396.209 3.314 20 30 GGEDHN COc1cccc(C2CC(=O)C(=CNCCCN3CCC(C)CC3)C(=O)C2)c1 ZINC000108254554 1411460405 /nfs/dbraw/zinc/46/04/05/1411460405.db2.gz VDWXNDLDWQJEAE-UHFFFAOYSA-N 0 3 384.520 3.306 20 30 GGEDHN C#CCOc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000108524668 1411529330 /nfs/dbraw/zinc/52/93/30/1411529330.db2.gz RDMIALODFWEYSP-UHFFFAOYSA-N 0 3 376.460 3.166 20 30 GGEDHN C=CCNC(=O)C(C#N)C(=O)CCCSc1ccc(Br)cc1 ZINC000108624577 1411559533 /nfs/dbraw/zinc/55/95/33/1411559533.db2.gz XUQJGVXIUQAOOI-AWEZNQCLSA-N 0 3 381.295 3.332 20 30 GGEDHN Cc1ccc(-n2nc(C(=O)C(C#N)C(=O)Nc3ccccn3)c3c2CCCC3)cc1 ZINC000108624807 1411559914 /nfs/dbraw/zinc/55/99/14/1411559914.db2.gz CGZMRJAYBNZGDE-GOSISDBHSA-N 0 3 399.454 3.416 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)CC1 ZINC000108815614 1411621305 /nfs/dbraw/zinc/62/13/05/1411621305.db2.gz LGOGJJHESWHEJS-UHFFFAOYSA-N 0 3 391.878 3.139 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000108931523 1411643007 /nfs/dbraw/zinc/64/30/07/1411643007.db2.gz NFRXFZGNKMDARX-FQEVSTJZSA-N 0 3 392.503 3.198 20 30 GGEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000109034381 1411667456 /nfs/dbraw/zinc/66/74/56/1411667456.db2.gz BHIRGQZOTLIUTM-HOTGVXAUSA-N 0 3 388.537 3.010 20 30 GGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000109034383 1411667766 /nfs/dbraw/zinc/66/77/66/1411667766.db2.gz BHIRGQZOTLIUTM-JKSUJKDBSA-N 0 3 388.537 3.010 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc2ncccc2c1 ZINC000109038649 1411668664 /nfs/dbraw/zinc/66/86/64/1411668664.db2.gz HPMCEUCBKJELDE-GOSISDBHSA-N 0 3 396.410 3.085 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)CN1C1CC1 ZINC000177100047 1428587958 /nfs/dbraw/zinc/58/79/58/1428587958.db2.gz FXJOOQHVEJOPEA-OXQOHEQNSA-N 0 3 375.472 3.492 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)CN1C1CC1 ZINC000177100034 1428588013 /nfs/dbraw/zinc/58/80/13/1428588013.db2.gz FXJOOQHVEJOPEA-JXFKEZNVSA-N 0 3 375.472 3.492 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)Cc3ccc(OCC#N)cc3)c(C)c2)CC1 ZINC000110173627 1411835401 /nfs/dbraw/zinc/83/54/01/1411835401.db2.gz VXPZGMXTQLEWBY-UHFFFAOYSA-N 0 3 392.503 3.221 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)CN1C1CC1 ZINC000177138422 1428599990 /nfs/dbraw/zinc/59/99/90/1428599990.db2.gz MRPCVSNNBBDUDQ-JXFKEZNVSA-N 0 3 375.472 3.492 20 30 GGEDHN CC[C@H](CNC(=O)Cc1ccc(OCC#N)cc1)N1CCc2ccccc2C1 ZINC000110207805 1411837616 /nfs/dbraw/zinc/83/76/16/1411837616.db2.gz BKGYGSYSMRWOOB-OAQYLSRUSA-N 0 3 377.488 3.085 20 30 GGEDHN N#CCOc1ccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)cc1 ZINC000110259679 1411840933 /nfs/dbraw/zinc/84/09/33/1411840933.db2.gz CHVNAJJCMZTMME-UHFFFAOYSA-N 0 3 395.528 3.361 20 30 GGEDHN CC[C@H](C)CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000111253120 1411897871 /nfs/dbraw/zinc/89/78/71/1411897871.db2.gz LKLAMZIPSFMWHO-IRXDYDNUSA-N 0 3 386.540 3.334 20 30 GGEDHN CC[C@@H](C)CN(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000111253119 1411898015 /nfs/dbraw/zinc/89/80/15/1411898015.db2.gz LKLAMZIPSFMWHO-SJORKVTESA-N 0 3 386.540 3.334 20 30 GGEDHN C[C@H]1C[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1C1CC1 ZINC000177172418 1428612822 /nfs/dbraw/zinc/61/28/22/1428612822.db2.gz WJUOLDXOTIDXLS-JXFKEZNVSA-N 0 3 375.472 3.492 20 30 GGEDHN C[C@@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CCN1Cc1ccccc1 ZINC000177174839 1428613675 /nfs/dbraw/zinc/61/36/75/1428613675.db2.gz ZCKDZPACSWTKBA-YLJYHZDGSA-N 0 3 394.544 3.321 20 30 GGEDHN C[C@H]1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CCN1Cc1ccccc1 ZINC000177174856 1428613875 /nfs/dbraw/zinc/61/38/75/1428613875.db2.gz ZCKDZPACSWTKBA-FXAWDEMLSA-N 0 3 394.544 3.321 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCc2ccccc21 ZINC000111879721 1412042483 /nfs/dbraw/zinc/04/24/83/1412042483.db2.gz JWHDFLZLPMMSPR-OAQYLSRUSA-N 0 3 376.504 3.361 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000111911616 1412049803 /nfs/dbraw/zinc/04/98/03/1412049803.db2.gz PJGGCEIXFSTJTP-GOSISDBHSA-N 0 3 395.503 3.217 20 30 GGEDHN CC(C)CCC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000111948038 1412061200 /nfs/dbraw/zinc/06/12/00/1412061200.db2.gz VHFJBXARVAGCGK-INIZCTEOSA-N 0 3 380.473 3.410 20 30 GGEDHN CC(C)CCC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000111948035 1412061258 /nfs/dbraw/zinc/06/12/58/1412061258.db2.gz VHFJBXARVAGCGK-MRXNPFEDSA-N 0 3 380.473 3.410 20 30 GGEDHN CCOc1ccc(-n2c(C)cc(C(=O)CON=C(N)C3CCOCC3)c2C)cc1 ZINC000112087246 1412074244 /nfs/dbraw/zinc/07/42/44/1412074244.db2.gz SVGARWUFCXPMKE-UHFFFAOYSA-N 0 3 399.491 3.391 20 30 GGEDHN Cc1ccccc1-n1cc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cn1 ZINC000112170410 1412086656 /nfs/dbraw/zinc/08/66/56/1412086656.db2.gz NKTSEOFZJXFYTJ-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccccc1Br ZINC000112483712 1412154663 /nfs/dbraw/zinc/15/46/63/1412154663.db2.gz JDLUIKAIJFUTJQ-STQMWFEESA-N 0 3 381.270 3.232 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccccc1Br ZINC000112483708 1412154747 /nfs/dbraw/zinc/15/47/47/1412154747.db2.gz JDLUIKAIJFUTJQ-OLZOCXBDSA-N 0 3 381.270 3.232 20 30 GGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCC(=O)Nc1ccccc1C#N ZINC000112543923 1412165788 /nfs/dbraw/zinc/16/57/88/1412165788.db2.gz XEORFNWFJNKVDL-KRWDZBQOSA-N 0 3 386.496 3.266 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000113140842 1412268207 /nfs/dbraw/zinc/26/82/07/1412268207.db2.gz XZFDOPYOSFCUFT-AWEZNQCLSA-N 0 3 397.397 3.007 20 30 GGEDHN C#CCOc1ccc(CN[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1 ZINC000113323812 1412292423 /nfs/dbraw/zinc/29/24/23/1412292423.db2.gz ARJNPVGWWIKAHM-KRWDZBQOSA-N 0 3 378.472 3.207 20 30 GGEDHN C#CCOc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113328389 1412293392 /nfs/dbraw/zinc/29/33/92/1412293392.db2.gz RGPXHKVKHZKDKJ-OALUTQOASA-N 0 3 392.499 3.238 20 30 GGEDHN C#CCCOc1ccc(CN[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000113331678 1412294243 /nfs/dbraw/zinc/29/42/43/1412294243.db2.gz MEFZTJXYDYVREF-HSZRJFAPSA-N 0 3 376.500 3.412 20 30 GGEDHN Cn1cc(CNCc2cccc(OCC#N)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000113347316 1412294846 /nfs/dbraw/zinc/29/48/46/1412294846.db2.gz OXYUPHOTPBTWLP-UHFFFAOYSA-N 0 3 377.404 3.187 20 30 GGEDHN O=C(NCCNCc1ccc(Oc2cc(F)cc(F)c2)cc1)C1N=CC=CC1=O ZINC000113360966 1412297896 /nfs/dbraw/zinc/29/78/96/1412297896.db2.gz MVDCPFMQEOLLMS-MRCUWXFGSA-N 0 3 399.397 3.373 20 30 GGEDHN N#CCOc1cccc(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000113380490 1412301271 /nfs/dbraw/zinc/30/12/71/1412301271.db2.gz UQNNYENDKUBYDE-HXUWFJFHSA-N 0 3 378.476 3.053 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000113390209 1412303007 /nfs/dbraw/zinc/30/30/07/1412303007.db2.gz SHGVHCRUWGWYDB-CALCHBBNSA-N 0 3 394.560 3.066 20 30 GGEDHN N#CCOc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1 ZINC000113409200 1412304125 /nfs/dbraw/zinc/30/41/25/1412304125.db2.gz XZOXPIYLZVJBEC-NRFANRHFSA-N 0 3 378.476 3.225 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2nncn2c1 ZINC000113652863 1412331456 /nfs/dbraw/zinc/33/14/56/1412331456.db2.gz GYTWKMCFQANKNH-QGZVFWFLSA-N 0 3 397.394 3.483 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H](C)CC2CCCC2)cc1OC ZINC000114618091 1412478914 /nfs/dbraw/zinc/47/89/14/1412478914.db2.gz AJKTWRVSDLZFAQ-QAPCUYQASA-N 0 3 386.492 3.288 20 30 GGEDHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2cccc(OCC#N)c2)c1 ZINC000114968614 1412558379 /nfs/dbraw/zinc/55/83/79/1412558379.db2.gz ANXBAMGBBNPQBS-UHFFFAOYSA-N 0 3 380.492 3.171 20 30 GGEDHN COCCn1cnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000115381570 1412663049 /nfs/dbraw/zinc/66/30/49/1412663049.db2.gz YBOITWITYSKMGW-AWEZNQCLSA-N 0 3 399.501 3.017 20 30 GGEDHN N#Cc1ccc([C@@H](NCC2(c3ccc(Cl)cc3)CCOCC2)C(N)=O)cc1 ZINC000115598162 1412725422 /nfs/dbraw/zinc/72/54/22/1412725422.db2.gz VOYLMLNNTIZILI-LJQANCHMSA-N 0 3 383.879 3.076 20 30 GGEDHN N#Cc1ccc([C@H](NCC2(c3cccc(Cl)c3)CCOCC2)C(N)=O)cc1 ZINC000115598012 1412725451 /nfs/dbraw/zinc/72/54/51/1412725451.db2.gz LXUKJXCSBXOBMC-IBGZPJMESA-N 0 3 383.879 3.076 20 30 GGEDHN N#Cc1ccc([C@H](NCC2(c3ccc4c(c3)OCO4)CCCCC2)C(N)=O)cc1 ZINC000115598204 1412727214 /nfs/dbraw/zinc/72/72/14/1412727214.db2.gz WGSOSCKFHXZIIX-NRFANRHFSA-N 0 3 391.471 3.305 20 30 GGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(F)c1 ZINC000116593198 1412884893 /nfs/dbraw/zinc/88/48/93/1412884893.db2.gz NYZBPGJAJVSGBL-KUHUBIRLSA-N 0 3 395.434 3.369 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000117093674 1412998447 /nfs/dbraw/zinc/99/84/47/1412998447.db2.gz HLYLFXVVIXCDPV-HXUWFJFHSA-N 0 3 380.492 3.164 20 30 GGEDHN N#CCCn1ccc(NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)n1 ZINC000117718300 1413071070 /nfs/dbraw/zinc/07/10/70/1413071070.db2.gz UMJSVOGCPDQMEM-GOSISDBHSA-N 0 3 391.397 3.190 20 30 GGEDHN N#CCSc1cccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000177352316 1428702437 /nfs/dbraw/zinc/70/24/37/1428702437.db2.gz VUUXMUNHNHFIDW-UHFFFAOYSA-N 0 3 395.528 3.189 20 30 GGEDHN CC1CCN([C@H](CNC(=O)C(=O)Nc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000118093327 1413108099 /nfs/dbraw/zinc/10/80/99/1413108099.db2.gz OPJFPSDNUGMMCM-OAQYLSRUSA-N 0 3 390.487 3.086 20 30 GGEDHN CCN(C)CCNC(=O)C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000118108909 1413111092 /nfs/dbraw/zinc/11/10/92/1413111092.db2.gz OTUBAHHOAOIBIX-SFHVURJKSA-N 0 3 398.894 3.002 20 30 GGEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000118822836 1413234152 /nfs/dbraw/zinc/23/41/52/1413234152.db2.gz FZLMVUVUAZKYBA-QFIPXVFZSA-N 0 3 392.503 3.056 20 30 GGEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000118822838 1413234231 /nfs/dbraw/zinc/23/42/31/1413234231.db2.gz FZLMVUVUAZKYBA-JOCHJYFZSA-N 0 3 392.503 3.056 20 30 GGEDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)Cc1cccc(OCC#N)c1 ZINC000119091815 1413332832 /nfs/dbraw/zinc/33/28/32/1413332832.db2.gz RXFVILPDSNFNCS-UNMCSNQZSA-N 0 3 375.472 3.274 20 30 GGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)Cc1cccc(OCC#N)c1 ZINC000119091941 1413333279 /nfs/dbraw/zinc/33/32/79/1413333279.db2.gz RXFVILPDSNFNCS-IRLDBZIGSA-N 0 3 375.472 3.274 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2cccc(C)c2)cc1 ZINC000119346716 1413419246 /nfs/dbraw/zinc/41/92/46/1413419246.db2.gz KNIOZRRBHXTJFT-HXUWFJFHSA-N 0 3 380.444 3.188 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2cccc(C(C)C)c2)cc1 ZINC000119368775 1413426167 /nfs/dbraw/zinc/42/61/67/1413426167.db2.gz TVGJZCXBWRBMQA-HXUWFJFHSA-N 0 3 380.444 3.223 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cc(C#N)cs3)CC2)c1 ZINC000177415708 1428726924 /nfs/dbraw/zinc/72/69/24/1428726924.db2.gz YGCWGWNFIGEIOT-UHFFFAOYSA-N 0 3 382.533 3.260 20 30 GGEDHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc(OCCCC#N)c1 ZINC000119458866 1413454540 /nfs/dbraw/zinc/45/45/40/1413454540.db2.gz PYFYFZYEYVTERM-MRXNPFEDSA-N 0 3 387.505 3.210 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2ccc(F)cc2F)c1 ZINC000119588131 1413495359 /nfs/dbraw/zinc/49/53/59/1413495359.db2.gz XGLJASJJGDQGPO-MRXNPFEDSA-N 0 3 388.370 3.480 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1ccc(F)cc1F ZINC000119622193 1413506769 /nfs/dbraw/zinc/50/67/69/1413506769.db2.gz VDTJBYOVQTWDFR-AWEZNQCLSA-N 0 3 388.370 3.480 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1-n1cccn1 ZINC000119786539 1413568776 /nfs/dbraw/zinc/56/87/76/1413568776.db2.gz XSCSRDNKLFHPOA-UHFFFAOYSA-N 0 3 388.475 3.340 20 30 GGEDHN N#CC(C(=O)c1ccc(OCC(N)=O)cc1)c1nc2cc(Cl)ccc2s1 ZINC000119993884 1413646170 /nfs/dbraw/zinc/64/61/70/1413646170.db2.gz NEMPCZXYIRITIU-ZDUSSCGKSA-N 0 3 385.832 3.304 20 30 GGEDHN N#CCOc1cccc(CC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC000120021649 1413656350 /nfs/dbraw/zinc/65/63/50/1413656350.db2.gz NXBMKKMRZCWELS-UHFFFAOYSA-N 0 3 395.528 3.361 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@H](O)CN(Cc2ccc(C#N)s2)C(C)C)cc1 ZINC000120110560 1413692086 /nfs/dbraw/zinc/69/20/86/1413692086.db2.gz YOIOOKBVOSBUBF-QGZVFWFLSA-N 0 3 387.505 3.228 20 30 GGEDHN C#CCN1CCC(C(=O)NC[C@H](CC)Oc2ccccc2C(F)(F)F)CC1 ZINC000177464415 1428748996 /nfs/dbraw/zinc/74/89/96/1428748996.db2.gz IQDHVMBHUYNAKS-INIZCTEOSA-N 0 3 382.426 3.324 20 30 GGEDHN CC(=O)CCc1ccc(O[C@H](C)C(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000120377516 1413805300 /nfs/dbraw/zinc/80/53/00/1413805300.db2.gz GWVAECKNPQFRMG-DYESRHJHSA-N 0 3 392.455 3.001 20 30 GGEDHN CC(=O)CCc1ccc(O[C@@H](C)C(=O)C(C#N)C(=O)Nc2ccccc2)cc1 ZINC000120381046 1413806226 /nfs/dbraw/zinc/80/62/26/1413806226.db2.gz AAOIYSBMWJUXSI-JXFKEZNVSA-N 0 3 378.428 3.323 20 30 GGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000120449518 1413820352 /nfs/dbraw/zinc/82/03/52/1413820352.db2.gz LQXRIGBXARZHKF-JOCHJYFZSA-N 0 3 390.483 3.442 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2)cc1 ZINC000120464446 1413823887 /nfs/dbraw/zinc/82/38/87/1413823887.db2.gz POVNQYYMHLOVLQ-MRXNPFEDSA-N 0 3 394.818 3.495 20 30 GGEDHN CO/N=C/c1ccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000120728766 1413886629 /nfs/dbraw/zinc/88/66/29/1413886629.db2.gz BGNLHKYCLMDTEK-OEAKJJBVSA-N 0 3 381.476 3.124 20 30 GGEDHN CCc1nnc(NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)c(C#N)c1CC ZINC000121097184 1414006599 /nfs/dbraw/zinc/00/65/99/1414006599.db2.gz ZQMUMBUMIGEDPA-GOSISDBHSA-N 0 3 383.496 3.205 20 30 GGEDHN COC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000121223928 1414049186 /nfs/dbraw/zinc/04/91/86/1414049186.db2.gz UNUXDSFHJPMHMI-UHFFFAOYSA-N 0 3 398.438 3.080 20 30 GGEDHN CCc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cs1 ZINC000121353497 1414092535 /nfs/dbraw/zinc/09/25/35/1414092535.db2.gz RORQZINHNQDOHV-LBPRGKRZSA-N 0 3 377.853 3.258 20 30 GGEDHN CCc1nc(CC(=O)C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)cs1 ZINC000121353362 1414092687 /nfs/dbraw/zinc/09/26/87/1414092687.db2.gz RORQZINHNQDOHV-GFCCVEGCSA-N 0 3 377.853 3.258 20 30 GGEDHN C=C[C@H](CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)c1ccccc1 ZINC000121488140 1414146299 /nfs/dbraw/zinc/14/62/99/1414146299.db2.gz PHYDVLSEHQLEJB-MRXNPFEDSA-N 0 3 379.460 3.455 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CC1 ZINC000177551641 1428790712 /nfs/dbraw/zinc/79/07/12/1428790712.db2.gz ZUSNOHBGBRYUFR-UHFFFAOYSA-N 0 3 378.398 3.271 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2csc(-c3ccoc3)n2)cc1 ZINC000121787172 1414256749 /nfs/dbraw/zinc/25/67/49/1414256749.db2.gz YNXFLVKNANNOEP-INIZCTEOSA-N 0 3 381.413 3.302 20 30 GGEDHN CC(C)c1csc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000121805798 1414262816 /nfs/dbraw/zinc/26/28/16/1414262816.db2.gz QIAISPXERAWXCO-UHFFFAOYSA-N 0 3 385.537 3.412 20 30 GGEDHN C[C@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000121900494 1414299080 /nfs/dbraw/zinc/29/90/80/1414299080.db2.gz WNYKUMWWLVRUAO-WFASDCNBSA-N 0 3 380.473 3.409 20 30 GGEDHN COc1ccc2cc(C(=O)C(C#N)c3nnc4n3CCCCC4)c(C)nc2c1 ZINC000122073197 1414355514 /nfs/dbraw/zinc/35/55/14/1414355514.db2.gz PIUFURBMJPDXJM-KRWDZBQOSA-N 0 3 375.432 3.360 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000122207145 1414388819 /nfs/dbraw/zinc/38/88/19/1414388819.db2.gz YBGXKZSIKLTDKH-OAHLLOKOSA-N 0 3 382.464 3.397 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000122284664 1414411664 /nfs/dbraw/zinc/41/16/64/1414411664.db2.gz BNZOCDLWCLXUQO-PKOBYXMFSA-N 0 3 398.507 3.110 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)c1 ZINC000122285115 1414411687 /nfs/dbraw/zinc/41/16/87/1414411687.db2.gz BNZOCDLWCLXUQO-IEBWSBKVSA-N 0 3 398.507 3.110 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3cccc(OCC#N)c3)c2)CC1 ZINC000122294768 1414415599 /nfs/dbraw/zinc/41/55/99/1414415599.db2.gz AZYMZTKNEQJXSN-UHFFFAOYSA-N 0 3 392.503 3.301 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(C(C)C)o2)cc1Cl ZINC000177601739 1428808088 /nfs/dbraw/zinc/80/80/88/1428808088.db2.gz OBWWMYVDOKAXHZ-GFCCVEGCSA-N 0 3 390.827 3.135 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)COc3ccccc3C#N)c2)CC1 ZINC000122385253 1414441953 /nfs/dbraw/zinc/44/19/53/1414441953.db2.gz RNTALPXQLSTLEE-UHFFFAOYSA-N 0 3 378.476 3.106 20 30 GGEDHN N#Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000122493802 1414481236 /nfs/dbraw/zinc/48/12/36/1414481236.db2.gz WNAHDAPDZRJFFC-RTWAWAEBSA-N 0 3 395.528 3.233 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)Cc3ccc(OCC#N)cc3)c2)CC1 ZINC000122595076 1414511701 /nfs/dbraw/zinc/51/17/01/1414511701.db2.gz UBRPHPBFHVPJDA-UHFFFAOYSA-N 0 3 392.503 3.301 20 30 GGEDHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000122601089 1414513019 /nfs/dbraw/zinc/51/30/19/1414513019.db2.gz ZETLWMBGXKTPHH-HNNXBMFYSA-N 0 3 389.443 3.072 20 30 GGEDHN N#CC1(NC(=O)CNC2(c3ccc4c(c3)OCCO4)CCCC2)CCCCC1 ZINC000123108003 1414643636 /nfs/dbraw/zinc/64/36/36/1414643636.db2.gz KKCQZAHXGLIFKB-UHFFFAOYSA-N 0 3 383.492 3.159 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)CNc3ccc(C#N)cc3)c2)CC1 ZINC000123166162 1414658678 /nfs/dbraw/zinc/65/86/78/1414658678.db2.gz QTXMKBNHYOPKSJ-UHFFFAOYSA-N 0 3 377.492 3.139 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000123197396 1414665844 /nfs/dbraw/zinc/66/58/44/1414665844.db2.gz OFSYQRFOEJDNRE-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C2CC2)cs1 ZINC000123354877 1414704831 /nfs/dbraw/zinc/70/48/31/1414704831.db2.gz SKSKWZJSEVHNTB-UHFFFAOYSA-N 0 3 383.521 3.166 20 30 GGEDHN CC[C@@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1c(C)noc1C ZINC000123404322 1414719742 /nfs/dbraw/zinc/71/97/42/1414719742.db2.gz PJLITSFLQLQMOI-LJQANCHMSA-N 0 3 383.496 3.388 20 30 GGEDHN COc1cc(C(=O)C(C#N)c2nc(C)cs2)ccc1OCc1cnn(C)c1 ZINC000123795794 1414825829 /nfs/dbraw/zinc/82/58/29/1414825829.db2.gz MIPBJNDWYDFSKM-OAHLLOKOSA-N 0 3 382.445 3.263 20 30 GGEDHN N#Cc1cccc(OCCCN2CCC(NC(=O)NC3CCCCC3)CC2)c1 ZINC000123924193 1414850596 /nfs/dbraw/zinc/85/05/96/1414850596.db2.gz BXJHAHKFURMXGN-UHFFFAOYSA-N 0 3 384.524 3.423 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCCc1nc(C2CC2)no1 ZINC000124051750 1414876445 /nfs/dbraw/zinc/87/64/45/1414876445.db2.gz SSXUTZNFJPGJEE-CQSZACIVSA-N 0 3 382.420 3.016 20 30 GGEDHN CC(C)c1csc(C(C#N)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 ZINC000177766701 1428853717 /nfs/dbraw/zinc/85/37/17/1428853717.db2.gz FVABOWZCSKYGLT-HNNXBMFYSA-N 0 3 389.502 3.296 20 30 GGEDHN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)C(C#N)c1nc(C(C)C)cs1)C2=O ZINC000177767419 1428853772 /nfs/dbraw/zinc/85/37/72/1428853772.db2.gz QCPQQZNUVJFDJN-SWLSCSKDSA-N 0 3 381.457 3.436 20 30 GGEDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000177777668 1428856448 /nfs/dbraw/zinc/85/64/48/1428856448.db2.gz YTMGNEQIEFMUNX-MSOLQXFVSA-N 0 3 379.460 3.429 20 30 GGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1)[C@@H]1CCSC1 ZINC000124726246 1415030205 /nfs/dbraw/zinc/03/02/05/1415030205.db2.gz JCLPVJBKRNUCJT-HZPDHXFCSA-N 0 3 382.514 3.295 20 30 GGEDHN Cc1ccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)N2CCCC2)cc1 ZINC000124733430 1415031784 /nfs/dbraw/zinc/03/17/84/1415031784.db2.gz PXANFXGGOOEDLB-JOCHJYFZSA-N 0 3 377.488 3.393 20 30 GGEDHN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124808166 1415049139 /nfs/dbraw/zinc/04/91/39/1415049139.db2.gz QFEHLWHHPRREAL-VAMGGRTRSA-N 0 3 382.552 3.244 20 30 GGEDHN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124807714 1415049387 /nfs/dbraw/zinc/04/93/87/1415049387.db2.gz QFEHLWHHPRREAL-HSALFYBXSA-N 0 3 382.552 3.244 20 30 GGEDHN CCOc1ccc(-c2nc(CC(=O)C(C#N)C(=O)N3CCCC3)cs2)cc1 ZINC000124877877 1415065062 /nfs/dbraw/zinc/06/50/62/1415065062.db2.gz AZUPCRLWOGRHNU-KRWDZBQOSA-N 0 3 383.473 3.083 20 30 GGEDHN N#CC(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)N1CCCC1 ZINC000124894069 1415068189 /nfs/dbraw/zinc/06/81/89/1415068189.db2.gz ZJWZKBBAJFBNDE-OAHLLOKOSA-N 0 3 386.839 3.044 20 30 GGEDHN N#CC(C(=O)CCc1ncc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccccn1 ZINC000125190235 1415127105 /nfs/dbraw/zinc/12/71/05/1415127105.db2.gz MQFGHSZFWYLWQK-AWEZNQCLSA-N 0 3 396.353 3.295 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccn2)cnn1-c1cccc(Cl)c1 ZINC000125243760 1415139548 /nfs/dbraw/zinc/13/95/48/1415139548.db2.gz VCVZPFCRFVOMCK-OAHLLOKOSA-N 0 3 379.807 3.190 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@@H](C)O1 ZINC000125416941 1415192361 /nfs/dbraw/zinc/19/23/61/1415192361.db2.gz OHZUOBUOYZAFEC-HUUCEWRRSA-N 0 3 375.900 3.173 20 30 GGEDHN Cn1c(Cl)nc(Cl)c1CNC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000125422453 1415193591 /nfs/dbraw/zinc/19/35/91/1415193591.db2.gz FYBOZMBLDITMJQ-UHFFFAOYSA-N 0 3 380.279 3.473 20 30 GGEDHN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N(C)CCCc1[nH]nc(N)c1C#N ZINC000125487667 1415212877 /nfs/dbraw/zinc/21/28/77/1415212877.db2.gz VVKYNRPWFMMJHT-LSDHHAIUSA-N 0 3 382.512 3.269 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)Cc1csc(-c2cccs2)n1 ZINC000125517404 1415219148 /nfs/dbraw/zinc/21/91/48/1415219148.db2.gz YWVBCAYAAWKTAP-AWEZNQCLSA-N 0 3 391.518 3.054 20 30 GGEDHN CC(C)OCCCNC(=O)C(C#N)C(=O)COc1ccc(Cl)c(Cl)c1 ZINC000125527197 1415220302 /nfs/dbraw/zinc/22/03/02/1415220302.db2.gz YLMFIKFAMNRQSL-ZDUSSCGKSA-N 0 3 387.263 3.012 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)COc1cccc(Br)c1 ZINC000125570633 1415229203 /nfs/dbraw/zinc/22/92/03/1415229203.db2.gz WDZLYKMWLGUGHT-OAHLLOKOSA-N 0 3 381.270 3.233 20 30 GGEDHN COCCOc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000125583402 1415231375 /nfs/dbraw/zinc/23/13/75/1415231375.db2.gz ZOZODKODSRJVOG-UHFFFAOYSA-N 0 3 396.491 3.179 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)CC1 ZINC000125614403 1415238094 /nfs/dbraw/zinc/23/80/94/1415238094.db2.gz FXCUZLWUMNHEGX-FQEVSTJZSA-N 0 3 387.524 3.002 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccccc2F)cc1 ZINC000125717214 1415261063 /nfs/dbraw/zinc/26/10/63/1415261063.db2.gz YOCJLAQEHGXHAN-KRWDZBQOSA-N 0 3 384.407 3.019 20 30 GGEDHN CN(C(=O)Nc1ccc(F)cc1C#N)C1CCN(CCc2ccccn2)CC1 ZINC000177899355 1428886960 /nfs/dbraw/zinc/88/69/60/1428886960.db2.gz SWXWUPNOTXPFSB-UHFFFAOYSA-N 0 3 381.455 3.263 20 30 GGEDHN N#Cc1cccc(OCCCN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000125955764 1415321808 /nfs/dbraw/zinc/32/18/08/1415321808.db2.gz PPTUINSXCDURTI-IBGZPJMESA-N 0 3 382.439 3.362 20 30 GGEDHN C[C@@H](NC1CC(C#N)(c2ccccc2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000126131716 1415366385 /nfs/dbraw/zinc/36/63/85/1415366385.db2.gz LBXFEYVJZVIVKU-YLZJTPGZSA-N 0 3 383.517 3.211 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1cccc(OCC#N)c1 ZINC000126230924 1415389100 /nfs/dbraw/zinc/38/91/00/1415389100.db2.gz JXRWKWFDUXLREN-IBGZPJMESA-N 0 3 377.488 3.254 20 30 GGEDHN CC(=O)c1cccc(OCCCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000126243638 1415392680 /nfs/dbraw/zinc/39/26/80/1415392680.db2.gz BKFOBRYXFZPPGI-FQEVSTJZSA-N 0 3 378.428 3.073 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COCCc2ccccc2)cc1Cl ZINC000126269102 1415398949 /nfs/dbraw/zinc/39/89/49/1415398949.db2.gz IAGFHFDPWQEUFU-MRXNPFEDSA-N 0 3 386.835 3.255 20 30 GGEDHN Cc1ccccc1-n1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c2c1CCC2 ZINC000126313851 1415415672 /nfs/dbraw/zinc/41/56/72/1415415672.db2.gz BBOMPATYCMFNOY-INIZCTEOSA-N 0 3 385.427 3.026 20 30 GGEDHN Cc1ccccc1-n1nc(C(=O)C(C#N)C(=O)Nc2ccccn2)c2c1CCC2 ZINC000126313851 1415415680 /nfs/dbraw/zinc/41/56/80/1415415680.db2.gz BBOMPATYCMFNOY-INIZCTEOSA-N 0 3 385.427 3.026 20 30 GGEDHN C#CCNC(=O)[C@@H](C)N[C@@H](Cc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000126425056 1415449765 /nfs/dbraw/zinc/44/97/65/1415449765.db2.gz DVQUMTJBOVPUJN-XLIONFOSSA-N 0 3 380.488 3.024 20 30 GGEDHN Cc1noc(C)c1CC(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000126600631 1415504246 /nfs/dbraw/zinc/50/42/46/1415504246.db2.gz GTUYIBHLLRDUBX-AWEZNQCLSA-N 0 3 379.388 3.496 20 30 GGEDHN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000126722582 1415539715 /nfs/dbraw/zinc/53/97/15/1415539715.db2.gz XRKPJPYAPHYESD-GUYCJALGSA-N 0 3 383.429 3.101 20 30 GGEDHN N#Cc1ccc(OCCCN2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000178031066 1428945579 /nfs/dbraw/zinc/94/55/79/1428945579.db2.gz FXYSCUXUSMQHRD-UHFFFAOYSA-N 0 3 395.478 3.243 20 30 GGEDHN CN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000126808133 1415565934 /nfs/dbraw/zinc/56/59/34/1415565934.db2.gz BWIIAOWJZXXVNB-NRFANRHFSA-N 0 3 377.488 3.254 20 30 GGEDHN CN(C(=O)Cc1cccc(OCC#N)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000126807883 1415565968 /nfs/dbraw/zinc/56/59/68/1415565968.db2.gz BWIIAOWJZXXVNB-OAQYLSRUSA-N 0 3 377.488 3.254 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(NC(=O)N(C)C)ccc2Cl)CC1 ZINC000126877583 1415592602 /nfs/dbraw/zinc/59/26/02/1415592602.db2.gz KPLCESCRHHJPCH-UHFFFAOYSA-N 0 3 378.904 3.204 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@H](O)c1ccc(C#N)cc1 ZINC000126900636 1415599628 /nfs/dbraw/zinc/59/96/28/1415599628.db2.gz FNHHGUYNZNMRQB-IBGZPJMESA-N 0 3 397.548 3.190 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SC[C@@H](O)c1ccc(C#N)cc1 ZINC000126900859 1415600375 /nfs/dbraw/zinc/60/03/75/1415600375.db2.gz FNHHGUYNZNMRQB-LJQANCHMSA-N 0 3 397.548 3.190 20 30 GGEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)N(C)c1ccccc1 ZINC000126906591 1415601891 /nfs/dbraw/zinc/60/18/91/1415601891.db2.gz LEBIKUWXPZFZIY-LJQANCHMSA-N 0 3 393.535 3.156 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1nc(C2CCCC2)no1 ZINC000178052972 1428957854 /nfs/dbraw/zinc/95/78/54/1428957854.db2.gz UHSAZESTMQYGTQ-UHFFFAOYSA-N 0 3 395.507 3.122 20 30 GGEDHN COc1ccc(C(=O)CCCC(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000126980652 1415624190 /nfs/dbraw/zinc/62/41/90/1415624190.db2.gz QRMOJTMDRMIOMJ-LJQANCHMSA-N 0 3 378.428 3.073 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1cccc(OCC#N)c1 ZINC000127021272 1415640163 /nfs/dbraw/zinc/64/01/63/1415640163.db2.gz JKWYQLFWMPCPDM-LJQANCHMSA-N 0 3 392.503 3.395 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)CC1 ZINC000178068476 1428967758 /nfs/dbraw/zinc/96/77/58/1428967758.db2.gz BHBRFPSVTQCJPM-UHFFFAOYSA-N 0 3 394.475 3.350 20 30 GGEDHN N#Cc1ccc(CCC(=O)Nc2cccc(CN3CCC(CO)CC3)c2)cc1 ZINC000127060478 1415649973 /nfs/dbraw/zinc/64/99/73/1415649973.db2.gz ZRTXSISCJXYNCN-UHFFFAOYSA-N 0 3 377.488 3.334 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(F)c(Cl)c2)c1 ZINC000127167672 1415677205 /nfs/dbraw/zinc/67/72/05/1415677205.db2.gz AUPXZFBQXWQVPE-CQSZACIVSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000127177106 1415679171 /nfs/dbraw/zinc/67/91/71/1415679171.db2.gz XWASQTHJRQEIOT-SFHVURJKSA-N 0 3 394.818 3.495 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000127311813 1415731602 /nfs/dbraw/zinc/73/16/02/1415731602.db2.gz YGCWGVJDPXRNTN-UHFFFAOYSA-N 0 3 394.475 3.331 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N(Cc1ccco1)C1CCN(C)CC1 ZINC000127362092 1415752941 /nfs/dbraw/zinc/75/29/41/1415752941.db2.gz YWNMXBOQBUBAQI-UHFFFAOYSA-N 0 3 397.523 3.062 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2cccc(Br)c2)c1 ZINC000127467533 1415790459 /nfs/dbraw/zinc/79/04/59/1415790459.db2.gz RWSCQGIKCTZSTG-INIZCTEOSA-N 0 3 387.233 3.484 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)COc2cccc(Br)c2)c1 ZINC000127467752 1415791024 /nfs/dbraw/zinc/79/10/24/1415791024.db2.gz RWSCQGIKCTZSTG-MRXNPFEDSA-N 0 3 387.233 3.484 20 30 GGEDHN CC1CCN(Cc2ccccc2CNS(=O)(=O)Cc2cccc(C#N)c2)CC1 ZINC000127791795 1415851200 /nfs/dbraw/zinc/85/12/00/1415851200.db2.gz IQEUWHTYXPSOEG-UHFFFAOYSA-N 0 3 397.544 3.410 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(OCC(F)F)n1 ZINC000127872688 1415867457 /nfs/dbraw/zinc/86/74/57/1415867457.db2.gz LPZOHARCPUGTEI-SNVBAGLBSA-N 0 3 397.740 3.479 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cccc(OCC(F)F)n1 ZINC000127872958 1415867585 /nfs/dbraw/zinc/86/75/85/1415867585.db2.gz LPZOHARCPUGTEI-JTQLQIEISA-N 0 3 397.740 3.479 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000178233093 1429025642 /nfs/dbraw/zinc/02/56/42/1429025642.db2.gz YHSIZMVVMAJLBJ-ROUUACIJSA-N 0 3 393.572 3.426 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](C)COc2ccccc2OC)CC1 ZINC000128452152 1415990292 /nfs/dbraw/zinc/99/02/92/1415990292.db2.gz WGOCJDPLHWURIR-QGZVFWFLSA-N 0 3 375.513 3.050 20 30 GGEDHN Cc1cc(=O)n(CC(=O)C(C#N)c2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] ZINC000128461573 1415993011 /nfs/dbraw/zinc/99/30/11/1415993011.db2.gz CBSDVCODTWWCOW-AWEZNQCLSA-N 0 3 394.412 3.065 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000128575189 1416017326 /nfs/dbraw/zinc/01/73/26/1416017326.db2.gz XPWFLLOWMZWLCN-QZTJIDSGSA-N 0 3 397.544 3.134 20 30 GGEDHN C[C@H](NC(=O)c1cccs1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128822968 1416078308 /nfs/dbraw/zinc/07/83/08/1416078308.db2.gz YWVWSKBUXVBAFR-AAEUAGOBSA-N 0 3 382.470 3.261 20 30 GGEDHN COc1ccc(Br)c(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1 ZINC000178413604 1429072494 /nfs/dbraw/zinc/07/24/94/1429072494.db2.gz YBUMAIITWDRSQJ-OAHLLOKOSA-N 0 3 393.281 3.158 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)CC1 ZINC000178383821 1429066068 /nfs/dbraw/zinc/06/60/68/1429066068.db2.gz MBTNCBZQUIJEAW-NHCUHLMSSA-N 0 3 379.508 3.061 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000129109822 1416146991 /nfs/dbraw/zinc/14/69/91/1416146991.db2.gz WZGDPHOBLQINRQ-LEWJYISDSA-N 0 3 389.515 3.464 20 30 GGEDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000129468078 1416214107 /nfs/dbraw/zinc/21/41/07/1416214107.db2.gz KMRXQEIHQANZPY-BRWVUGGUSA-N 0 3 395.484 3.209 20 30 GGEDHN COc1cc(NC2CCN(C[C@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1 ZINC000129519523 1416222059 /nfs/dbraw/zinc/22/20/59/1416222059.db2.gz UKSQDNIMDHPKLF-QFIPXVFZSA-N 0 3 381.476 3.185 20 30 GGEDHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1ccc(C#N)cn1 ZINC000129770917 1416261371 /nfs/dbraw/zinc/26/13/71/1416261371.db2.gz ZJGIMSNPNREERC-IBGZPJMESA-N 0 3 386.459 3.158 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000129987855 1416296772 /nfs/dbraw/zinc/29/67/72/1416296772.db2.gz YIYBAPSSOFAHEA-INIZCTEOSA-N 0 3 394.818 3.495 20 30 GGEDHN CC(C)(C)C(=O)NCCCC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130189101 1416335368 /nfs/dbraw/zinc/33/53/68/1416335368.db2.gz IOLQGRFTULOWCP-LBPRGKRZSA-N 0 3 381.835 3.069 20 30 GGEDHN COc1ccc(OC)c(CC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000130215274 1416340575 /nfs/dbraw/zinc/34/05/75/1416340575.db2.gz WFIVYULLDPPWKC-AWEZNQCLSA-N 0 3 390.798 3.386 20 30 GGEDHN N#CC(C(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130233890 1416343928 /nfs/dbraw/zinc/34/39/28/1416343928.db2.gz YRHNOMUYZWWQFO-ZDUSSCGKSA-N 0 3 391.742 3.114 20 30 GGEDHN N#CC(C(=O)COCCOc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130251114 1416346617 /nfs/dbraw/zinc/34/66/17/1416346617.db2.gz QRARMPJSRHHOTC-HNNXBMFYSA-N 0 3 390.798 3.222 20 30 GGEDHN CCCc1noc(CCCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000130261223 1416348058 /nfs/dbraw/zinc/34/80/58/1416348058.db2.gz GZOXTXKNBXAZIN-GFCCVEGCSA-N 0 3 392.818 3.485 20 30 GGEDHN CCCc1noc(CCCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000130261425 1416348067 /nfs/dbraw/zinc/34/80/67/1416348067.db2.gz GZOXTXKNBXAZIN-LBPRGKRZSA-N 0 3 392.818 3.485 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000130330651 1416359582 /nfs/dbraw/zinc/35/95/82/1416359582.db2.gz LDBXZDKGJAFSEV-XPWALMASSA-N 0 3 388.515 3.360 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nc(C(C)C)no2)cc1Cl ZINC000130354334 1416363622 /nfs/dbraw/zinc/36/36/22/1416363622.db2.gz AVFGQMRFETWNNS-LBPRGKRZSA-N 0 3 390.827 3.135 20 30 GGEDHN N#CC(C(=O)CCOC[C@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130500564 1416389539 /nfs/dbraw/zinc/38/95/39/1416389539.db2.gz XHZLCBNMFHMZEW-HUUCEWRRSA-N 0 3 385.247 3.226 20 30 GGEDHN C#CCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)cc1 ZINC000130590760 1416405470 /nfs/dbraw/zinc/40/54/70/1416405470.db2.gz IWKVRTNIFNBXDZ-UHFFFAOYSA-N 0 3 377.488 3.401 20 30 GGEDHN COc1cccc([C@@H](CNC(=O)Cc2cccc(OCC#N)c2)N2CCCC2)c1 ZINC000130644397 1416416015 /nfs/dbraw/zinc/41/60/15/1416416015.db2.gz JGJVHOIHGOGVFZ-JOCHJYFZSA-N 0 3 393.487 3.093 20 30 GGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@@H]2CCCC[C@@H]2C(N)=O)c1C#N ZINC000130660723 1416419375 /nfs/dbraw/zinc/41/93/75/1416419375.db2.gz DSTYWAOCOOCFSE-PKOBYXMFSA-N 0 3 399.539 3.054 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000131228211 1416526666 /nfs/dbraw/zinc/52/66/66/1416526666.db2.gz YDECFKWQKNLMCT-VQTJNVASSA-N 0 3 393.535 3.318 20 30 GGEDHN Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](Cc3nccn3C)C2)c1C ZINC000131287000 1416535418 /nfs/dbraw/zinc/53/54/18/1416535418.db2.gz IUPKHKIMGWXUHE-HXUWFJFHSA-N 0 3 393.535 3.238 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000131324652 1416540343 /nfs/dbraw/zinc/54/03/43/1416540343.db2.gz JKHHZMKMPMKPAH-ZWKOTPCHSA-N 0 3 397.498 3.149 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)COc2ccc(F)c(Cl)c2)cc1 ZINC000131800555 1416624236 /nfs/dbraw/zinc/62/42/36/1416624236.db2.gz LQHOYCJBVZDSJG-CQSZACIVSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000131818320 1416628093 /nfs/dbraw/zinc/62/80/93/1416628093.db2.gz WZXUXEGTAAGXDR-SFHVURJKSA-N 0 3 393.487 3.069 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000131827667 1416630540 /nfs/dbraw/zinc/63/05/40/1416630540.db2.gz MPMSVRGZSJMDET-LJQANCHMSA-N 0 3 377.488 3.254 20 30 GGEDHN Cc1c(NC(=O)C(C#N)C(=O)CCC2CCCC2)c(=O)n(-c2ccccc2)n1C ZINC000131873101 1416639123 /nfs/dbraw/zinc/63/91/23/1416639123.db2.gz IHRMIZIXPJVMPM-SFHVURJKSA-N 0 3 394.475 3.102 20 30 GGEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000131883600 1416641103 /nfs/dbraw/zinc/64/11/03/1416641103.db2.gz BOMNPQFTDAGFSU-KRWDZBQOSA-N 0 3 382.464 3.102 20 30 GGEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000178592408 1429115808 /nfs/dbraw/zinc/11/58/08/1429115808.db2.gz YZBVKFAMFHXAME-QGZVFWFLSA-N 0 3 384.524 3.230 20 30 GGEDHN CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000178592396 1429115960 /nfs/dbraw/zinc/11/59/60/1429115960.db2.gz YZBVKFAMFHXAME-KRWDZBQOSA-N 0 3 384.524 3.230 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000131985536 1416666950 /nfs/dbraw/zinc/66/69/50/1416666950.db2.gz GXTSMJBJEWOHFX-LJQANCHMSA-N 0 3 376.391 3.210 20 30 GGEDHN C[C@@H](C1CC1)N(C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000178613169 1429122114 /nfs/dbraw/zinc/12/21/14/1429122114.db2.gz XNTSHAGKRSNTKH-RDJZCZTQSA-N 0 3 384.524 3.086 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132643098 1416799023 /nfs/dbraw/zinc/79/90/23/1416799023.db2.gz ZLGWUIDOHTUVEF-CQSZACIVSA-N 0 3 388.177 3.318 20 30 GGEDHN CN(C)CCN(Cc1ccco1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000133255171 1416871060 /nfs/dbraw/zinc/87/10/60/1416871060.db2.gz CKCJXIPCLPJDKM-UHFFFAOYSA-N 0 3 378.379 3.348 20 30 GGEDHN CNC(=O)C(C#N)C(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 ZINC000133401373 1416886380 /nfs/dbraw/zinc/88/63/80/1416886380.db2.gz LWNOZMNGPIQIDR-CYBMUJFWSA-N 0 3 386.864 3.176 20 30 GGEDHN C#CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133792709 1416964058 /nfs/dbraw/zinc/96/40/58/1416964058.db2.gz DHZPEWQJUSDRET-SJORKVTESA-N 0 3 386.517 3.361 20 30 GGEDHN CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(C)C ZINC000178702330 1429147211 /nfs/dbraw/zinc/14/72/11/1429147211.db2.gz CVVAZLRKBSNVIX-QGZVFWFLSA-N 0 3 386.540 3.334 20 30 GGEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCCc2cccs2)cc1 ZINC000134154375 1417030838 /nfs/dbraw/zinc/03/08/38/1417030838.db2.gz VCZCBWBSROHFMY-QGZVFWFLSA-N 0 3 383.473 3.120 20 30 GGEDHN CS[C@H]1CCCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000134557972 1417087081 /nfs/dbraw/zinc/08/70/81/1417087081.db2.gz YQPZKMDXDLOHNJ-KRWDZBQOSA-N 0 3 384.467 3.391 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(C2CCCC2)no1 ZINC000134976170 1417155122 /nfs/dbraw/zinc/15/51/22/1417155122.db2.gz QCCSKZIPTSSRLM-OAHLLOKOSA-N 0 3 396.447 3.406 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCc2nc(C3CCCC3)no2)c1 ZINC000134974955 1417155257 /nfs/dbraw/zinc/15/52/57/1417155257.db2.gz GVMGPALNOUDQAH-INIZCTEOSA-N 0 3 382.420 3.016 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(C2CCCC2)no1 ZINC000134976146 1417155430 /nfs/dbraw/zinc/15/54/30/1417155430.db2.gz QCCSKZIPTSSRLM-HNNXBMFYSA-N 0 3 396.447 3.406 20 30 GGEDHN N#CC(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccn1 ZINC000135018067 1417162566 /nfs/dbraw/zinc/16/25/66/1417162566.db2.gz GNBZBMJCXQLGKK-AWEZNQCLSA-N 0 3 395.806 3.065 20 30 GGEDHN N#CCOc1cc(F)ccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000135249203 1417195694 /nfs/dbraw/zinc/19/56/94/1417195694.db2.gz DEGMZZZXYJFULR-UHFFFAOYSA-N 0 3 392.500 3.211 20 30 GGEDHN N#Cc1c(NC(=O)CCN2CCS[C@@H]3COCC[C@@H]32)sc2c1CCCC2 ZINC000135535070 1417234303 /nfs/dbraw/zinc/23/43/03/1417234303.db2.gz PDIGUDYXNPFHMF-DOTOQJQBSA-N 0 3 391.562 3.033 20 30 GGEDHN CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCc2c1cnn2C ZINC000135635726 1417251441 /nfs/dbraw/zinc/25/14/41/1417251441.db2.gz XOEOTKFEZPRSNR-INIZCTEOSA-N 0 3 383.521 3.180 20 30 GGEDHN C=CCNc1ncc(C(=O)NCCCCN2CCN(c3ccccc3)CC2)s1 ZINC000136185556 1417299635 /nfs/dbraw/zinc/29/96/35/1417299635.db2.gz ZFFYFHMKMQNJEZ-UHFFFAOYSA-N 0 3 399.564 3.073 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccnc(OCC(F)F)c1 ZINC000136655966 1417335893 /nfs/dbraw/zinc/33/58/93/1417335893.db2.gz UYVQNSIYHXHFTA-LLVKDONJSA-N 0 3 397.740 3.479 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1ccnc(OCC(F)F)c1 ZINC000136655929 1417335925 /nfs/dbraw/zinc/33/59/25/1417335925.db2.gz UYVQNSIYHXHFTA-NSHDSACASA-N 0 3 397.740 3.479 20 30 GGEDHN N#CC(C(=O)CCc1cc(Br)ccc1F)C(=O)Nc1ccccn1 ZINC000137226237 1417376023 /nfs/dbraw/zinc/37/60/23/1417376023.db2.gz VZXIWPQHFLQHIB-ZDUSSCGKSA-N 0 3 390.212 3.263 20 30 GGEDHN N#Cc1ccc(CC(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000178813836 1429179346 /nfs/dbraw/zinc/17/93/46/1429179346.db2.gz ZFBXTOXSDNUQQM-NRFANRHFSA-N 0 3 385.471 3.383 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCOc1cccc(C(C)=O)c1 ZINC000138728143 1417435864 /nfs/dbraw/zinc/43/58/64/1417435864.db2.gz YUIPSOBHMHLFED-GOSISDBHSA-N 0 3 394.427 3.404 20 30 GGEDHN CCCOc1c(Cl)cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000138967167 1417443749 /nfs/dbraw/zinc/44/37/49/1417443749.db2.gz MZUVQMNNIKDDLY-ZDUSSCGKSA-N 0 3 387.823 3.494 20 30 GGEDHN CCCOc1c(Cl)cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc1OC ZINC000138967167 1417443753 /nfs/dbraw/zinc/44/37/53/1417443753.db2.gz MZUVQMNNIKDDLY-ZDUSSCGKSA-N 0 3 387.823 3.494 20 30 GGEDHN COc1ccc(CNC[C@@H](O)COc2ccc(F)cc2)cc1OCCCC#N ZINC000147188568 1417740604 /nfs/dbraw/zinc/74/06/04/1417740604.db2.gz VWFMJLXNXQXPJB-GOSISDBHSA-N 0 3 388.439 3.046 20 30 GGEDHN CCS(=O)(=O)c1ccc(CCC(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000178883043 1429210376 /nfs/dbraw/zinc/21/03/76/1429210376.db2.gz WFCJOTDJKMVFBY-INIZCTEOSA-N 0 3 382.441 3.430 20 30 GGEDHN CC(C)(C)CCN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000151207556 1417893875 /nfs/dbraw/zinc/89/38/75/1417893875.db2.gz DKJKPXZBFMQLDY-UHFFFAOYSA-N 0 3 384.524 3.247 20 30 GGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COc2c(C)nn(C)c2C)cc1 ZINC000151207364 1417893947 /nfs/dbraw/zinc/89/39/47/1417893947.db2.gz ZLFXITHIDLDTAP-SCLBCKFNSA-N 0 3 382.464 3.277 20 30 GGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)COc2c(C)nn(C)c2C)cc1 ZINC000151207235 1417893981 /nfs/dbraw/zinc/89/39/81/1417893981.db2.gz ZLFXITHIDLDTAP-UGSOOPFHSA-N 0 3 382.464 3.277 20 30 GGEDHN N#Cc1cccc(COc2cccc(CNCCn3cc([N+](=O)[O-])cn3)c2)c1 ZINC000151290023 1417916851 /nfs/dbraw/zinc/91/68/51/1417916851.db2.gz WJMUHTHEBVPLDY-UHFFFAOYSA-N 0 3 377.404 3.032 20 30 GGEDHN CC(C)[C@H](NCC(=O)N(C)C1(C#N)CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151308799 1417921768 /nfs/dbraw/zinc/92/17/68/1417921768.db2.gz DPJWZKGJBGVDLC-NRFANRHFSA-N 0 3 385.508 3.429 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](CC(=O)OC)c2ccc(C(C)(C)C)cc2)CC1 ZINC000151485393 1417997542 /nfs/dbraw/zinc/99/75/42/1417997542.db2.gz DOJJOSBWDMBDQI-FQEVSTJZSA-N 0 3 384.520 3.050 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)CC1 ZINC000151955711 1418103882 /nfs/dbraw/zinc/10/38/82/1418103882.db2.gz GOXLCDFDJLZTQW-UHFFFAOYSA-N 0 3 394.519 3.367 20 30 GGEDHN N#CC(C(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)c1ccccn1 ZINC000152265537 1418189116 /nfs/dbraw/zinc/18/91/16/1418189116.db2.gz UQPDQEWNEJODNM-MRXNPFEDSA-N 0 3 393.830 3.466 20 30 GGEDHN COc1ccc(C[C@H](C)C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000179174449 1429285792 /nfs/dbraw/zinc/28/57/92/1429285792.db2.gz SASMUJTVRBXYTF-SFHVURJKSA-N 0 3 379.504 3.336 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000179382010 1429351903 /nfs/dbraw/zinc/35/19/03/1429351903.db2.gz GMAQMXHTZHKBMS-UHFFFAOYSA-N 0 3 388.515 3.136 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(F)cc2cccnc21 ZINC000179395840 1429358359 /nfs/dbraw/zinc/35/83/59/1429358359.db2.gz VNHAYZBYDGJONN-UHFFFAOYSA-N 0 3 376.435 3.450 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)Cc1cc(OC)ccc1Br ZINC000179456244 1429383290 /nfs/dbraw/zinc/38/32/90/1429383290.db2.gz WFYYKQCDLOAWKZ-AWEZNQCLSA-N 0 3 381.270 3.015 20 30 GGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cccnc3OC)n2)cc1 ZINC000179471286 1429386151 /nfs/dbraw/zinc/38/61/51/1429386151.db2.gz UCIGOZQBKFCDAI-CQSZACIVSA-N 0 3 380.429 3.468 20 30 GGEDHN Cc1cc(F)ccc1-n1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000179488039 1429390998 /nfs/dbraw/zinc/39/09/98/1429390998.db2.gz AOEMELKWSDHCEX-HNNXBMFYSA-N 0 3 397.797 3.329 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2cn(-c3ccc(F)cc3C)nn2)cc1 ZINC000179488300 1429391143 /nfs/dbraw/zinc/39/11/43/1429391143.db2.gz OSCQOJNJMHXEMV-KRWDZBQOSA-N 0 3 391.406 3.238 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179496618 1429395243 /nfs/dbraw/zinc/39/52/43/1429395243.db2.gz MESJCGUKBCIKJA-OALUTQOASA-N 0 3 382.508 3.030 20 30 GGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179497803 1429395532 /nfs/dbraw/zinc/39/55/32/1429395532.db2.gz MQKHRAMVZJEDFM-REOHEROTSA-N 0 3 398.555 3.181 20 30 GGEDHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179497803 1429395537 /nfs/dbraw/zinc/39/55/37/1429395537.db2.gz MQKHRAMVZJEDFM-REOHEROTSA-N 0 3 398.555 3.181 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccnc(OCC(F)F)c1 ZINC000179611029 1429470358 /nfs/dbraw/zinc/47/03/58/1429470358.db2.gz OFQXZHCCNSWFCK-ZDUSSCGKSA-N 0 3 379.750 3.340 20 30 GGEDHN Cc1ccc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179666360 1429497940 /nfs/dbraw/zinc/49/79/40/1429497940.db2.gz LGPFABZPCKYKLB-MJGOQNOKSA-N 0 3 382.533 3.116 20 30 GGEDHN Cc1cccc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1C ZINC000179672578 1429500627 /nfs/dbraw/zinc/50/06/27/1429500627.db2.gz IRZIDXMLOZMJQS-QUCCMNQESA-N 0 3 396.560 3.425 20 30 GGEDHN Cc1cccc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1C ZINC000179672589 1429500944 /nfs/dbraw/zinc/50/09/44/1429500944.db2.gz IRZIDXMLOZMJQS-ICSRJNTNSA-N 0 3 396.560 3.425 20 30 GGEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)C2CC2)CC1 ZINC000179698205 1429511523 /nfs/dbraw/zinc/51/15/23/1429511523.db2.gz NPSBRARTOHPWHS-DENIHFKCSA-N 0 3 394.544 3.198 20 30 GGEDHN N#CCCN(C(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccccc1 ZINC000179744844 1429533827 /nfs/dbraw/zinc/53/38/27/1429533827.db2.gz FDWKZIFMUYCVNJ-HSZRJFAPSA-N 0 3 391.471 3.445 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000179754316 1429540537 /nfs/dbraw/zinc/54/05/37/1429540537.db2.gz QHKMYMZNCYXRED-FQEVSTJZSA-N 0 3 385.895 3.226 20 30 GGEDHN C[C@@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000179757224 1429542499 /nfs/dbraw/zinc/54/24/99/1429542499.db2.gz CLEZPUZTEVKVLA-QRWLVFNGSA-N 0 3 383.492 3.230 20 30 GGEDHN C[C@H](N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762878 1429546427 /nfs/dbraw/zinc/54/64/27/1429546427.db2.gz OKCWNCNICGNFAG-LHSJRXKWSA-N 0 3 377.444 3.397 20 30 GGEDHN C[C@H](N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccccc1C#N ZINC000179762900 1429546829 /nfs/dbraw/zinc/54/68/29/1429546829.db2.gz OKCWNCNICGNFAG-QKKBWIMNSA-N 0 3 377.444 3.397 20 30 GGEDHN CC(C)OCCCNC(=O)C1CCN(Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000153073831 1422347030 /nfs/dbraw/zinc/34/70/30/1422347030.db2.gz AMYPWVKQZSEMMB-GOSISDBHSA-N 0 3 387.524 3.121 20 30 GGEDHN CN(C(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1(C#N)CCCCC1 ZINC000179768483 1429550312 /nfs/dbraw/zinc/55/03/12/1429550312.db2.gz QJYKGUOIWCNTEZ-OAQYLSRUSA-N 0 3 383.492 3.183 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000153115705 1422361694 /nfs/dbraw/zinc/36/16/94/1422361694.db2.gz QWLURAPVXYZLFT-UHFFFAOYSA-N 0 3 393.509 3.104 20 30 GGEDHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCc1csc(C2CC2)n1 ZINC000153264933 1422427247 /nfs/dbraw/zinc/42/72/47/1422427247.db2.gz OUMJLBYSZYZPPW-UHFFFAOYSA-N 0 3 399.564 3.017 20 30 GGEDHN C[C@@H](C(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1c(F)cccc1F ZINC000153415017 1422523024 /nfs/dbraw/zinc/52/30/24/1422523024.db2.gz VNBPPKYOBPZWEZ-IUODEOHRSA-N 0 3 399.397 3.118 20 30 GGEDHN C=CCN(C)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000153942722 1422814584 /nfs/dbraw/zinc/81/45/84/1422814584.db2.gz LPDDQYFOYMFLML-UHFFFAOYSA-N 0 3 398.473 3.435 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1Cl)c1ccccc1 ZINC000154380128 1422881369 /nfs/dbraw/zinc/88/13/69/1422881369.db2.gz ARSQVIOZCJQYJR-LJQANCHMSA-N 0 3 398.894 3.349 20 30 GGEDHN N#CCCN(C(=O)CCC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000154669153 1422994146 /nfs/dbraw/zinc/99/41/46/1422994146.db2.gz YIBDKSLJLMUMDQ-UHFFFAOYSA-N 0 3 396.535 3.190 20 30 GGEDHN C#CCOc1ccccc1CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000154739350 1423017988 /nfs/dbraw/zinc/01/79/88/1423017988.db2.gz HXHCAQMHSJFEPV-UHFFFAOYSA-N 0 3 380.463 3.366 20 30 GGEDHN COCC(C)(C)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000154880842 1423065218 /nfs/dbraw/zinc/06/52/18/1423065218.db2.gz NQROVVBHHDJILR-UHFFFAOYSA-N 0 3 386.471 3.117 20 30 GGEDHN Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000154892480 1423070199 /nfs/dbraw/zinc/07/01/99/1423070199.db2.gz JKJJWLASPPQYDN-UHFFFAOYSA-N 0 3 392.503 3.026 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000154991502 1423102013 /nfs/dbraw/zinc/10/20/13/1423102013.db2.gz BZRBEGDQUIWUAB-OAQYLSRUSA-N 0 3 394.471 3.265 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 ZINC000155055578 1423137922 /nfs/dbraw/zinc/13/79/22/1423137922.db2.gz PQAWTTHXJSUSSN-ACJLOTCBSA-N 0 3 386.835 3.141 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 ZINC000155055474 1423138388 /nfs/dbraw/zinc/13/83/88/1423138388.db2.gz PQAWTTHXJSUSSN-UGSOOPFHSA-N 0 3 386.835 3.141 20 30 GGEDHN O=C(NCCNCc1cccc(OCc2ccc(F)cc2)c1)C1N=CC=CC1=O ZINC000179887493 1429625772 /nfs/dbraw/zinc/62/57/72/1429625772.db2.gz ZOWVTEQEOKGGES-DQRAZIAOSA-N 0 3 395.434 3.021 20 30 GGEDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2cc(C#N)ccc2Cl)c1 ZINC000155233981 1423263484 /nfs/dbraw/zinc/26/34/84/1423263484.db2.gz FAXSXQBUHMZFNG-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN CC(C)(NCCC(=O)Nc1sccc1C#N)C(=O)NCC1CCCCC1 ZINC000155313435 1423312980 /nfs/dbraw/zinc/31/29/80/1423312980.db2.gz WUOSZWVDDCFCNE-UHFFFAOYSA-N 0 3 376.526 3.013 20 30 GGEDHN C#CCN1CCC(C(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000155468254 1423377164 /nfs/dbraw/zinc/37/71/64/1423377164.db2.gz DWWUBZNBBVOCDX-UHFFFAOYSA-N 0 3 377.326 3.188 20 30 GGEDHN C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000155507322 1423391965 /nfs/dbraw/zinc/39/19/65/1423391965.db2.gz BBNNUVCLZUKXBH-DLBZAZTESA-N 0 3 378.476 3.062 20 30 GGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000155597525 1423437198 /nfs/dbraw/zinc/43/71/98/1423437198.db2.gz BPBUZRIJGAAACF-MRXNPFEDSA-N 0 3 380.517 3.387 20 30 GGEDHN CCn1nnnc1-c1cccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000179935839 1429651196 /nfs/dbraw/zinc/65/11/96/1429651196.db2.gz ORVROCMBIKRIBO-UHFFFAOYSA-N 0 3 387.491 3.308 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 ZINC000155969574 1423613990 /nfs/dbraw/zinc/61/39/90/1423613990.db2.gz DZUCUTLVSIQRQO-UHFFFAOYSA-N 0 3 383.414 3.434 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000156055758 1423653962 /nfs/dbraw/zinc/65/39/62/1423653962.db2.gz CKIMXSVXYCXQTM-UHFFFAOYSA-N 0 3 393.462 3.039 20 30 GGEDHN CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1C#N ZINC000156193738 1423717794 /nfs/dbraw/zinc/71/77/94/1423717794.db2.gz MQGXVAGZLYNSKJ-UHFFFAOYSA-N 0 3 395.525 3.292 20 30 GGEDHN Cc1cccc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)c1C#N ZINC000156919662 1423885821 /nfs/dbraw/zinc/88/58/21/1423885821.db2.gz KOYUHOLFRIHREA-UHFFFAOYSA-N 0 3 389.546 3.119 20 30 GGEDHN CC(C)N(CC(=O)NC[C@@H](c1ccccc1)N(C)C)Cc1ccc(C#N)cc1 ZINC000157921113 1424119995 /nfs/dbraw/zinc/11/99/95/1424119995.db2.gz IGDNMLYJOVFTHV-QFIPXVFZSA-N 0 3 378.520 3.188 20 30 GGEDHN CC(C)N(CC(=O)NC[C@H](c1ccccc1)N(C)C)Cc1ccc(C#N)cc1 ZINC000157921269 1424120075 /nfs/dbraw/zinc/12/00/75/1424120075.db2.gz IGDNMLYJOVFTHV-JOCHJYFZSA-N 0 3 378.520 3.188 20 30 GGEDHN COc1cc(C#N)ccc1OCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000158051660 1424149580 /nfs/dbraw/zinc/14/95/80/1424149580.db2.gz JNOYTIRYCKTDRE-LJQANCHMSA-N 0 3 382.460 3.332 20 30 GGEDHN COc1cc(C#N)ccc1OCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000158051660 1424149596 /nfs/dbraw/zinc/14/95/96/1424149596.db2.gz JNOYTIRYCKTDRE-LJQANCHMSA-N 0 3 382.460 3.332 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC000158187302 1424189411 /nfs/dbraw/zinc/18/94/11/1424189411.db2.gz XXHZKRHAYCDARI-AEFFLSMTSA-N 0 3 394.560 3.114 20 30 GGEDHN Cn1cc(CNCc2ccc(Cn3cccn3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000180042222 1429709648 /nfs/dbraw/zinc/70/96/48/1429709648.db2.gz IVENECZFTACICD-UHFFFAOYSA-N 0 3 382.471 3.493 20 30 GGEDHN Cn1cc(CNCc2ccccc2CN2CCCC2=O)c(-c2ccc(C#N)cc2)n1 ZINC000180048782 1429713004 /nfs/dbraw/zinc/71/30/04/1429713004.db2.gz IMHQFCFCCLFOFJ-UHFFFAOYSA-N 0 3 399.498 3.371 20 30 GGEDHN COCCOc1ccc(CNCc2cn(C)nc2-c2ccc(C#N)cc2)cc1 ZINC000180050423 1429714526 /nfs/dbraw/zinc/71/45/26/1429714526.db2.gz CAUJWPGWMLTPHP-UHFFFAOYSA-N 0 3 376.460 3.274 20 30 GGEDHN COc1ccccc1-c1nn(C)cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000158625626 1424305060 /nfs/dbraw/zinc/30/50/60/1424305060.db2.gz QQWFSFYKACXTFO-HNNXBMFYSA-N 0 3 385.427 3.472 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2nc(-c3ccco3)oc2C)c1 ZINC000159757162 1424531629 /nfs/dbraw/zinc/53/16/29/1424531629.db2.gz IBXYQRXNBLSQBZ-HNNXBMFYSA-N 0 3 379.372 3.142 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000159944480 1424554693 /nfs/dbraw/zinc/55/46/93/1424554693.db2.gz OZQDQUCRLXSXLD-DYESRHJHSA-N 0 3 392.503 3.387 20 30 GGEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000159999635 1424561695 /nfs/dbraw/zinc/56/16/95/1424561695.db2.gz SNGHMFRSONTZBG-XLIONFOSSA-N 0 3 383.517 3.232 20 30 GGEDHN C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000160006939 1424561953 /nfs/dbraw/zinc/56/19/53/1424561953.db2.gz FJHZTIKGNISUKN-PGRDOPGGSA-N 0 3 397.544 3.373 20 30 GGEDHN CN(CCN1CCN(C(=O)c2ccc(C#N)c(Cl)c2)CC1)Cc1ccccc1 ZINC000160607436 1424618744 /nfs/dbraw/zinc/61/87/44/1424618744.db2.gz LNAGUSIUWMLBNM-UHFFFAOYSA-N 0 3 396.922 3.101 20 30 GGEDHN C=C(C)Cn1c(-c2ccncc2)nn(CN2CCN(C)C[C@@H]2C(C)C)c1=S ZINC000160908233 1424643451 /nfs/dbraw/zinc/64/34/51/1424643451.db2.gz UCFLLIYKMUOPAC-GOSISDBHSA-N 0 3 386.569 3.282 20 30 GGEDHN COc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1OC ZINC000161785181 1424763716 /nfs/dbraw/zinc/76/37/16/1424763716.db2.gz RQROZJVBHDKRIQ-UHFFFAOYSA-N 0 3 382.464 3.171 20 30 GGEDHN COc1ccc(OC)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000161796330 1424766198 /nfs/dbraw/zinc/76/61/98/1424766198.db2.gz NIFCXFQAXRATIP-UHFFFAOYSA-N 0 3 382.464 3.171 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC000162031520 1424810425 /nfs/dbraw/zinc/81/04/25/1424810425.db2.gz OBIRJKODPOXHSM-UWJYYQICSA-N 0 3 392.503 3.244 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)cc1 ZINC000162031401 1424810502 /nfs/dbraw/zinc/81/05/02/1424810502.db2.gz OBIRJKODPOXHSM-UTKZUKDTSA-N 0 3 392.503 3.244 20 30 GGEDHN C#CCN1CCC(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)CC1 ZINC000162295969 1424835229 /nfs/dbraw/zinc/83/52/29/1424835229.db2.gz NURABJSRNUVEDA-UHFFFAOYSA-N 0 3 399.538 3.246 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(C3CCCC3)o2)cc1 ZINC000162486174 1424857924 /nfs/dbraw/zinc/85/79/24/1424857924.db2.gz OTZMWJWAYXFUBF-INIZCTEOSA-N 0 3 382.420 3.016 20 30 GGEDHN N#CCOc1ccccc1C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000170636471 1425269598 /nfs/dbraw/zinc/26/95/98/1425269598.db2.gz XAXMZSISDKBZCM-UHFFFAOYSA-N 0 3 377.488 3.370 20 30 GGEDHN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000170652751 1425278926 /nfs/dbraw/zinc/27/89/26/1425278926.db2.gz KFQPBZKNVMZJBU-KRWDZBQOSA-N 0 3 386.496 3.218 20 30 GGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccccc1F ZINC000170673127 1425290354 /nfs/dbraw/zinc/29/03/54/1425290354.db2.gz KXCGMPJWBNVFCF-KSSFIOAISA-N 0 3 395.434 3.369 20 30 GGEDHN COc1ccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1F ZINC000170836131 1425360892 /nfs/dbraw/zinc/36/08/92/1425360892.db2.gz UJOIAZHLSHFABV-UHFFFAOYSA-N 0 3 398.482 3.022 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(C)cc3F)c3c2CCC3)CC1 ZINC000170949104 1425408424 /nfs/dbraw/zinc/40/84/24/1425408424.db2.gz ULDPYTVDGUTYLP-UHFFFAOYSA-N 0 3 382.483 3.189 20 30 GGEDHN N#CC(C(=O)COc1ccccc1OCC(F)(F)F)C(=O)Nc1ccccc1 ZINC000171036056 1425449586 /nfs/dbraw/zinc/44/95/86/1425449586.db2.gz RIIGAJDBEJTMOM-CQSZACIVSA-N 0 3 392.333 3.354 20 30 GGEDHN C[C@H](Oc1ccccc1C(F)(F)F)C(=O)C(C#N)C(=O)NCc1ccccc1 ZINC000171105380 1425485323 /nfs/dbraw/zinc/48/53/23/1425485323.db2.gz KYZZGRVATGGURR-DZGCQCFKSA-N 0 3 390.361 3.498 20 30 GGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)C1CCCC1 ZINC000171105712 1425485834 /nfs/dbraw/zinc/48/58/34/1425485834.db2.gz GBVKLQRJZYPNDK-RISCZKNCSA-N 0 3 393.846 3.211 20 30 GGEDHN COCCN(C)CCNC(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000171128608 1425495902 /nfs/dbraw/zinc/49/59/02/1425495902.db2.gz GLGRGRDSVKSOSZ-UHFFFAOYSA-N 0 3 383.517 3.159 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000171292312 1425598288 /nfs/dbraw/zinc/59/82/88/1425598288.db2.gz ICEOUHLVZUJBNR-UHFFFAOYSA-N 0 3 378.501 3.112 20 30 GGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)n1cnc2ccccc21 ZINC000171445595 1425682106 /nfs/dbraw/zinc/68/21/06/1425682106.db2.gz MKZAAGOZAGGWJO-KRWDZBQOSA-N 0 3 375.476 3.059 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000171554431 1425732298 /nfs/dbraw/zinc/73/22/98/1425732298.db2.gz GZHPNIGKLUWVTL-UHFFFAOYSA-N 0 3 385.430 3.424 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C(=O)NCCCC)cc2)CC1 ZINC000171556083 1425733716 /nfs/dbraw/zinc/73/37/16/1425733716.db2.gz DWYXGGJUOFOXRD-UHFFFAOYSA-N 0 3 386.540 3.056 20 30 GGEDHN N#CC(C(=O)c1cccc2c1OCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000171567387 1425738526 /nfs/dbraw/zinc/73/85/26/1425738526.db2.gz KRWCLPPCDAKQQG-NSHDSACASA-N 0 3 382.326 3.252 20 30 GGEDHN C=CCN1CCC(NC(=O)COc2ccccc2OCc2ccccc2)CC1 ZINC000171605918 1425756497 /nfs/dbraw/zinc/75/64/97/1425756497.db2.gz CUALUKIFOPOVQZ-UHFFFAOYSA-N 0 3 380.488 3.411 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc(COCCOC(C)C)c2)CC1 ZINC000171637115 1425768217 /nfs/dbraw/zinc/76/82/17/1425768217.db2.gz CRVQDQAKYOGHSZ-UHFFFAOYSA-N 0 3 375.513 3.400 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)CC1 ZINC000171636981 1425768337 /nfs/dbraw/zinc/76/83/37/1425768337.db2.gz BPDLWKAZGGRASK-UHFFFAOYSA-N 0 3 384.524 3.439 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)CC1 ZINC000171711009 1425799083 /nfs/dbraw/zinc/79/90/83/1425799083.db2.gz GSKMABIJKGUAQK-FQEVSTJZSA-N 0 3 390.959 3.427 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000171714834 1425800930 /nfs/dbraw/zinc/80/09/30/1425800930.db2.gz ILMVABFBMRPGBJ-HNNXBMFYSA-N 0 3 385.487 3.330 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000171714868 1425800994 /nfs/dbraw/zinc/80/09/94/1425800994.db2.gz NWKUXFJAATUGGR-CYBMUJFWSA-N 0 3 396.318 3.113 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 ZINC000171716393 1425801082 /nfs/dbraw/zinc/80/10/82/1425801082.db2.gz XMCLFPILVUQTJP-UHFFFAOYSA-N 0 3 378.398 3.271 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nc(C(C)C)n(-c3ccccc3Cl)n2)CC1 ZINC000171717136 1425801586 /nfs/dbraw/zinc/80/15/86/1425801586.db2.gz PEEFJIXAPUQWDB-UHFFFAOYSA-N 0 3 387.915 3.424 20 30 GGEDHN C=CCN1CCC(NC(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 ZINC000171716756 1425801651 /nfs/dbraw/zinc/80/16/51/1425801651.db2.gz ITZRDIYSJICTRO-UHFFFAOYSA-N 0 3 375.557 3.008 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)Nc3cccc(C)c3)C2)CC1 ZINC000171717770 1425801692 /nfs/dbraw/zinc/80/16/92/1425801692.db2.gz WJQCUDKNCILJGV-GOSISDBHSA-N 0 3 384.524 3.006 20 30 GGEDHN C=CCN1CCC(NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)CC1 ZINC000171716503 1425801702 /nfs/dbraw/zinc/80/17/02/1425801702.db2.gz QSXUJQUZCOSRAD-UHFFFAOYSA-N 0 3 389.584 3.398 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 ZINC000171718037 1425802278 /nfs/dbraw/zinc/80/22/78/1425802278.db2.gz BMZZQJNITHOPCP-UHFFFAOYSA-N 0 3 398.528 3.041 20 30 GGEDHN C=CCN1CCC(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000171718986 1425802283 /nfs/dbraw/zinc/80/22/83/1425802283.db2.gz CZTZVBSDRMZSPJ-UHFFFAOYSA-N 0 3 388.899 3.479 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000171720030 1425802702 /nfs/dbraw/zinc/80/27/02/1425802702.db2.gz RRRRAIFUSHYKSN-UHFFFAOYSA-N 0 3 378.398 3.271 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)CC1 ZINC000171719596 1425802905 /nfs/dbraw/zinc/80/29/05/1425802905.db2.gz QHWIHNUZXAFUKS-UHFFFAOYSA-N 0 3 396.388 3.410 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(OCc3cscn3)c(OC)c2)CC1 ZINC000171719547 1425802921 /nfs/dbraw/zinc/80/29/21/1425802921.db2.gz COVXIGHHWHIAQI-UHFFFAOYSA-N 0 3 387.505 3.111 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)COc2ccccc2C(F)(F)F)CC1 ZINC000171723532 1425803914 /nfs/dbraw/zinc/80/39/14/1425803914.db2.gz IIEFZAOVUPEGIG-AWEZNQCLSA-N 0 3 385.430 3.422 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)COc2ccccc2C(F)(F)F)CC1 ZINC000171723534 1425804094 /nfs/dbraw/zinc/80/40/94/1425804094.db2.gz IIEFZAOVUPEGIG-CQSZACIVSA-N 0 3 385.430 3.422 20 30 GGEDHN C=CCN1CCC(NC(=O)CSc2nccn2-c2cc(C)cc(C)c2)CC1 ZINC000171724279 1425804107 /nfs/dbraw/zinc/80/41/07/1425804107.db2.gz PBHUAUOMYJQRTO-UHFFFAOYSA-N 0 3 384.549 3.348 20 30 GGEDHN C=CCN1CCC(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000171725890 1425804395 /nfs/dbraw/zinc/80/43/95/1425804395.db2.gz FFPPVTJNSHKTDO-UHFFFAOYSA-N 0 3 378.472 3.063 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H](C)CC)CC1 ZINC000171727663 1425804582 /nfs/dbraw/zinc/80/45/82/1425804582.db2.gz GOBQJZAXWBMYPQ-BEFAXECRSA-N 0 3 391.943 3.251 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 ZINC000171725959 1425804601 /nfs/dbraw/zinc/80/46/01/1425804601.db2.gz OSXHZFSFIJOZBQ-UHFFFAOYSA-N 0 3 386.496 3.211 20 30 GGEDHN C=CCN1CCC(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)CC1 ZINC000171727271 1425804679 /nfs/dbraw/zinc/80/46/79/1425804679.db2.gz XFULLTHEOFWYNY-UHFFFAOYSA-N 0 3 383.492 3.180 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 ZINC000171729017 1425805088 /nfs/dbraw/zinc/80/50/88/1425805088.db2.gz ZRQDRKVKDMWKEO-UHFFFAOYSA-N 0 3 393.413 3.056 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)CC1 ZINC000171738122 1425807365 /nfs/dbraw/zinc/80/73/65/1425807365.db2.gz BLNFUBKFBOCZGO-UHFFFAOYSA-N 0 3 384.402 3.436 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCc2ccccc2)Cc2ccncc2)CC1 ZINC000171738635 1425807589 /nfs/dbraw/zinc/80/75/89/1425807589.db2.gz OJPVYNPXOOMUOO-UHFFFAOYSA-N 0 3 378.520 3.486 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)CC1 ZINC000171741011 1425808563 /nfs/dbraw/zinc/80/85/63/1425808563.db2.gz UCOXQLCDFUEQHM-UHFFFAOYSA-N 0 3 392.931 3.498 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 ZINC000171741665 1425808767 /nfs/dbraw/zinc/80/87/67/1425808767.db2.gz QGKXHBFSFYHAAE-UHFFFAOYSA-N 0 3 376.888 3.004 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(F)c2)C[C@H]2CCCO2)CC1 ZINC000171741871 1425809193 /nfs/dbraw/zinc/80/91/93/1425809193.db2.gz AFOQAZXFOQQESM-HXUWFJFHSA-N 0 3 375.488 3.167 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)CC1 ZINC000171741741 1425809224 /nfs/dbraw/zinc/80/92/24/1425809224.db2.gz KYHVWFUATOMFAQ-UHFFFAOYSA-N 0 3 384.524 3.331 20 30 GGEDHN Cn1cc(CNCc2ccc(OCC#N)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171769265 1425815835 /nfs/dbraw/zinc/81/58/35/1425815835.db2.gz MFLJUPCPYXRJKG-UHFFFAOYSA-N 0 3 377.404 3.187 20 30 GGEDHN C=CCNC(=O)c1ccc(NCCCCN2CCN(c3ccccc3)CC2)nc1 ZINC000171985515 1425867694 /nfs/dbraw/zinc/86/76/94/1425867694.db2.gz ZIWGPZIZUBMRLT-UHFFFAOYSA-N 0 3 393.535 3.012 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000172074876 1425890084 /nfs/dbraw/zinc/89/00/84/1425890084.db2.gz SVDHEKCYBCNWRE-UHFFFAOYSA-N 0 3 378.451 3.312 20 30 GGEDHN C#CCCOc1ccc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000172114580 1425900617 /nfs/dbraw/zinc/90/06/17/1425900617.db2.gz OEJPGWPMKZEWDS-KRWDZBQOSA-N 0 3 386.517 3.190 20 30 GGEDHN Cc1nc(-c2cnn(C)c2)sc1C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1 ZINC000172185966 1425938518 /nfs/dbraw/zinc/93/85/18/1425938518.db2.gz AARVYVSGLAYREN-CQSZACIVSA-N 0 3 399.863 3.467 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1ccccc1OC(F)F ZINC000172339601 1426007046 /nfs/dbraw/zinc/00/70/46/1426007046.db2.gz VBJCWLGNRIBTTK-UHFFFAOYSA-N 0 3 387.430 3.293 20 30 GGEDHN O=C(CC1(N2CCOCC2)CCCC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000172410516 1426029705 /nfs/dbraw/zinc/02/97/05/1426029705.db2.gz HFIAQUZFRXGVNR-UHFFFAOYSA-N 0 3 394.437 3.208 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccoc2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000172545151 1426081479 /nfs/dbraw/zinc/08/14/79/1426081479.db2.gz PZFVBXZCLJTVJZ-AWEZNQCLSA-N 0 3 384.779 3.263 20 30 GGEDHN COc1ccc(N2CCCN(CCOc3ccc(C#N)cc3OC)CC2)cc1 ZINC000172651559 1426127975 /nfs/dbraw/zinc/12/79/75/1426127975.db2.gz OUJULBPJCYWKBH-UHFFFAOYSA-N 0 3 381.476 3.167 20 30 GGEDHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)C(C#N)c2nc3ccccc3o2)C1 ZINC000172668793 1426135942 /nfs/dbraw/zinc/13/59/42/1426135942.db2.gz QWYPPLCQNSAOBA-CVEARBPZSA-N 0 3 382.464 3.472 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172700072 1426150136 /nfs/dbraw/zinc/15/01/36/1426150136.db2.gz NLEAGFMYVKGCKB-LJQANCHMSA-N 0 3 392.503 3.395 20 30 GGEDHN Cc1cc2c(cc1C)O[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C2 ZINC000172899495 1426245975 /nfs/dbraw/zinc/24/59/75/1426245975.db2.gz AWNYBHCLVUTKHG-JOCHJYFZSA-N 0 3 377.488 3.069 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000173101918 1426342703 /nfs/dbraw/zinc/34/27/03/1426342703.db2.gz VNPUMKLWMKRWET-LJQANCHMSA-N 0 3 387.524 3.062 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CC1 ZINC000173210465 1426395840 /nfs/dbraw/zinc/39/58/40/1426395840.db2.gz ZYHKXTDHNDLEKW-UHFFFAOYSA-N 0 3 396.466 3.456 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccc(OCc3noc(C4CC4)n3)cc2)CC1 ZINC000173225472 1426410203 /nfs/dbraw/zinc/41/02/03/1426410203.db2.gz OSAPPIBZUZLPJR-UHFFFAOYSA-N 0 3 397.479 3.298 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(ccn3CC(C)C)c2)CC1 ZINC000173271606 1426450378 /nfs/dbraw/zinc/45/03/78/1426450378.db2.gz CJIONFJXFMQKKU-UHFFFAOYSA-N 0 3 382.508 3.002 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1 ZINC000173272739 1426451389 /nfs/dbraw/zinc/45/13/89/1426451389.db2.gz FOOXSTOUONHEMI-UHFFFAOYSA-N 0 3 393.487 3.492 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1 ZINC000173274167 1426452573 /nfs/dbraw/zinc/45/25/73/1426452573.db2.gz YJNGMIQHQWJCOQ-UHFFFAOYSA-N 0 3 393.487 3.492 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1 ZINC000173273993 1426452732 /nfs/dbraw/zinc/45/27/32/1426452732.db2.gz BXNHSNMSFPMCQU-UHFFFAOYSA-N 0 3 377.444 3.291 20 30 GGEDHN C[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)Oc1ccc(F)cc1 ZINC000173279782 1426456471 /nfs/dbraw/zinc/45/64/71/1426456471.db2.gz SGNKQTNMMLXRKS-QGZVFWFLSA-N 0 3 398.482 3.238 20 30 GGEDHN CO[C@H](CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000173681194 1426819650 /nfs/dbraw/zinc/81/96/50/1426819650.db2.gz WVXGZDIQWVFEPG-OAQYLSRUSA-N 0 3 398.482 3.158 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000173699588 1426824753 /nfs/dbraw/zinc/82/47/53/1426824753.db2.gz KJYGWKURWCBGEO-HXUWFJFHSA-N 0 3 393.487 3.069 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000173934597 1426898342 /nfs/dbraw/zinc/89/83/42/1426898342.db2.gz DABJAGPEIYOPMN-BZUAXINKSA-N 0 3 383.275 3.349 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)c1 ZINC000173965027 1426913836 /nfs/dbraw/zinc/91/38/36/1426913836.db2.gz PMFDRHHTEMRSLL-OAHLLOKOSA-N 0 3 398.488 3.326 20 30 GGEDHN CCN(CC(=O)Nc1sccc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000173971934 1426916782 /nfs/dbraw/zinc/91/67/82/1426916782.db2.gz FPRRETIFTMOYGJ-UHFFFAOYSA-N 0 3 383.521 3.192 20 30 GGEDHN COc1ccc([C@H](CNC(=O)NCc2cc(C#N)ccc2F)N2CCCC2)cc1 ZINC000173972185 1426917445 /nfs/dbraw/zinc/91/74/45/1426917445.db2.gz WTKXYDLWXHGPHK-NRFANRHFSA-N 0 3 396.466 3.342 20 30 GGEDHN C[C@@H](NCc1cccc(NC(=O)CCN2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000173974369 1426919718 /nfs/dbraw/zinc/91/97/18/1426919718.db2.gz SWCBXDALWWYHGG-GOSISDBHSA-N 0 3 392.503 3.070 20 30 GGEDHN CC(C)NC(=O)CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000173981265 1426924790 /nfs/dbraw/zinc/92/47/90/1426924790.db2.gz ONUALTKLXYAMGZ-AWEZNQCLSA-N 0 3 384.263 3.336 20 30 GGEDHN CC(C)NC(=O)C(C#N)C(=O)CCc1nc2cc(Br)ccc2s1 ZINC000173981735 1426925379 /nfs/dbraw/zinc/92/53/79/1426925379.db2.gz DCAYHTQNQFSVCI-NSHDSACASA-N 0 3 394.294 3.225 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)CCc2ccccc2F)cc1 ZINC000173995329 1426932679 /nfs/dbraw/zinc/93/26/79/1426932679.db2.gz FSHLJGSFOCDWBR-JXFKEZNVSA-N 0 3 396.462 3.471 20 30 GGEDHN Cc1oc(NC(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)c(C#N)c1C ZINC000173996287 1426933453 /nfs/dbraw/zinc/93/34/53/1426933453.db2.gz BKSUBTXXDUEAJG-INIZCTEOSA-N 0 3 380.492 3.303 20 30 GGEDHN Cc1oc(NC(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)c(C#N)c1C ZINC000173996302 1426933677 /nfs/dbraw/zinc/93/36/77/1426933677.db2.gz BKSUBTXXDUEAJG-MRXNPFEDSA-N 0 3 380.492 3.303 20 30 GGEDHN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000174011133 1426942226 /nfs/dbraw/zinc/94/22/26/1426942226.db2.gz FILCTIPYKNDCJR-HNNXBMFYSA-N 0 3 379.807 3.190 20 30 GGEDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098974 1427001234 /nfs/dbraw/zinc/00/12/34/1427001234.db2.gz VWFSEHQTRSIHLI-OAHLLOKOSA-N 0 3 384.402 3.152 20 30 GGEDHN COc1ccc(CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N ZINC000174304104 1427093058 /nfs/dbraw/zinc/09/30/58/1427093058.db2.gz MCWKYJAIEWBWOH-INIZCTEOSA-N 0 3 380.366 3.115 20 30 GGEDHN COc1ccc(CNCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C#N ZINC000174306345 1427094176 /nfs/dbraw/zinc/09/41/76/1427094176.db2.gz YETJDVFEZYYKPT-IRXDYDNUSA-N 0 3 393.487 3.106 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000174401115 1427140481 /nfs/dbraw/zinc/14/04/81/1427140481.db2.gz YANATOAVGWTUCY-SFTDATJTSA-N 0 3 394.523 3.012 20 30 GGEDHN CCN1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccccc3Cl)cc2)CC1 ZINC000174840966 1427399467 /nfs/dbraw/zinc/39/94/67/1427399467.db2.gz VPGSFJZDMQFLHH-HXUWFJFHSA-N 0 3 382.895 3.477 20 30 GGEDHN Cc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1Cl ZINC000175088433 1427540036 /nfs/dbraw/zinc/54/00/36/1427540036.db2.gz SCIYTMFZBQKYHR-UHFFFAOYSA-N 0 3 398.894 3.049 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC000175164254 1427576653 /nfs/dbraw/zinc/57/66/53/1427576653.db2.gz NTORVJUOHIFHTN-NRFANRHFSA-N 0 3 390.487 3.171 20 30 GGEDHN Cc1ccc(CNC(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)cc1 ZINC000175315094 1427670919 /nfs/dbraw/zinc/67/09/19/1427670919.db2.gz DCDPGIIUKSHBIG-UHFFFAOYSA-N 0 3 377.488 3.274 20 30 GGEDHN Cc1ccc(CNC(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000175329076 1427682556 /nfs/dbraw/zinc/68/25/56/1427682556.db2.gz HPLBDDWZAXETGD-UHFFFAOYSA-N 0 3 377.488 3.274 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)c(F)cc(F)c1F ZINC000175683326 1427855636 /nfs/dbraw/zinc/85/56/36/1427855636.db2.gz ONJGXQSFBZFWBN-UHFFFAOYSA-N 0 3 379.357 3.319 20 30 GGEDHN CC(C)OCCN1CCC(NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000175687906 1427857811 /nfs/dbraw/zinc/85/78/11/1427857811.db2.gz OKCGNLSZNCHFLX-UHFFFAOYSA-N 0 3 396.438 3.171 20 30 GGEDHN CN1CCC(N(Cc2ccccc2)C(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000175703179 1427864066 /nfs/dbraw/zinc/86/40/66/1427864066.db2.gz OBSMFBDHDAGCMF-UHFFFAOYSA-N 0 3 377.488 3.254 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(SCC#N)c1 ZINC000175938102 1427984220 /nfs/dbraw/zinc/98/42/20/1427984220.db2.gz MVRYNLVPLVYHGN-UHFFFAOYSA-N 0 3 378.501 3.378 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000176020035 1428031009 /nfs/dbraw/zinc/03/10/09/1428031009.db2.gz ITASPJLMFNGSPY-DMDPSCGWSA-N 0 3 380.803 3.106 20 30 GGEDHN Cc1ccc(CCCC(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 ZINC000176021477 1428031076 /nfs/dbraw/zinc/03/10/76/1428031076.db2.gz WKIAUZMNDNSZRB-GOSISDBHSA-N 0 3 397.500 3.429 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)CCCc2ccc(C)s2)cc1 ZINC000176021864 1428031845 /nfs/dbraw/zinc/03/18/45/1428031845.db2.gz NOJUEZLJDVRFFR-LJQANCHMSA-N 0 3 384.501 3.456 20 30 GGEDHN CCOc1ccnc(N2CCCN(Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000180605847 1429929559 /nfs/dbraw/zinc/92/95/59/1429929559.db2.gz RFOUHQWDVXFDCQ-UHFFFAOYSA-N 0 3 395.507 3.270 20 30 GGEDHN COc1ccc(CN2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654934 1429959205 /nfs/dbraw/zinc/95/92/05/1429959205.db2.gz ZHIGBSSURSGBOQ-WIYYLYMNSA-N 0 3 398.507 3.057 20 30 GGEDHN CC[C@@H](C)Oc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccn1 ZINC000180767496 1430028481 /nfs/dbraw/zinc/02/84/81/1430028481.db2.gz RNOMQDXVXXQVOC-QGZVFWFLSA-N 0 3 380.492 3.335 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2nc3ccc(Br)cc3n2CC)CC1 ZINC000180921080 1430116280 /nfs/dbraw/zinc/11/62/80/1430116280.db2.gz WUQRQLNBRXBUCI-UHFFFAOYSA-N 0 3 389.297 3.102 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000181034610 1430178530 /nfs/dbraw/zinc/17/85/30/1430178530.db2.gz SICZDGSYDFKENX-UHFFFAOYSA-N 0 3 399.461 3.289 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181160682 1430232281 /nfs/dbraw/zinc/23/22/81/1430232281.db2.gz FIVVHDVFUBQRNF-HNNXBMFYSA-N 0 3 380.895 3.007 20 30 GGEDHN C[C@@H](N[C@@H](C)C(=O)NC1(C#N)CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000181272609 1430260614 /nfs/dbraw/zinc/26/06/14/1430260614.db2.gz XTVUIKFLGYWPPK-CVEARBPZSA-N 0 3 384.480 3.025 20 30 GGEDHN C[C@H](N[C@@H](C)c1ccc(N2CCOC2=O)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000181272594 1430260699 /nfs/dbraw/zinc/26/06/99/1430260699.db2.gz XTVUIKFLGYWPPK-HOTGVXAUSA-N 0 3 384.480 3.025 20 30 GGEDHN C=CCCC[C@@H](C)NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000181410085 1430290732 /nfs/dbraw/zinc/29/07/32/1430290732.db2.gz LKOXOIBBTCMKLF-NHCUHLMSSA-N 0 3 399.583 3.370 20 30 GGEDHN COC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1)C1CC1 ZINC000181559869 1430320351 /nfs/dbraw/zinc/32/03/51/1430320351.db2.gz WTUYLKILFNDHRQ-IBGZPJMESA-N 0 3 384.455 3.058 20 30 GGEDHN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1)C1CC1 ZINC000181581480 1430323221 /nfs/dbraw/zinc/32/32/21/1430323221.db2.gz RDHUDXQDFQJARS-LJQANCHMSA-N 0 3 384.455 3.058 20 30 GGEDHN C[C@@H](NCc1cccc(OCCN2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181582840 1430323544 /nfs/dbraw/zinc/32/35/44/1430323544.db2.gz WPURDAYKLFXCQB-LJQANCHMSA-N 0 3 395.503 3.151 20 30 GGEDHN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccc(OCC#N)cc1 ZINC000181638346 1430332736 /nfs/dbraw/zinc/33/27/36/1430332736.db2.gz RURGZSDXIHRWQG-XMSQKQJNSA-N 0 3 377.488 3.473 20 30 GGEDHN CN(CCCN1CCN(C)CC1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000181744411 1430351305 /nfs/dbraw/zinc/35/13/05/1430351305.db2.gz CCGYJVDTQWHQFL-UHFFFAOYSA-N 0 3 392.503 3.060 20 30 GGEDHN CC(C)c1nc2n(n1)CCC[C@@H]2NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181882924 1430376998 /nfs/dbraw/zinc/37/69/98/1430376998.db2.gz KCUTVOPQADSODG-FQEVSTJZSA-N 0 3 378.524 3.362 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COc1cccc2cccnc21 ZINC000182247800 1430436801 /nfs/dbraw/zinc/43/68/01/1430436801.db2.gz UJOOCBHJDMUIDI-UHFFFAOYSA-N 0 3 388.471 3.076 20 30 GGEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1)[C@@H]1CCCO1 ZINC000182336166 1430450252 /nfs/dbraw/zinc/45/02/52/1430450252.db2.gz MILOYUNSLGNLBJ-UXHICEINSA-N 0 3 380.492 3.452 20 30 GGEDHN CC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCCO1 ZINC000182352636 1430452517 /nfs/dbraw/zinc/45/25/17/1430452517.db2.gz DHTKTPWAJRCYRV-MOPGFXCFSA-N 0 3 384.480 3.104 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC1 ZINC000182516929 1430481966 /nfs/dbraw/zinc/48/19/66/1430481966.db2.gz BQFBCLOTKUZWCG-MRXNPFEDSA-N 0 3 399.461 3.289 20 30 GGEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]2c2ccccc2)CC1 ZINC000182614740 1430502796 /nfs/dbraw/zinc/50/27/96/1430502796.db2.gz GMEPGBPNEZLXHP-UXHICEINSA-N 0 3 394.544 3.294 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000182723872 1430526902 /nfs/dbraw/zinc/52/69/02/1430526902.db2.gz FBZVGAOFRQLBET-UHFFFAOYSA-N 0 3 390.531 3.467 20 30 GGEDHN CCOC(=O)CC[C@@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182924744 1430573147 /nfs/dbraw/zinc/57/31/47/1430573147.db2.gz XUVPUDUSESFJDL-AZUAARDMSA-N 0 3 383.492 3.109 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1 ZINC000182985705 1430585926 /nfs/dbraw/zinc/58/59/26/1430585926.db2.gz RITQDIMOTCWTGM-QGZVFWFLSA-N 0 3 380.492 3.244 20 30 GGEDHN CC(C)N(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C ZINC000183056076 1430600961 /nfs/dbraw/zinc/60/09/61/1430600961.db2.gz UQHFVBPQZJWPNW-QGZVFWFLSA-N 0 3 386.540 3.475 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)c(Cl)c1 ZINC000183432800 1430710547 /nfs/dbraw/zinc/71/05/47/1430710547.db2.gz FXRZSIFLHSKGIX-UHFFFAOYSA-N 0 3 389.908 3.286 20 30 GGEDHN CCc1ccc([C@H](CN2CCOCC2)NCc2ccc(OCC#N)cc2)cc1 ZINC000183752356 1430786839 /nfs/dbraw/zinc/78/68/39/1430786839.db2.gz YWHMIPSDFOMPTG-QHCPKHFHSA-N 0 3 379.504 3.314 20 30 GGEDHN Cc1cc2c(cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)OCO2 ZINC000183767576 1430789961 /nfs/dbraw/zinc/78/99/61/1430789961.db2.gz CVKLPYMRGZSXLM-UHFFFAOYSA-N 0 3 380.448 3.191 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183850878 1430804876 /nfs/dbraw/zinc/80/48/76/1430804876.db2.gz KDKPHWLQBWUHBD-MOPGFXCFSA-N 0 3 385.508 3.105 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@H](O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000183950816 1430817248 /nfs/dbraw/zinc/81/72/48/1430817248.db2.gz KIZRTNORCXZIEO-QFIPXVFZSA-N 0 3 379.504 3.337 20 30 GGEDHN C[C@@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)c1ccc([N+](=O)[O-])cc1F ZINC000183966159 1430819872 /nfs/dbraw/zinc/81/98/72/1430819872.db2.gz UPSCVGZBDXEANN-OAHLLOKOSA-N 0 3 398.438 3.299 20 30 GGEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000184031523 1430831866 /nfs/dbraw/zinc/83/18/66/1430831866.db2.gz QBVGQABRFJUEMT-FQEVSTJZSA-N 0 3 390.531 3.234 20 30 GGEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000184324016 1430873185 /nfs/dbraw/zinc/87/31/85/1430873185.db2.gz NOXDEKDITAALFN-IRXDYDNUSA-N 0 3 389.569 3.228 20 30 GGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cc3ccccc3s2)CC1 ZINC000184374281 1430880079 /nfs/dbraw/zinc/88/00/79/1430880079.db2.gz OAVBNODKDSIUGF-SJLPKXTDSA-N 0 3 384.549 3.244 20 30 GGEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccccc1Oc1ccccc1C#N ZINC000184399602 1430883152 /nfs/dbraw/zinc/88/31/52/1430883152.db2.gz ZLPQSXMFXXYWMB-SFHVURJKSA-N 0 3 392.503 3.106 20 30 GGEDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000184459742 1430890274 /nfs/dbraw/zinc/89/02/74/1430890274.db2.gz WAXDZRNHXZFDEV-FQEVSTJZSA-N 0 3 390.531 3.234 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000184599006 1430914692 /nfs/dbraw/zinc/91/46/92/1430914692.db2.gz OWWVBIGIMAHVAK-KRWDZBQOSA-N 0 3 396.491 3.225 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 ZINC000184645825 1430928940 /nfs/dbraw/zinc/92/89/40/1430928940.db2.gz FHGCBAHNKWWCCX-UHFFFAOYSA-N 0 3 383.500 3.083 20 30 GGEDHN C=C(C)[C@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652821 1430930981 /nfs/dbraw/zinc/93/09/81/1430930981.db2.gz ZFBJEPMIXYKTLW-JXFKEZNVSA-N 0 3 394.510 3.155 20 30 GGEDHN C=C(C)[C@@H](NC(=O)NC[C@H](C)CN1CCN(CC)CC1)c1ccc(F)c(F)c1 ZINC000184652782 1430931064 /nfs/dbraw/zinc/93/10/64/1430931064.db2.gz ZFBJEPMIXYKTLW-OXJNMPFZSA-N 0 3 394.510 3.155 20 30 GGEDHN CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000184953251 1431029471 /nfs/dbraw/zinc/02/94/71/1431029471.db2.gz AENILTILUSSHBV-AVRDEDQJSA-N 0 3 378.520 3.360 20 30 GGEDHN N#CCCCOc1cccc(CNCc2cccc(N3CCCS3(=O)=O)c2)c1 ZINC000185094261 1431059353 /nfs/dbraw/zinc/05/93/53/1431059353.db2.gz ZEQWEDBFKLUZBY-UHFFFAOYSA-N 0 3 399.516 3.199 20 30 GGEDHN Cc1cc2c(cc1C)[C@@H](C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)CO2 ZINC000185201848 1431083806 /nfs/dbraw/zinc/08/38/06/1431083806.db2.gz OKCKMQOKIYEIAS-NRFANRHFSA-N 0 3 377.488 3.242 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cnn(-c3ccc(OC)cc3)c2CC)CC1 ZINC000185408131 1431138531 /nfs/dbraw/zinc/13/85/31/1431138531.db2.gz HHVGFBWKAPWHLQ-UHFFFAOYSA-N 0 3 382.508 3.214 20 30 GGEDHN Cc1cccc(NC(=O)C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1C#N ZINC000185592781 1431178731 /nfs/dbraw/zinc/17/87/31/1431178731.db2.gz PZYLSCXXSCKHMY-NRFANRHFSA-N 0 3 392.503 3.078 20 30 GGEDHN Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000185592251 1431178816 /nfs/dbraw/zinc/17/88/16/1431178816.db2.gz ARSWFUJFXHTAFM-OAQYLSRUSA-N 0 3 392.503 3.078 20 30 GGEDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC[C@@H](O)COc1ccc(C#N)cc1 ZINC000185640291 1431192504 /nfs/dbraw/zinc/19/25/04/1431192504.db2.gz MVDSIYPFYXZGSB-BLLLJJGKSA-N 0 3 396.413 3.024 20 30 GGEDHN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000186219307 1431355179 /nfs/dbraw/zinc/35/51/79/1431355179.db2.gz LDFNUVXBQRPTSL-RTWAWAEBSA-N 0 3 386.540 3.225 20 30 GGEDHN CCN(C(=O)COc1ccc(C#N)cc1OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186326289 1431383269 /nfs/dbraw/zinc/38/32/69/1431383269.db2.gz CKZDIVCGCGUJGL-FQEVSTJZSA-N 0 3 393.487 3.069 20 30 GGEDHN Cc1ccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)N(C)C)cc1 ZINC000186447616 1431422537 /nfs/dbraw/zinc/42/25/37/1431422537.db2.gz HSMYRCSUTKZUTA-SFHVURJKSA-N 0 3 381.480 3.497 20 30 GGEDHN C=CCC[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000186498853 1431437876 /nfs/dbraw/zinc/43/78/76/1431437876.db2.gz LUHDXZWTKKFHEA-PKTZIBPZSA-N 0 3 378.516 3.272 20 30 GGEDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1[N+](=O)[O-] ZINC000186501583 1431438305 /nfs/dbraw/zinc/43/83/05/1431438305.db2.gz BOBROIHNBSBNBM-UHFFFAOYSA-N 0 3 398.488 3.392 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)CC1 ZINC000186585979 1431460895 /nfs/dbraw/zinc/46/08/95/1431460895.db2.gz YDWCQSMANKTIBP-LJQANCHMSA-N 0 3 379.451 3.088 20 30 GGEDHN C=CCc1ccccc1OC[C@H](O)CN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186941479 1431572267 /nfs/dbraw/zinc/57/22/67/1431572267.db2.gz QCRRGHJHHRCUKI-JOCHJYFZSA-N 0 3 399.506 3.364 20 30 GGEDHN Cc1cnc([C@H](C)CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000187080562 1431608175 /nfs/dbraw/zinc/60/81/75/1431608175.db2.gz RHMRREGEHLCQRA-OAHLLOKOSA-N 0 3 385.537 3.200 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1OCC#N ZINC000187236954 1431660517 /nfs/dbraw/zinc/66/05/17/1431660517.db2.gz VNWPDWJPTSUWEW-XGEGFWMMSA-N 0 3 393.487 3.418 20 30 GGEDHN C=CC[C@@H](C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)c1ccccc1 ZINC000187274005 1431676719 /nfs/dbraw/zinc/67/67/19/1431676719.db2.gz XJRXFUANPOXRJX-GOSISDBHSA-N 0 3 379.460 3.455 20 30 GGEDHN C=C(C)[C@@H](NCCCN1C(=O)CS/C1=C\C(=O)OC)c1ccc(F)c(F)c1 ZINC000187773343 1431810606 /nfs/dbraw/zinc/81/06/06/1431810606.db2.gz TXTWCUAXHOENEC-WSDUQJHMSA-N 0 3 396.459 3.152 20 30 GGEDHN C=C(C)[C@H](NCCCN1C(=O)CS/C1=C\C(=O)OC)c1ccc(F)c(F)c1 ZINC000187773324 1431810645 /nfs/dbraw/zinc/81/06/45/1431810645.db2.gz TXTWCUAXHOENEC-DDYRAIOVSA-N 0 3 396.459 3.152 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccc(N(C)C)c1 ZINC000187993872 1431834370 /nfs/dbraw/zinc/83/43/70/1431834370.db2.gz PXYDJQAFUYMHCL-UHFFFAOYSA-N 0 3 378.520 3.147 20 30 GGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000188684723 1431932196 /nfs/dbraw/zinc/93/21/96/1431932196.db2.gz OGJYVPMETCZYQT-UHFFFAOYSA-N 0 3 399.470 3.499 20 30 GGEDHN COC(=O)c1ccc(NC2CCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000188707905 1431940377 /nfs/dbraw/zinc/94/03/77/1431940377.db2.gz IKZDVGCABMXUEO-UHFFFAOYSA-N 0 3 379.460 3.430 20 30 GGEDHN C[C@@H]1CN(CCCCNC(=O)C#Cc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 ZINC000189063303 1432038051 /nfs/dbraw/zinc/03/80/51/1432038051.db2.gz VXPFIHXUSXEKIS-IYBDPMFKSA-N 0 3 382.426 3.063 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccc(C)o2)c1 ZINC000189371254 1432094725 /nfs/dbraw/zinc/09/47/25/1432094725.db2.gz RAAVORPNVJYEHK-UHFFFAOYSA-N 0 3 399.491 3.072 20 30 GGEDHN COCCc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000189422635 1432105765 /nfs/dbraw/zinc/10/57/65/1432105765.db2.gz SDRGOKWUCYZJLZ-UHFFFAOYSA-N 0 3 380.492 3.343 20 30 GGEDHN COC(=O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(C)c1 ZINC000189597117 1432171063 /nfs/dbraw/zinc/17/10/63/1432171063.db2.gz OIVRGJNYAREZAF-JOCHJYFZSA-N 0 3 395.478 3.474 20 30 GGEDHN COC(=O)[C@](C)(CN[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935438 1432280377 /nfs/dbraw/zinc/28/03/77/1432280377.db2.gz GSEXLHMFHCUPPR-SPLOXXLWSA-N 0 3 399.878 3.259 20 30 GGEDHN COC(=O)[C@](C)(CN[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000189935422 1432280481 /nfs/dbraw/zinc/28/04/81/1432280481.db2.gz GSEXLHMFHCUPPR-LHSJRXKWSA-N 0 3 399.878 3.259 20 30 GGEDHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(SCC#N)c2)C1 ZINC000190581510 1432412643 /nfs/dbraw/zinc/41/26/43/1432412643.db2.gz LPZRAUWOCUYCNY-SFHVURJKSA-N 0 3 380.517 3.291 20 30 GGEDHN COCCOc1ccc([C@@H](C)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000190604427 1432418057 /nfs/dbraw/zinc/41/80/57/1432418057.db2.gz VNGUCWQUVORCOO-VGSWGCGISA-N 0 3 393.487 3.035 20 30 GGEDHN CC[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc2c(c1)OCCO2 ZINC000190617716 1432422483 /nfs/dbraw/zinc/42/24/83/1432422483.db2.gz UYEIPDLTYMMMBI-UXHICEINSA-N 0 3 391.471 3.171 20 30 GGEDHN CC(=O)Nc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1C ZINC000190721150 1432455773 /nfs/dbraw/zinc/45/57/73/1432455773.db2.gz ZXPNRGWFIPQYPT-UHFFFAOYSA-N 0 3 378.476 3.029 20 30 GGEDHN N#CCc1ccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000190844330 1432504853 /nfs/dbraw/zinc/50/48/53/1432504853.db2.gz BHWTXVIVXVTFPG-NRFANRHFSA-N 0 3 378.476 3.165 20 30 GGEDHN N#CC(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1cnc2ccccc2n1 ZINC000190955716 1432537311 /nfs/dbraw/zinc/53/73/11/1432537311.db2.gz DNUYZSZUYPDMNJ-AWEZNQCLSA-N 0 3 384.355 3.214 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000191025975 1432552242 /nfs/dbraw/zinc/55/22/42/1432552242.db2.gz WODBCFYSKCJMCK-FQEVSTJZSA-N 0 3 396.466 3.294 20 30 GGEDHN CC(=O)Nc1cccc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1C ZINC000191159785 1432579047 /nfs/dbraw/zinc/57/90/47/1432579047.db2.gz MCRYANFZRCNPMR-UHFFFAOYSA-N 0 3 378.476 3.029 20 30 GGEDHN Cn1cc(CN2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1C#N ZINC000191195552 1432587715 /nfs/dbraw/zinc/58/77/15/1432587715.db2.gz WMNLBJSVMLCZPM-AWEZNQCLSA-N 0 3 388.397 3.338 20 30 GGEDHN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000191236362 1432599360 /nfs/dbraw/zinc/59/93/60/1432599360.db2.gz PJSADQRUGVUIEU-JXFKEZNVSA-N 0 3 392.503 3.234 20 30 GGEDHN CC(C)(O)CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000191477287 1432668685 /nfs/dbraw/zinc/66/86/85/1432668685.db2.gz DLJGQYOQGNLTSF-UHFFFAOYSA-N 0 3 377.532 3.275 20 30 GGEDHN CCCn1ccnc1CCCN(C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000191512854 1432676513 /nfs/dbraw/zinc/67/65/13/1432676513.db2.gz NTBGNCCLXUOILQ-HXUWFJFHSA-N 0 3 379.508 3.225 20 30 GGEDHN CCOC(=O)[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(O)c1 ZINC000191517626 1432677522 /nfs/dbraw/zinc/67/75/22/1432677522.db2.gz YRDZJXNGOJCQRB-JOCHJYFZSA-N 0 3 393.487 3.122 20 30 GGEDHN N#Cc1ccc(N2CCC[C@@H](NC3(c4ccc(F)cc4)CCOCC3)C2=O)cc1 ZINC000192667942 1432873319 /nfs/dbraw/zinc/87/33/19/1432873319.db2.gz VYZVKMXMMPZAJU-OAQYLSRUSA-N 0 3 393.462 3.488 20 30 GGEDHN CCC(CC)(CN[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(=O)OC ZINC000192700003 1432876868 /nfs/dbraw/zinc/87/68/68/1432876868.db2.gz JZCTXAJHKWDVDM-GFCCVEGCSA-N 0 3 377.510 3.004 20 30 GGEDHN CN(C)[C@H](CNC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000192958319 1432913034 /nfs/dbraw/zinc/91/30/34/1432913034.db2.gz AXRZSQILDBJLEY-HXUWFJFHSA-N 0 3 382.533 3.394 20 30 GGEDHN N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000192980350 1432916307 /nfs/dbraw/zinc/91/63/07/1432916307.db2.gz UXMNUDWYAKPMAP-QGZVFWFLSA-N 0 3 389.908 3.012 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@@H](O)COc3ccccc3Cl)CC2)cc1 ZINC000193146442 1432944728 /nfs/dbraw/zinc/94/47/28/1432944728.db2.gz HCNHWYDFLKZQTQ-HXUWFJFHSA-N 0 3 399.922 3.159 20 30 GGEDHN Cc1nn(Cc2ccccc2)c2sc(C(=O)C(C#N)C(=O)N3CCCC3)cc12 ZINC000193353946 1432984433 /nfs/dbraw/zinc/98/44/33/1432984433.db2.gz PALVHZLIAPMAJP-QGZVFWFLSA-N 0 3 392.484 3.399 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000193371034 1432986787 /nfs/dbraw/zinc/98/67/87/1432986787.db2.gz FUFOHBLFDQVPGY-SWLSCSKDSA-N 0 3 381.270 3.232 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cncc(Br)c1 ZINC000193391514 1432989797 /nfs/dbraw/zinc/98/97/97/1432989797.db2.gz UUOPVAIRVPOECZ-ZDUSSCGKSA-N 0 3 378.613 3.459 20 30 GGEDHN N#CC(C(=O)COc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(Cl)cc1 ZINC000193399224 1432991215 /nfs/dbraw/zinc/99/12/15/1432991215.db2.gz GXPDLUKZVINNJJ-INIZCTEOSA-N 0 3 396.786 3.173 20 30 GGEDHN N#CC(C(=O)COc1ccc2ccc(=O)oc2c1)C(=O)Nc1ccc(Cl)cc1 ZINC000193399217 1432991257 /nfs/dbraw/zinc/99/12/57/1432991257.db2.gz GXPDLUKZVINNJJ-MRXNPFEDSA-N 0 3 396.786 3.173 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccco2)no1)C(=O)Nc1ccc(Cl)cc1 ZINC000193401325 1432991591 /nfs/dbraw/zinc/99/15/91/1432991591.db2.gz PNJOEZXLEYTNIJ-ZDUSSCGKSA-N 0 3 384.779 3.263 20 30 GGEDHN COCCNC(=O)C(C#N)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000193420468 1432995286 /nfs/dbraw/zinc/99/52/86/1432995286.db2.gz JPKCTEMELYEYLL-CYBMUJFWSA-N 0 3 376.865 3.057 20 30 GGEDHN COCCNC(=O)C(C#N)C(=O)CSc1cccc2cccc(Cl)c21 ZINC000193420454 1432995319 /nfs/dbraw/zinc/99/53/19/1432995319.db2.gz JPKCTEMELYEYLL-ZDUSSCGKSA-N 0 3 376.865 3.057 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)COc2ccc(F)cc2Cl)c1 ZINC000193429236 1432997168 /nfs/dbraw/zinc/99/71/68/1432997168.db2.gz PCUMPMQHLFTOBV-AWEZNQCLSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)COc1ccc(F)cc1Cl ZINC000193470458 1433004711 /nfs/dbraw/zinc/00/47/11/1433004711.db2.gz KBWCWJDZMWTDBF-LBPRGKRZSA-N 0 3 376.771 3.214 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)Cc2c(F)cccc2Cl)cc1OC ZINC000193471797 1433004914 /nfs/dbraw/zinc/00/49/14/1433004914.db2.gz VQSGNSGQSOPZAR-ZDUSSCGKSA-N 0 3 390.798 3.386 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000193626550 1433030744 /nfs/dbraw/zinc/03/07/44/1433030744.db2.gz PMCKGXVPASAZPB-GOSISDBHSA-N 0 3 394.560 3.020 20 30 GGEDHN Cc1cc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000193659712 1433035865 /nfs/dbraw/zinc/03/58/65/1433035865.db2.gz PTOPQXQMCWTWEG-UHFFFAOYSA-N 0 3 381.436 3.371 20 30 GGEDHN CCCc1nc(C)c(C(=O)C(C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)s1 ZINC000193707375 1433044422 /nfs/dbraw/zinc/04/44/22/1433044422.db2.gz RLKQESWDRCZWLW-OAHLLOKOSA-N 0 3 398.488 3.067 20 30 GGEDHN CCOc1ccc(C#N)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000193733071 1433049207 /nfs/dbraw/zinc/04/92/07/1433049207.db2.gz GBSCDVSKTDHFIH-UHFFFAOYSA-N 0 3 391.475 3.424 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000194169479 1433130974 /nfs/dbraw/zinc/13/09/74/1433130974.db2.gz BHOPICPMSVHCIQ-OAHLLOKOSA-N 0 3 386.427 3.132 20 30 GGEDHN CCCN1CCN(c2ccc(NC(=O)c3c[nH]c(C#N)c3)c(OCC)c2)CC1 ZINC000194241224 1433146758 /nfs/dbraw/zinc/14/67/58/1433146758.db2.gz AVUYXYSHDFFKOE-UHFFFAOYSA-N 0 3 381.480 3.069 20 30 GGEDHN N#Cc1cccc(OCCN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000194249050 1433148531 /nfs/dbraw/zinc/14/85/31/1433148531.db2.gz AUUUNYJAOXZYIM-UHFFFAOYSA-N 0 3 382.439 3.362 20 30 GGEDHN CCN1CCC[C@@H](NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000194349149 1433165080 /nfs/dbraw/zinc/16/50/80/1433165080.db2.gz FGEMYIVRGQKTSQ-HXUWFJFHSA-N 0 3 391.475 3.416 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccccn2)n1 ZINC000194604877 1433204559 /nfs/dbraw/zinc/20/45/59/1433204559.db2.gz RNPOVXRZLPDGTF-UHFFFAOYSA-N 0 3 391.500 3.281 20 30 GGEDHN COc1ccc(-n2cnnc2SCC(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000194844336 1433246434 /nfs/dbraw/zinc/24/64/34/1433246434.db2.gz BQMXHWICRSQDQU-CQSZACIVSA-N 0 3 385.474 3.009 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccccn2)n1 ZINC000195079660 1433289844 /nfs/dbraw/zinc/28/98/44/1433289844.db2.gz WNIJOQIWJFEUDF-UHFFFAOYSA-N 0 3 391.500 3.281 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000195141945 1433298616 /nfs/dbraw/zinc/29/86/16/1433298616.db2.gz YENMWKLDEJWVJK-UHFFFAOYSA-N 0 3 379.489 3.214 20 30 GGEDHN CC(C)Oc1ccccc1CC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000195369235 1433323329 /nfs/dbraw/zinc/32/33/29/1433323329.db2.gz ZELIWUGCIMFZGJ-UHFFFAOYSA-N 0 3 379.504 3.478 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000195465105 1433333056 /nfs/dbraw/zinc/33/30/56/1433333056.db2.gz NZKDSAWUEHKLBW-RXVVDRJESA-N 0 3 388.552 3.028 20 30 GGEDHN CN1CCN(CCCNC(=O)Nc2ccc(F)cc2C#N)[C@@H](c2ccccc2)C1 ZINC000195662850 1433344048 /nfs/dbraw/zinc/34/40/48/1433344048.db2.gz HYSKFCOYMGECQS-OAQYLSRUSA-N 0 3 395.482 3.198 20 30 GGEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000237503519 1433407136 /nfs/dbraw/zinc/40/71/36/1433407136.db2.gz HTASSUPSGOYOSE-DLBZAZTESA-N 0 3 393.487 3.486 20 30 GGEDHN C[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000237705609 1433418127 /nfs/dbraw/zinc/41/81/27/1433418127.db2.gz QXVZMVDDJRHOBE-JKSUJKDBSA-N 0 3 387.505 3.079 20 30 GGEDHN N#Cc1ccc(N2CCC(NCc3csc(-c4ccccn4)n3)CC2)nc1 ZINC000237851730 1433428864 /nfs/dbraw/zinc/42/88/64/1433428864.db2.gz YGQBZIKKOVYQSJ-UHFFFAOYSA-N 0 3 376.489 3.230 20 30 GGEDHN N#C[C@@H]1CC[C@@H](OC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000245618845 1433491579 /nfs/dbraw/zinc/49/15/79/1433491579.db2.gz NDUUXBHQVWFYHB-JHJVBQTASA-N 0 3 377.238 3.037 20 30 GGEDHN N#C[C@@H]1CC[C@H](OC(=O)C2CCN(c3ccccc3Br)C2=O)C1 ZINC000245618841 1433491610 /nfs/dbraw/zinc/49/16/10/1433491610.db2.gz NDUUXBHQVWFYHB-FRRDWIJNSA-N 0 3 377.238 3.037 20 30 GGEDHN C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000245885995 1433534127 /nfs/dbraw/zinc/53/41/27/1433534127.db2.gz NVYPYWRRKCKPBV-ROUUACIJSA-N 0 3 386.565 3.339 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000246000349 1433555871 /nfs/dbraw/zinc/55/58/71/1433555871.db2.gz YDECFKWQKNLMCT-UXHICEINSA-N 0 3 393.535 3.318 20 30 GGEDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000246409755 1433608823 /nfs/dbraw/zinc/60/88/23/1433608823.db2.gz QELLNJGUICPNHU-HZPDHXFCSA-N 0 3 388.537 3.010 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000246486935 1433619778 /nfs/dbraw/zinc/61/97/78/1433619778.db2.gz DABJAGPEIYOPMN-HRCADAONSA-N 0 3 383.275 3.349 20 30 GGEDHN N#Cc1ccc(OC[C@H](O)CN2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000247326480 1433706967 /nfs/dbraw/zinc/70/69/67/1433706967.db2.gz YACGLFXLCWHFBH-GGAORHGYSA-N 0 3 380.488 3.022 20 30 GGEDHN C[C@H](C(=O)N(C)C1CCCCC1)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000248046658 1433766016 /nfs/dbraw/zinc/76/60/16/1433766016.db2.gz MPKSLWWXFPYEKH-LJQANCHMSA-N 0 3 382.552 3.246 20 30 GGEDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248777667 1433821983 /nfs/dbraw/zinc/82/19/83/1433821983.db2.gz USBLUWLMUOYSHL-DSKINZAPSA-N 0 3 396.535 3.070 20 30 GGEDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000248777678 1433822054 /nfs/dbraw/zinc/82/20/54/1433822054.db2.gz USBLUWLMUOYSHL-QFUCXCTJSA-N 0 3 396.535 3.070 20 30 GGEDHN C[C@H](N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000249002241 1433832098 /nfs/dbraw/zinc/83/20/98/1433832098.db2.gz IOELCSHAKOKMCV-QGTPRVQTSA-N 0 3 375.900 3.491 20 30 GGEDHN C[C@H](N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000249002246 1433832106 /nfs/dbraw/zinc/83/21/06/1433832106.db2.gz IOELCSHAKOKMCV-WBAXXEDZSA-N 0 3 375.900 3.491 20 30 GGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)Sc2nncn2C)cc1 ZINC000249707303 1433849335 /nfs/dbraw/zinc/84/93/35/1433849335.db2.gz BJMUCVYFEDTCHC-HEHGZKQESA-N 0 3 385.493 3.157 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000249870257 1433853391 /nfs/dbraw/zinc/85/33/91/1433853391.db2.gz JPCIGHQYFJXYEI-MSOLQXFVSA-N 0 3 388.533 3.500 20 30 GGEDHN N#CC(C(=O)NC1CCCC1)C(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000250574205 1433856923 /nfs/dbraw/zinc/85/69/23/1433856923.db2.gz YNEKQLSVSIOCTL-XHSDSOJGSA-N 0 3 375.266 3.320 20 30 GGEDHN O=C(CON=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H]2CCCC[C@H]21 ZINC000255337531 1433880776 /nfs/dbraw/zinc/88/07/76/1433880776.db2.gz ZUFFYSHVNIQILI-TZIWHRDSSA-N 0 3 385.508 3.055 20 30 GGEDHN Cc1c([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cnn1-c1cccc(Cl)c1 ZINC000255337835 1433880799 /nfs/dbraw/zinc/88/07/99/1433880799.db2.gz OGOUNFBROFFSPR-XEXOPBTESA-N 0 3 399.882 3.011 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]\[C@H]2CC(=O)N(CCOc3ccccc3)C2)c([O-])c1 ZINC000255503335 1433883772 /nfs/dbraw/zinc/88/37/72/1433883772.db2.gz PXJRDECPOCQOJJ-UZXDDYOISA-N 0 3 395.503 3.337 20 30 GGEDHN Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000255710747 1433888255 /nfs/dbraw/zinc/88/82/55/1433888255.db2.gz LMPDILUTVULDCQ-RBUKOAKNSA-N 0 3 395.503 3.448 20 30 GGEDHN C[C@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccc1OCc1ccccc1 ZINC000255842719 1433890000 /nfs/dbraw/zinc/89/00/00/1433890000.db2.gz JVCYVRQVHOEUOX-AWZKZOKMSA-N 0 3 391.471 3.443 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000262995580 1433974433 /nfs/dbraw/zinc/97/44/33/1433974433.db2.gz OYJBGZLBXOHMHY-UHFFFAOYSA-N 0 3 392.381 3.325 20 30 GGEDHN N#Cc1cnc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(Cl)c1 ZINC000263770926 1434031536 /nfs/dbraw/zinc/03/15/36/1434031536.db2.gz JXYCAMPVLUGVJU-QGZVFWFLSA-N 0 3 396.926 3.040 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000264356869 1434101484 /nfs/dbraw/zinc/10/14/84/1434101484.db2.gz FJNJFCRBIAGCTG-MRXNPFEDSA-N 0 3 384.524 3.436 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000264360678 1434102180 /nfs/dbraw/zinc/10/21/80/1434102180.db2.gz OOGVFPSRKJUCHQ-HDICACEKSA-N 0 3 386.540 3.068 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000264367653 1434103314 /nfs/dbraw/zinc/10/33/14/1434103314.db2.gz IDTCKENJAHYZRR-QGZVFWFLSA-N 0 3 382.512 3.010 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(OCC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000264374013 1434104195 /nfs/dbraw/zinc/10/41/95/1434104195.db2.gz RWQCUWYWCVKNQA-UHFFFAOYSA-N 0 3 392.456 3.164 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2cccc(OC)c2)C[C@H]2CCCO2)CC1 ZINC000264401328 1434107805 /nfs/dbraw/zinc/10/78/05/1434107805.db2.gz ZSXXGDNAMKJJIZ-OAQYLSRUSA-N 0 3 387.524 3.036 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)CC1 ZINC000264428908 1434111515 /nfs/dbraw/zinc/11/15/15/1434111515.db2.gz TWCUSNVNQJCDSU-CYBMUJFWSA-N 0 3 377.439 3.442 20 30 GGEDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cc1ccc(OCC#N)cc1 ZINC000264625156 1434136393 /nfs/dbraw/zinc/13/63/93/1434136393.db2.gz IGGHEFHEULWYGP-IFMALSPDSA-N 0 3 375.472 3.274 20 30 GGEDHN N#Cc1ccc(CNC(=O)CN(Cc2ccccc2)CC2CCOCC2)cc1 ZINC000264767708 1434153269 /nfs/dbraw/zinc/15/32/69/1434153269.db2.gz ZYYOWCONQUMNLI-UHFFFAOYSA-N 0 3 377.488 3.103 20 30 GGEDHN Cc1ncc(CO)c(/C=N/[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1O ZINC000265032820 1434176706 /nfs/dbraw/zinc/17/67/06/1434176706.db2.gz GOUCDUHCNGHOJC-PIICOGJCSA-N 0 3 393.409 3.300 20 30 GGEDHN Cc1ncc(CO)c(/C=N/[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[O-] ZINC000265032820 1434176708 /nfs/dbraw/zinc/17/67/08/1434176708.db2.gz GOUCDUHCNGHOJC-PIICOGJCSA-N 0 3 393.409 3.300 20 30 GGEDHN Cc1ncc(CO)c(/C=N/[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[O-] ZINC000265032820 1434176711 /nfs/dbraw/zinc/17/67/11/1434176711.db2.gz GOUCDUHCNGHOJC-PIICOGJCSA-N 0 3 393.409 3.300 20 30 GGEDHN N#CCc1cccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)c1 ZINC000265768721 1434263835 /nfs/dbraw/zinc/26/38/35/1434263835.db2.gz NVSNTNFZBKGZOH-UHFFFAOYSA-N 0 3 381.451 3.165 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000265869075 1434275424 /nfs/dbraw/zinc/27/54/24/1434275424.db2.gz VCRYRCLTGVZCDT-UHFFFAOYSA-N 0 3 395.459 3.002 20 30 GGEDHN Cc1cccc(N2CCN(CCC(=O)Nc3cccc(OCC#N)c3)CC2)c1 ZINC000266805488 1434377294 /nfs/dbraw/zinc/37/72/94/1434377294.db2.gz GCIDBFONPGFOPP-UHFFFAOYSA-N 0 3 378.476 3.048 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(-c3ccccc3OC)no2)CC1 ZINC000266823455 1434379099 /nfs/dbraw/zinc/37/90/99/1434379099.db2.gz XTYWJTNCUDCAGF-OAHLLOKOSA-N 0 3 399.495 3.146 20 30 GGEDHN C=CCOc1cccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC000266952385 1434392204 /nfs/dbraw/zinc/39/22/04/1434392204.db2.gz HJHJUOGBWJERGX-DENIHFKCSA-N 0 3 395.503 3.256 20 30 GGEDHN Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000267050480 1434403454 /nfs/dbraw/zinc/40/34/54/1434403454.db2.gz JTGSNJIJFIUYJL-UHFFFAOYSA-N 0 3 377.448 3.173 20 30 GGEDHN C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC000267097669 1434407428 /nfs/dbraw/zinc/40/74/28/1434407428.db2.gz VYDNTFGYFKTKGQ-UHFFFAOYSA-N 0 3 384.524 3.145 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(c3c(C#N)nnc4ccccc43)CC2)C[C@@H](C)O1 ZINC000267421616 1434431170 /nfs/dbraw/zinc/43/11/70/1434431170.db2.gz UPXKKQDBKBZYEL-IAGOWNOFSA-N 0 3 379.508 3.217 20 30 GGEDHN CCn1nc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C1CC1 ZINC000267496211 1434440916 /nfs/dbraw/zinc/44/09/16/1434440916.db2.gz XFOKSBXTCNVKBW-UHFFFAOYSA-N 0 3 380.496 3.248 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2csc(CCc3ccccc3)n2)CC1 ZINC000267665243 1434453736 /nfs/dbraw/zinc/45/37/36/1434453736.db2.gz YUYIFZGAERINKM-UHFFFAOYSA-N 0 3 384.549 3.378 20 30 GGEDHN C[C@@H]1CN(CCCCNC(=O)CCCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000268010548 1434486716 /nfs/dbraw/zinc/48/67/16/1434486716.db2.gz PFOMKCZSXWGLGQ-RTBURBONSA-N 0 3 387.524 3.113 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000268533065 1434530779 /nfs/dbraw/zinc/53/07/79/1434530779.db2.gz FTKSOZVDANLDSE-OAHLLOKOSA-N 0 3 383.496 3.310 20 30 GGEDHN N#Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)c(Cl)c1 ZINC000269158591 1434598874 /nfs/dbraw/zinc/59/88/74/1434598874.db2.gz SXLSNJWCZDGIRP-UHFFFAOYSA-N 0 3 398.894 3.490 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2Cn2c(C)nc3ccccc32)CC1 ZINC000270218146 1434714140 /nfs/dbraw/zinc/71/41/40/1434714140.db2.gz MGFJCCWIMJDMSN-LJQANCHMSA-N 0 3 381.524 3.169 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000270268452 1434718208 /nfs/dbraw/zinc/71/82/08/1434718208.db2.gz SUSONWDAABHCBX-IBGZPJMESA-N 0 3 381.524 3.251 20 30 GGEDHN N#CCc1ccc(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)cc1 ZINC000270348285 1434725237 /nfs/dbraw/zinc/72/52/37/1434725237.db2.gz SZDBNJZQAHMTAK-UHFFFAOYSA-N 0 3 381.451 3.165 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)Cc1cccc(OCC#N)c1)c1cccc(OC)c1 ZINC000270476979 1434736938 /nfs/dbraw/zinc/73/69/38/1434736938.db2.gz OPYYIJIKUHHFFI-JOCHJYFZSA-N 0 3 395.503 3.339 20 30 GGEDHN C=C[C@H](CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)c1ccccc1 ZINC000270821081 1434778569 /nfs/dbraw/zinc/77/85/69/1434778569.db2.gz IEVGNZDNYCRZHI-YMPZKCBVSA-N 0 3 378.516 3.346 20 30 GGEDHN COc1ccc(CN(C)C[C@@H](O)COCc2ccccc2)cc1OCCCC#N ZINC000271112574 1434802643 /nfs/dbraw/zinc/80/26/43/1434802643.db2.gz AIHVWNSQPGBFEZ-OAQYLSRUSA-N 0 3 398.503 3.387 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271434332 1434824580 /nfs/dbraw/zinc/82/45/80/1434824580.db2.gz BRRGQLNIFOAYOI-OXJNMPFZSA-N 0 3 375.513 3.111 20 30 GGEDHN C[C@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(C#N)cc1 ZINC000271653547 1434842042 /nfs/dbraw/zinc/84/20/42/1434842042.db2.gz JOLFHEURWHNHHJ-KRWDZBQOSA-N 0 3 394.544 3.396 20 30 GGEDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC1(c2cccc(C#N)c2)CC1 ZINC000271741920 1434847398 /nfs/dbraw/zinc/84/73/98/1434847398.db2.gz CLVZFOYUBOJEFI-UHFFFAOYSA-N 0 3 380.404 3.083 20 30 GGEDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837902 1434853990 /nfs/dbraw/zinc/85/39/90/1434853990.db2.gz GFLCAPBSRWUXCT-NQZBTDCJSA-N 0 3 385.414 3.490 20 30 GGEDHN C#CCCN1CCN(C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032245 1434867423 /nfs/dbraw/zinc/86/74/23/1434867423.db2.gz PHGUVPREFNHVLV-JWQCQUIFSA-N 0 3 392.543 3.103 20 30 GGEDHN C#CCCN1CCN(C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032246 1434867466 /nfs/dbraw/zinc/86/74/66/1434867466.db2.gz PHGUVPREFNHVLV-LOSJGSFVSA-N 0 3 392.543 3.103 20 30 GGEDHN Cc1cc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)nn1CCC#N ZINC000272046136 1434868420 /nfs/dbraw/zinc/86/84/20/1434868420.db2.gz GOMDEJJMAAUEBN-UHFFFAOYSA-N 0 3 380.496 3.234 20 30 GGEDHN Cc1cc(NC(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)nn1CCC#N ZINC000272052121 1434868999 /nfs/dbraw/zinc/86/89/99/1434868999.db2.gz HPPNRGSTUZVLAH-LJQANCHMSA-N 0 3 380.496 3.234 20 30 GGEDHN Cc1cc(NC(=O)NCC(C)(C)N2CCc3ccccc3C2)nn1CCC#N ZINC000272067737 1434870079 /nfs/dbraw/zinc/87/00/79/1434870079.db2.gz JUGHLWXCNJBSQM-UHFFFAOYSA-N 0 3 380.496 3.064 20 30 GGEDHN CC(C)C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139230 1434874313 /nfs/dbraw/zinc/87/43/13/1434874313.db2.gz UJCRCRDGSPIFMK-LEWJYISDSA-N 0 3 386.540 3.225 20 30 GGEDHN CC(C)C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCO1 ZINC000272139231 1434874346 /nfs/dbraw/zinc/87/43/46/1434874346.db2.gz UJCRCRDGSPIFMK-NHCUHLMSSA-N 0 3 386.540 3.225 20 30 GGEDHN CN1CC[C@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000272380253 1434892203 /nfs/dbraw/zinc/89/22/03/1434892203.db2.gz BRQYKYPGZJMHRP-UGKGYDQZSA-N 0 3 375.472 3.303 20 30 GGEDHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2cccc(OCC#N)c2)cc1 ZINC000272681213 1434922273 /nfs/dbraw/zinc/92/22/73/1434922273.db2.gz RYPRGPNREMFTMP-QFIPXVFZSA-N 0 3 393.487 3.093 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(c3cc(C)[nH]n3)CC2)c(OC)c1 ZINC000273016925 1434950551 /nfs/dbraw/zinc/95/05/51/1434950551.db2.gz RMNZQBCMFRJDRD-LJQANCHMSA-N 0 3 385.508 3.075 20 30 GGEDHN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN[C@]2(C)CCO[C@@H]2C2CC2)c1C#N ZINC000273017050 1434950770 /nfs/dbraw/zinc/95/07/70/1434950770.db2.gz CXTJTBBEMMJZKT-IFMALSPDSA-N 0 3 396.491 3.104 20 30 GGEDHN N#Cc1c(NC(=O)CCN[C@@H](CO)c2ccc(F)cc2)sc2c1CCCC2 ZINC000273092866 1434960012 /nfs/dbraw/zinc/96/00/12/1434960012.db2.gz JYLMIPMATFKYSO-KRWDZBQOSA-N 0 3 387.480 3.289 20 30 GGEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273392087 1434985751 /nfs/dbraw/zinc/98/57/51/1434985751.db2.gz FJMYIFGICYZQOK-NHCUHLMSSA-N 0 3 381.451 3.166 20 30 GGEDHN CN1CCCN(c2ccc(-c3noc(/C=C/c4ccccc4C#N)n3)cn2)CC1 ZINC000273794972 1435015126 /nfs/dbraw/zinc/01/51/26/1435015126.db2.gz HFXDTHHMLTXTGG-CSKARUKUSA-N 0 3 386.459 3.316 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2nc3cccc(Cl)c3n2C)CC1 ZINC000274878092 1435100451 /nfs/dbraw/zinc/10/04/51/1435100451.db2.gz YURFMDWSCUVAGT-UHFFFAOYSA-N 0 3 375.904 3.066 20 30 GGEDHN N#CCCCOc1cccnc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000274885153 1435101176 /nfs/dbraw/zinc/10/11/76/1435101176.db2.gz GNUUUTVDEBGVRE-SFHVURJKSA-N 0 3 379.464 3.160 20 30 GGEDHN C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](O)C(C)(C)C3)sc2C1 ZINC000275414338 1435137833 /nfs/dbraw/zinc/13/78/33/1435137833.db2.gz GPLPENCEZKICKI-CXAGYDPISA-N 0 3 375.538 3.166 20 30 GGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@H](O)C(C)(C)C3)sc2C1 ZINC000275414346 1435137878 /nfs/dbraw/zinc/13/78/78/1435137878.db2.gz GPLPENCEZKICKI-GUYCJALGSA-N 0 3 375.538 3.166 20 30 GGEDHN COc1cc(C#N)ccc1OCCN[C@H](Cc1nc(C)no1)c1ccccc1 ZINC000277184604 1435275360 /nfs/dbraw/zinc/27/53/60/1435275360.db2.gz LMFMUHVIKHHXSQ-GOSISDBHSA-N 0 3 378.432 3.211 20 30 GGEDHN C[C@@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2cccn2)cc1 ZINC000277204587 1435278091 /nfs/dbraw/zinc/27/80/91/1435278091.db2.gz JUNLGZIVWJORNC-VGOFRKELSA-N 0 3 385.471 3.196 20 30 GGEDHN C=CCN1CCC(NC(=O)N(Cc2ccc(F)cc2)C2CCOCC2)CC1 ZINC000277210617 1435278984 /nfs/dbraw/zinc/27/89/84/1435278984.db2.gz HCISCTZJPSUWEQ-UHFFFAOYSA-N 0 3 375.488 3.167 20 30 GGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277756234 1435327467 /nfs/dbraw/zinc/32/74/67/1435327467.db2.gz JUAMLASORMAZRY-KBPBESRZSA-N 0 3 397.445 3.339 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(Oc3ccccc3F)c2)CC1 ZINC000278388942 1435386428 /nfs/dbraw/zinc/38/64/28/1435386428.db2.gz DOPQXEBKSBJUHF-UHFFFAOYSA-N 0 3 384.455 3.463 20 30 GGEDHN CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000278587319 1435402748 /nfs/dbraw/zinc/40/27/48/1435402748.db2.gz YUSDPFDFIASHNL-INIZCTEOSA-N 0 3 386.496 3.062 20 30 GGEDHN N#CCCn1cc(CNCc2ccnc(N3CCCC3)c2)c(-c2ccncc2)n1 ZINC000278614444 1435405927 /nfs/dbraw/zinc/40/59/27/1435405927.db2.gz JBATVJZWJNYZKC-UHFFFAOYSA-N 0 3 387.491 3.144 20 30 GGEDHN C=CCSc1ccccc1NC(=O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000278629111 1435407254 /nfs/dbraw/zinc/40/72/54/1435407254.db2.gz KTHNKGIZCMKOBS-KRWDZBQOSA-N 0 3 389.565 3.088 20 30 GGEDHN COCc1cc(CNCc2cn(CCC#N)nc2-c2ccncc2)ccc1F ZINC000278675482 1435413253 /nfs/dbraw/zinc/41/32/53/1435413253.db2.gz ONQFKHFHOZQCJS-UHFFFAOYSA-N 0 3 379.439 3.434 20 30 GGEDHN N#CCCn1cc(CN[C@H](CCCO)c2ccccc2)c(-c2ccncc2)n1 ZINC000278731351 1435418162 /nfs/dbraw/zinc/41/81/62/1435418162.db2.gz UKUCOQOJMVXIIZ-OAQYLSRUSA-N 0 3 375.476 3.462 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)CC1 ZINC000278753704 1435420245 /nfs/dbraw/zinc/42/02/45/1435420245.db2.gz UZOHIMZAUBNVJW-UHFFFAOYSA-N 0 3 389.927 3.494 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(c2ncc3n2CCCC3)CC1 ZINC000278850387 1435431142 /nfs/dbraw/zinc/43/11/42/1435431142.db2.gz KEXNTAZJYYECKL-UHFFFAOYSA-N 0 3 380.492 3.358 20 30 GGEDHN CC[C@H](NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1ccc(C#N)cc1 ZINC000278884161 1435435323 /nfs/dbraw/zinc/43/53/23/1435435323.db2.gz YAYCYCMEMVCPLT-IBGZPJMESA-N 0 3 387.480 3.478 20 30 GGEDHN C=C(C)[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000279117301 1435461986 /nfs/dbraw/zinc/46/19/86/1435461986.db2.gz WOPOFGZYDFYIDV-FOIQADDNSA-N 0 3 393.478 3.477 20 30 GGEDHN C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1n1ccnc1 ZINC000279490811 1435505348 /nfs/dbraw/zinc/50/53/48/1435505348.db2.gz XYSHYDDCBGBBKT-YLJYHZDGSA-N 0 3 375.480 3.138 20 30 GGEDHN C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)n1 ZINC000279555273 1435512572 /nfs/dbraw/zinc/51/25/72/1435512572.db2.gz RSOGVQMMOLMDAJ-JOCHJYFZSA-N 0 3 393.535 3.193 20 30 GGEDHN C#CCn1ccc(CN(CC)C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)n1 ZINC000279555276 1435512788 /nfs/dbraw/zinc/51/27/88/1435512788.db2.gz RSOGVQMMOLMDAJ-QFIPXVFZSA-N 0 3 393.535 3.193 20 30 GGEDHN CC(C)(C#N)c1ccc(C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000279996006 1435574122 /nfs/dbraw/zinc/57/41/22/1435574122.db2.gz CZENANGNGNNIDF-UHFFFAOYSA-N 0 3 391.515 3.374 20 30 GGEDHN C[C@H]1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000280381550 1435649588 /nfs/dbraw/zinc/64/95/88/1435649588.db2.gz MRMZGZAVLVJACA-WMZHIEFXSA-N 0 3 386.499 3.364 20 30 GGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000280671010 1435700843 /nfs/dbraw/zinc/70/08/43/1435700843.db2.gz PWSRPILODNRACT-GHTZIAJQSA-N 0 3 386.540 3.240 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C ZINC000280671022 1435700872 /nfs/dbraw/zinc/70/08/72/1435700872.db2.gz PWSRPILODNRACT-RXVVDRJESA-N 0 3 386.540 3.240 20 30 GGEDHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000280854742 1435730945 /nfs/dbraw/zinc/73/09/45/1435730945.db2.gz AZGBFRYGSAJJFP-KXBFYZLASA-N 0 3 381.467 3.019 20 30 GGEDHN Cc1ccc([C@H](NCCCC2(C#N)CCOCC2)[C@H](C)S(C)(=O)=O)cc1 ZINC000281410018 1435807833 /nfs/dbraw/zinc/80/78/33/1435807833.db2.gz RCAGFRNWRZYELS-PKOBYXMFSA-N 0 3 378.538 3.159 20 30 GGEDHN NC(=NOCc1cnc2ccccc2c1)c1ccccc1CN1CCC(O)CC1 ZINC000281414577 1435808053 /nfs/dbraw/zinc/80/80/53/1435808053.db2.gz RJIFWKJECYAEPI-UHFFFAOYSA-N 0 3 390.487 3.029 20 30 GGEDHN COc1cc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)ccc1C#N ZINC000281657289 1435817334 /nfs/dbraw/zinc/81/73/34/1435817334.db2.gz KLLNQOZYTNBRPS-IAGOWNOFSA-N 0 3 393.487 3.106 20 30 GGEDHN COc1cc(CN[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)ccc1C#N ZINC000281718005 1435819413 /nfs/dbraw/zinc/81/94/13/1435819413.db2.gz PBFJOYMBBJHJQU-OAHLLOKOSA-N 0 3 379.460 3.075 20 30 GGEDHN C=CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000282523436 1435850145 /nfs/dbraw/zinc/85/01/45/1435850145.db2.gz GRIDVBHFAUBNEW-UHFFFAOYSA-N 0 3 387.915 3.086 20 30 GGEDHN CC(C)N1CCC(N(C)S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000282761127 1435859429 /nfs/dbraw/zinc/85/94/29/1435859429.db2.gz GZTFHWLZZOXMMB-UHFFFAOYSA-N 0 3 389.443 3.070 20 30 GGEDHN CCN1CCN([C@H]2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)CC1 ZINC000282879549 1435864342 /nfs/dbraw/zinc/86/43/42/1435864342.db2.gz QYWWLHNQTRIWJE-KRWDZBQOSA-N 0 3 383.927 3.285 20 30 GGEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000283794820 1435925375 /nfs/dbraw/zinc/92/53/75/1435925375.db2.gz UQCKEFVZHCYVFT-URVUXULASA-N 0 3 387.487 3.107 20 30 GGEDHN CC(C)Oc1ccc([C@H](C)NCCNC(=O)C2N=CC=CC2=O)cc1Cl ZINC000284281702 1436009728 /nfs/dbraw/zinc/00/97/28/1436009728.db2.gz JVSNQGUIOBGPIM-UNQMGURYSA-N 0 3 377.872 3.304 20 30 GGEDHN C[C@@H](NCCC[NH2+][C@H](C)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC000824590280 1442016581 /nfs/dbraw/zinc/01/65/81/1442016581.db2.gz AYRANGDILKTCTI-HZPDHXFCSA-N 0 3 375.480 3.130 20 30 GGEDHN C[C@@H](NCCC[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC000824590280 1442016585 /nfs/dbraw/zinc/01/65/85/1442016585.db2.gz AYRANGDILKTCTI-HZPDHXFCSA-N 0 3 375.480 3.130 20 30 GGEDHN C[C@H](CC[N@H+](C)Cc1cccc(-c2nnn[n-]2)c1)N(C)Cc1cccc(C#N)c1 ZINC000820243102 1450491150 /nfs/dbraw/zinc/49/11/50/1450491150.db2.gz VLOJWSVEPQTWJD-QGZVFWFLSA-N 0 3 389.507 3.081 20 30 GGEDHN C[C@H](CC[N@@H+](C)Cc1cccc(-c2nnn[n-]2)c1)N(C)Cc1cccc(C#N)c1 ZINC000820243102 1450491155 /nfs/dbraw/zinc/49/11/55/1450491155.db2.gz VLOJWSVEPQTWJD-QGZVFWFLSA-N 0 3 389.507 3.081 20 30 GGEDHN Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001164868159 721049820 /nfs/dbraw/zinc/04/98/20/721049820.db2.gz NJCYJVSTWUPHLB-MSOLQXFVSA-N 0 3 397.910 3.098 20 30 GGEDHN Cc1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164868161 721049908 /nfs/dbraw/zinc/04/99/08/721049908.db2.gz NJCYJVSTWUPHLB-ROUUACIJSA-N 0 3 397.910 3.098 20 30 GGEDHN N#Cc1cc2c(nc1N1CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164903110 721553626 /nfs/dbraw/zinc/55/36/26/721553626.db2.gz AMDBBXHRJTZRIA-PZJWPPBQSA-N 0 3 392.478 3.313 20 30 GGEDHN N#Cc1c2c(cnc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164911322 721567435 /nfs/dbraw/zinc/56/74/35/721567435.db2.gz YXQAHKWOGRSFOB-ICSRJNTNSA-N 0 3 392.478 3.313 20 30 GGEDHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)ncc1C#N ZINC001164905483 721699383 /nfs/dbraw/zinc/69/93/83/721699383.db2.gz JNMZHPUQYKMLSS-HXUWFJFHSA-N 0 3 383.446 3.394 20 30 GGEDHN Cc1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)ccc1C#N ZINC001164906944 721713672 /nfs/dbraw/zinc/71/36/72/721713672.db2.gz PBSAILQYPYHKCH-FQEVSTJZSA-N 0 3 383.446 3.394 20 30 GGEDHN Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164979899 722102075 /nfs/dbraw/zinc/10/20/75/722102075.db2.gz IFZBYZGVKNUABA-IEBWSBKVSA-N 0 3 397.910 3.037 20 30 GGEDHN N#Cc1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164973860 722110991 /nfs/dbraw/zinc/11/09/91/722110991.db2.gz HNLFECKAVAJTMM-GMAHTHKFSA-N 0 3 399.498 3.229 20 30 GGEDHN Cc1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1C#N ZINC001164971110 722155621 /nfs/dbraw/zinc/15/56/21/722155621.db2.gz AQTVUQRVBQOHEE-XLIONFOSSA-N 0 3 397.910 3.037 20 30 GGEDHN C=CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743523 945279763 /nfs/dbraw/zinc/27/97/63/945279763.db2.gz LBXQHHRKIOHQRZ-UHFFFAOYSA-N 0 3 394.454 3.331 20 30 GGEDHN C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819743523 945279770 /nfs/dbraw/zinc/27/97/70/945279770.db2.gz LBXQHHRKIOHQRZ-UHFFFAOYSA-N 0 3 394.454 3.331 20 30 GGEDHN C=CC[C@H]1[N@H+]([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329691 947424750 /nfs/dbraw/zinc/42/47/50/947424750.db2.gz NMBYTUAYLVEXCY-RBUKOAKNSA-N 0 3 394.523 3.429 20 30 GGEDHN C=CC[C@H]1[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329691 947424758 /nfs/dbraw/zinc/42/47/58/947424758.db2.gz NMBYTUAYLVEXCY-RBUKOAKNSA-N 0 3 394.523 3.429 20 30 GGEDHN C=CC[C@@H]1[N@H+]([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329688 947425802 /nfs/dbraw/zinc/42/58/02/947425802.db2.gz NMBYTUAYLVEXCY-OALUTQOASA-N 0 3 394.523 3.429 20 30 GGEDHN C=CC[C@@H]1[N@@H+]([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCCC1(C)C ZINC001573329688 947425806 /nfs/dbraw/zinc/42/58/06/947425806.db2.gz NMBYTUAYLVEXCY-OALUTQOASA-N 0 3 394.523 3.429 20 30 GGEDHN CC[C@](C)(C(=O)[O-])[N@@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778480 981777842 /nfs/dbraw/zinc/77/78/42/981777842.db2.gz SSEZJERNWVXSFW-JLTOFOAXSA-N 0 3 385.489 3.438 20 30 GGEDHN CC[C@](C)(C(=O)[O-])[N@H+](CC(=O)C(C#N)c1nc2ccccc2s1)CC1CC1 ZINC001594778480 981777848 /nfs/dbraw/zinc/77/78/48/981777848.db2.gz SSEZJERNWVXSFW-JLTOFOAXSA-N 0 3 385.489 3.438 20 30 GGEDHN N#Cc1ccc(Br)c(CN[C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC001177829682 1126150787 /nfs/dbraw/zinc/15/07/87/1126150787.db2.gz OREHTWMGMVJGJD-MRXNPFEDSA-N 0 3 384.277 3.495 20 30 GGEDHN COc1ccc(C[C@](C)(CO)NCc2cc(C#N)ccc2Br)cc1 ZINC001198218928 1126154862 /nfs/dbraw/zinc/15/48/62/1126154862.db2.gz LHZCQTDGKLQUOA-LJQANCHMSA-N 0 3 389.293 3.413 20 30 GGEDHN COc1ccc(C[C@@](C)(CO)NCc2ccc(C#N)cc2Br)cc1 ZINC001620624544 1126241900 /nfs/dbraw/zinc/24/19/00/1126241900.db2.gz ZJSDZKRRCXQKQV-IBGZPJMESA-N 0 3 389.293 3.413 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1cccnc1 ZINC000019314178 519228849 /nfs/dbraw/zinc/22/88/49/519228849.db2.gz XUJNJYCYRQGHLI-AWEZNQCLSA-N 0 3 396.501 3.260 20 30 GGEDHN O=C(CCSc1ccc(Br)cc1)NC[C@@]1(O)CN2CCC1CC2 ZINC000328592089 534765593 /nfs/dbraw/zinc/76/55/93/534765593.db2.gz YLDQYYHVIGQWDV-QGZVFWFLSA-N 0 3 399.354 3.345 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000115844436 564199445 /nfs/dbraw/zinc/19/94/45/564199445.db2.gz JPPBHHNZCLFSMT-IIAWOOMASA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000023410341 564324165 /nfs/dbraw/zinc/32/41/65/564324165.db2.gz XUKRKNINYBKRPS-CXAGYDPISA-N 0 3 375.266 3.411 20 30 GGEDHN CN(CCCc1[nH]nc(N)c1C#N)Cc1ccc(Br)cc1Cl ZINC000121401058 564367959 /nfs/dbraw/zinc/36/79/59/564367959.db2.gz QURJEITWEMLNCV-UHFFFAOYSA-N 0 3 382.693 3.344 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(I)cc2)nc(C)n1 ZINC000041574319 564434640 /nfs/dbraw/zinc/43/46/40/564434640.db2.gz HVPOMTXVJUROOO-CYBMUJFWSA-N 0 3 377.185 3.188 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2cccc(I)c2)nc(C)n1 ZINC000041574230 564434867 /nfs/dbraw/zinc/43/48/67/564434867.db2.gz GPIOKZWRFHQCNI-ZDUSSCGKSA-N 0 3 377.185 3.188 20 30 GGEDHN N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CC[NH+](C2CCCCC2)CC1 ZINC000124428848 564481242 /nfs/dbraw/zinc/48/12/42/564481242.db2.gz KFVKCCCKIJBPHS-UHFFFAOYSA-N 0 3 381.929 3.287 20 30 GGEDHN CN(CCOc1ccc(C#N)cc1)[C@H](CO)c1cccc(Br)c1 ZINC000125536110 564517472 /nfs/dbraw/zinc/51/74/72/564517472.db2.gz BVUPIWBIUODWBV-GOSISDBHSA-N 0 3 375.266 3.365 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125633287 564520971 /nfs/dbraw/zinc/52/09/71/564520971.db2.gz CACYBNGJPKRMFQ-ROUUACIJSA-N 0 3 375.266 3.020 20 30 GGEDHN COc1ccc(C)cc1C(=O)C(C(=S)[N-]CCSC)[n+]1ccccc1 ZINC000131305700 564708324 /nfs/dbraw/zinc/70/83/24/564708324.db2.gz BNEDQTSCQLJRRC-UHFFFAOYSA-O 0 3 375.539 3.183 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN(CCCO)Cc1cccc(Cl)c1 ZINC000134286742 564799273 /nfs/dbraw/zinc/79/92/73/564799273.db2.gz FUGCRLXTQPQZPQ-UHFFFAOYSA-N 0 3 377.897 3.486 20 30 GGEDHN N#Cc1ccc(NC[C@@H](O)CN2CCc3ccccc3C2)c(Br)c1 ZINC000134600963 564809335 /nfs/dbraw/zinc/80/93/35/564809335.db2.gz ZLABEVFUMAEKFH-QGZVFWFLSA-N 0 3 386.293 3.152 20 30 GGEDHN CN(Cc1ccc(Br)cc1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000068845899 564828766 /nfs/dbraw/zinc/82/87/66/564828766.db2.gz AANUJZYZRWWLHR-QGZVFWFLSA-N 0 3 375.266 3.192 20 30 GGEDHN C=CCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000136695566 564853364 /nfs/dbraw/zinc/85/33/64/564853364.db2.gz MTHPSYQTRNXOPJ-UHFFFAOYSA-N 0 3 381.314 3.375 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000152504510 564962705 /nfs/dbraw/zinc/96/27/05/564962705.db2.gz BELKLYNXXWFKJU-UHFFFAOYSA-N 0 3 396.285 3.057 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)CC1 ZINC000106040346 564976885 /nfs/dbraw/zinc/97/68/85/564976885.db2.gz FUDZMROREUKNLS-CQSZACIVSA-N 0 3 381.314 3.373 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(C)c(I)c2)CC1 ZINC000106034528 564977000 /nfs/dbraw/zinc/97/70/00/564977000.db2.gz RXEMHWQCNCYNAH-UHFFFAOYSA-N 0 3 398.288 3.370 20 30 GGEDHN CC(C)(Cc1ccc(Br)cc1)NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000109818669 565031807 /nfs/dbraw/zinc/03/18/07/565031807.db2.gz OTULVIRJLWZWGW-SFHVURJKSA-N 0 3 378.314 3.168 20 30 GGEDHN CCN(C[C@@H](C)C#N)C(=O)CNC(C)(C)Cc1ccc(Br)cc1 ZINC000111253031 565052283 /nfs/dbraw/zinc/05/22/83/565052283.db2.gz QFQYTBAOHAMMAA-AWEZNQCLSA-N 0 3 380.330 3.368 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)[C@H](C)Oc2ccccc2Br)CC1 ZINC000112293752 565061930 /nfs/dbraw/zinc/06/19/30/565061930.db2.gz ZJEKBDUTOZRVML-AWEZNQCLSA-N 0 3 381.314 3.373 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCOCc2ccc(Cl)cc2Cl)CC1 ZINC000183594161 565081256 /nfs/dbraw/zinc/08/12/56/565081256.db2.gz DXDSSXVSBDLLCG-UHFFFAOYSA-N 0 3 386.323 3.460 20 30 GGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000267989832 565136579 /nfs/dbraw/zinc/13/65/79/565136579.db2.gz RAIMZCUYCKVITN-KSSFIOAISA-N 0 3 378.567 3.497 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089525 565140274 /nfs/dbraw/zinc/14/02/74/565140274.db2.gz ZUVXHBYRMMEFKT-PXAZEXFGSA-N 0 3 386.323 3.365 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000268089531 565141078 /nfs/dbraw/zinc/14/10/78/565141078.db2.gz ZUVXHBYRMMEFKT-YVEFUNNKSA-N 0 3 386.323 3.365 20 30 GGEDHN CC(C)(C#N)CCN1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000157724207 565142423 /nfs/dbraw/zinc/14/24/23/565142423.db2.gz RCOUEDKRMXAXBZ-UHFFFAOYSA-N 0 3 379.302 3.434 20 30 GGEDHN N#C[C@H]1CCC[C@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC000185860980 565225276 /nfs/dbraw/zinc/22/52/76/565225276.db2.gz WMPWHBDNNXEXDQ-YOEHRIQHSA-N 0 3 378.314 3.458 20 30 GGEDHN C[C@@H]1CN(CC2CCN(c3ncc(Br)cc3C#N)CC2)C[C@@H](C)O1 ZINC000295431211 565265531 /nfs/dbraw/zinc/26/55/31/565265531.db2.gz FSAMINHXRXQKAA-ZIAGYGMSSA-N 0 3 393.329 3.041 20 30 GGEDHN CN(C[C@H](O)c1cccc(Br)c1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000298462997 565415041 /nfs/dbraw/zinc/41/50/41/565415041.db2.gz RSAYIPGWQKXXAT-MSOLQXFVSA-N 0 3 375.266 3.020 20 30 GGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCCCCC#N ZINC000171448079 565432577 /nfs/dbraw/zinc/43/25/77/565432577.db2.gz VKOQNPOZUSXQFH-UHFFFAOYSA-N 0 3 381.318 3.216 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cc(F)ccc2Br)CC1 ZINC000171554701 565437023 /nfs/dbraw/zinc/43/70/23/565437023.db2.gz VIVUSYANQHLQDX-UHFFFAOYSA-N 0 3 384.293 3.428 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1 ZINC000171704484 565445603 /nfs/dbraw/zinc/44/56/03/565445603.db2.gz HWLYUVDAEPKLLP-CYBMUJFWSA-N 0 3 396.329 3.468 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCc2ccc(F)c(Br)c2)CC1 ZINC000171720568 565446578 /nfs/dbraw/zinc/44/65/78/565446578.db2.gz YBBKFOOUZBJIHA-UHFFFAOYSA-N 0 3 384.293 3.080 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCc3c2cccc3Br)CC1 ZINC000171733416 565446937 /nfs/dbraw/zinc/44/69/37/565446937.db2.gz RGQUISFUKWDKFH-QGZVFWFLSA-N 0 3 378.314 3.386 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 ZINC000171717947 565447167 /nfs/dbraw/zinc/44/71/67/565447167.db2.gz VXDZKGNOKWOMDY-CQSZACIVSA-N 0 3 381.314 3.291 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(OC)c(OC)cc2Br)CC1 ZINC000171741753 565448077 /nfs/dbraw/zinc/44/80/77/565448077.db2.gz QHNYMBWGGFLPMH-UHFFFAOYSA-N 0 3 398.301 3.238 20 30 GGEDHN C=CCN1CCC(NC(=O)NCCCc2ccc(Br)cc2F)CC1 ZINC000172185601 565470611 /nfs/dbraw/zinc/47/06/11/565470611.db2.gz YEDHDTJFUWNTPM-UHFFFAOYSA-N 0 3 398.320 3.470 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCC(c2ccccc2Br)CC1 ZINC000189804624 565490125 /nfs/dbraw/zinc/49/01/25/565490125.db2.gz DWFJGDCBYQDUHH-UHFFFAOYSA-N 0 3 378.314 3.391 20 30 GGEDHN CCN1CCN(Cc2ccccc2CNc2snc(Cl)c2C#N)CC1 ZINC000301567668 565496437 /nfs/dbraw/zinc/49/64/37/565496437.db2.gz ZOOFHCCLLNQEBD-UHFFFAOYSA-N 0 3 375.929 3.418 20 30 GGEDHN N#Cc1cc(Br)ccc1NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000302106433 565530425 /nfs/dbraw/zinc/53/04/25/565530425.db2.gz XTMJKKBFKYEFOP-ZWKOTPCHSA-N 0 3 386.293 3.368 20 30 GGEDHN N#Cc1cc(Br)ccc1NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000302106431 565530813 /nfs/dbraw/zinc/53/08/13/565530813.db2.gz XTMJKKBFKYEFOP-QZTJIDSGSA-N 0 3 386.293 3.368 20 30 GGEDHN O=C(NCCN[C@@H](c1ccc(Br)s1)C1CC1)C1N=CC=CC1=O ZINC000190629517 565547514 /nfs/dbraw/zinc/54/75/14/565547514.db2.gz UGVWXBXSYIJELE-PQDJCJPTSA-N 0 3 396.310 3.078 20 30 GGEDHN C[C@@H]1CN(C2CCOCC2)CCN1Cc1cc(C#N)ccc1Br ZINC000278371860 565554231 /nfs/dbraw/zinc/55/42/31/565554231.db2.gz CBGOIDTZZDALQL-CQSZACIVSA-N 0 3 378.314 3.006 20 30 GGEDHN CN(Cc1cccc(Br)c1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000390616745 565557405 /nfs/dbraw/zinc/55/74/05/565557405.db2.gz YICHYUJWPSPVAX-KRWDZBQOSA-N 0 3 375.266 3.192 20 30 GGEDHN N#C[C@@H]1CC[C@@H](N2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000278752948 565576700 /nfs/dbraw/zinc/57/67/00/565576700.db2.gz XEKMXGNEGZTWFG-VNHYZAJKSA-N 0 3 377.286 3.187 20 30 GGEDHN Cc1ccc(Br)cc1NC(=O)CCNCc1cc(C#N)n(C)c1 ZINC000191039645 565579565 /nfs/dbraw/zinc/57/95/65/565579565.db2.gz MQUHLUAJFFAYAW-UHFFFAOYSA-N 0 3 375.270 3.086 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000408155252 565597214 /nfs/dbraw/zinc/59/72/14/565597214.db2.gz QCDJPIAHHVCWRX-FMKPAKJESA-N 0 3 381.929 3.238 20 30 GGEDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000408311015 565602735 /nfs/dbraw/zinc/60/27/35/565602735.db2.gz VZSZGFJJMIPDIU-FMKPAKJESA-N 0 3 381.929 3.238 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc(Br)cn2)CC1 ZINC000279817252 565635013 /nfs/dbraw/zinc/63/50/13/565635013.db2.gz GDSKPKMFFUTISX-CYBMUJFWSA-N 0 3 381.318 3.245 20 30 GGEDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N[C@H]1COc2cc(F)c(Br)cc21 ZINC000328670533 565638046 /nfs/dbraw/zinc/63/80/46/565638046.db2.gz MSQRCCSTOJIOEI-NKZPBKNFSA-N 0 3 398.276 3.008 20 30 GGEDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000329176894 565657896 /nfs/dbraw/zinc/65/78/96/565657896.db2.gz MYCLANISMJJBLD-LBPRGKRZSA-N 0 3 381.270 3.499 20 30 GGEDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc2c(c(Br)c1)OCO2 ZINC000329176893 565658157 /nfs/dbraw/zinc/65/81/57/565658157.db2.gz MYCLANISMJJBLD-GFCCVEGCSA-N 0 3 381.270 3.499 20 30 GGEDHN C#CCCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000192125520 565661216 /nfs/dbraw/zinc/66/12/16/565661216.db2.gz GIPSPEVHTGWUEY-UHFFFAOYSA-N 0 3 393.325 3.212 20 30 GGEDHN CC(C(=O)NCC1(c2cccc(Cl)c2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330103616 565692179 /nfs/dbraw/zinc/69/21/79/565692179.db2.gz GJXQIZQYCJRCFQ-ZDUSSCGKSA-N 0 3 385.913 3.310 20 30 GGEDHN CC(C(=O)NCC1(c2ccc(Cl)cc2)CC1)S(=O)(=O)C1CCOCC1 ZINC000330156448 565694693 /nfs/dbraw/zinc/69/46/93/565694693.db2.gz PEJHACPYYYFLHB-CYBMUJFWSA-N 0 3 385.913 3.310 20 30 GGEDHN NC(=O)c1ccc(NC(=O)CCN2CCS[C@@H]3COCC[C@H]32)cc1Cl ZINC000330182421 565696818 /nfs/dbraw/zinc/69/68/18/565696818.db2.gz OYTCURWUCTWYGY-HUUCEWRRSA-N 0 3 383.901 3.408 20 30 GGEDHN COc1cc(Br)cc(NC(=O)NC[C@]2(N(C)C)CCSC2)c1 ZINC000330566117 565711788 /nfs/dbraw/zinc/71/17/88/565711788.db2.gz LZTWQKSRCDWSQW-OAHLLOKOSA-N 0 3 388.331 3.221 20 30 GGEDHN C=CCN1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2Br)CC1 ZINC000175742677 565720427 /nfs/dbraw/zinc/72/04/27/565720427.db2.gz MEEJKTNTZIUECT-CQSZACIVSA-N 0 3 396.329 3.166 20 30 GGEDHN Cc1csc(C(=O)NC[C@H](O)CN2CCC(C)CC2)c1Br ZINC000331110028 565739223 /nfs/dbraw/zinc/73/92/23/565739223.db2.gz BKEBIJFSIUIYAT-LBPRGKRZSA-N 0 3 375.332 3.216 20 30 GGEDHN COCCN1CCC(NC(=O)N[C@@H](C)c2ccc(Br)s2)CC1 ZINC000331235086 565747948 /nfs/dbraw/zinc/74/79/48/565747948.db2.gz SRGFWAKFAAOSSJ-NSHDSACASA-N 0 3 390.347 3.186 20 30 GGEDHN COc1cc(Cl)c(Cl)cc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000331273421 565750842 /nfs/dbraw/zinc/75/08/42/565750842.db2.gz ONNHCFLCOVVWSD-UHFFFAOYSA-N 0 3 389.327 3.354 20 30 GGEDHN COCCCN1CCC(NC(=O)c2nc(C)sc2Br)CC1 ZINC000331352068 565756753 /nfs/dbraw/zinc/75/67/53/565756753.db2.gz OMAXSFOGFHKERF-UHFFFAOYSA-N 0 3 376.320 3.020 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cc(Br)cc3[nH]cnc32)CC1 ZINC000331812723 565785968 /nfs/dbraw/zinc/78/59/68/565785968.db2.gz LNOAIQVGVADFJJ-UHFFFAOYSA-N 0 3 377.286 3.096 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)C(=O)Nc2ccc(SC)c(Cl)c2)CC1 ZINC000176840492 565806986 /nfs/dbraw/zinc/80/69/86/565806986.db2.gz KBZPMLIHYLBOAC-UHFFFAOYSA-N 0 3 381.929 3.157 20 30 GGEDHN N#Cc1ccc(CNCCCNC(=O)c2cccc(Br)c2)s1 ZINC000176959693 565818747 /nfs/dbraw/zinc/81/87/47/565818747.db2.gz XRXRODBTAMEFRW-UHFFFAOYSA-N 0 3 378.295 3.292 20 30 GGEDHN CN(C)CCN(Cc1ccc(Br)cc1)c1ncc(C#N)cc1F ZINC000413186060 565838148 /nfs/dbraw/zinc/83/81/48/565838148.db2.gz APGFHCSTIDFBOO-UHFFFAOYSA-N 0 3 377.261 3.423 20 30 GGEDHN Cc1cc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cccc(CO)c2)c(C)s1 ZINC000284460621 565854915 /nfs/dbraw/zinc/85/49/15/565854915.db2.gz QRZXONFAJVJGPZ-UHFFFAOYSA-O 0 3 375.539 3.226 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000285211794 565894967 /nfs/dbraw/zinc/89/49/67/565894967.db2.gz BSKIYSGXJAHZKN-KRWDZBQOSA-N 0 3 393.329 3.245 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)CC1 ZINC000178774912 565936721 /nfs/dbraw/zinc/93/67/21/565936721.db2.gz GGJUIGLMAWZFMZ-ZDUSSCGKSA-N 0 3 398.320 3.469 20 30 GGEDHN N#Cc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1Br ZINC000287309110 566009814 /nfs/dbraw/zinc/00/98/14/566009814.db2.gz UCVHWLCWRXEYOS-UHFFFAOYSA-N 0 3 375.270 3.189 20 30 GGEDHN [NH3+]CC[C@@H](NC(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F)C(F)(F)F ZINC000415986439 566023527 /nfs/dbraw/zinc/02/35/27/566023527.db2.gz ANYINABTCCZJKI-PSASIEDQSA-N 0 3 379.251 3.147 20 30 GGEDHN C[C@@H]1C[C@H](NCCNC(=O)C2N=CC=CC2=O)c2cccc(Br)c21 ZINC000180866814 566095414 /nfs/dbraw/zinc/09/54/14/566095414.db2.gz ZPVQEZMOFAESRQ-AJORXLENSA-N 0 3 390.281 3.113 20 30 GGEDHN CN(CCn1cc(Br)cn1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000288910348 566096530 /nfs/dbraw/zinc/09/65/30/566096530.db2.gz UAWFVHJZACHNOU-UHFFFAOYSA-N 0 3 399.296 3.050 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCNc2cccc(Br)c2)CC1 ZINC000182721063 566220191 /nfs/dbraw/zinc/22/01/91/566220191.db2.gz MJMKNWCUYQMIJV-UHFFFAOYSA-N 0 3 395.345 3.201 20 30 GGEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CCCN(C2CCC2)C1 ZINC000183018480 566235045 /nfs/dbraw/zinc/23/50/45/566235045.db2.gz PZVXBKNVMHZKBY-ZFWWWQNUSA-N 0 3 381.929 3.143 20 30 GGEDHN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCCN(C2CCC2)C1 ZINC000183024555 566235146 /nfs/dbraw/zinc/23/51/46/566235146.db2.gz GGBAUDXVXQNUJA-DZGCQCFKSA-N 0 3 381.929 3.143 20 30 GGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)Nc2ccc(S(C)(=O)=O)cc2)s1 ZINC000419840570 566250343 /nfs/dbraw/zinc/25/03/43/566250343.db2.gz SIMNJZKACVRZMX-ZDUSSCGKSA-N 0 3 377.491 3.090 20 30 GGEDHN C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCN2CCC[C@H]2C1 ZINC000508938114 566251740 /nfs/dbraw/zinc/25/17/40/566251740.db2.gz GVXJSIKKPDRFFV-INIZCTEOSA-N 0 3 388.313 3.178 20 30 GGEDHN N#Cc1csc(CNCCOc2ccc(I)cc2)c1 ZINC000509436965 566305186 /nfs/dbraw/zinc/30/51/86/566305186.db2.gz FRQUXJMZODWTOQ-UHFFFAOYSA-N 0 3 384.242 3.393 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2c(F)ccc(Br)c2OC)CC1 ZINC000648773365 566310847 /nfs/dbraw/zinc/31/08/47/566310847.db2.gz FILAONMZSKYSET-UHFFFAOYSA-N 0 3 385.277 3.367 20 30 GGEDHN C[C@@H]1C[C@H](N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCO1 ZINC000420935224 566330481 /nfs/dbraw/zinc/33/04/81/566330481.db2.gz JNTWABDUZMAGMS-OLMNPRSZSA-N 0 3 378.314 3.199 20 30 GGEDHN N#Cc1ccccc1OC[C@@H](O)CNCCOc1cccc(Cl)c1Cl ZINC000600717949 566359262 /nfs/dbraw/zinc/35/92/62/566359262.db2.gz DKVZCERYCJMHLO-AWEZNQCLSA-N 0 3 381.259 3.273 20 30 GGEDHN N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H]2CCCOC2)CC1 ZINC000576609579 566362117 /nfs/dbraw/zinc/36/21/17/566362117.db2.gz HIFKWRNDLGYOFM-QAPCUYQASA-N 0 3 378.314 3.058 20 30 GGEDHN N#Cc1ccc(CNC[C@@H](CO)Cc2cccc(Br)c2)cc1F ZINC000421384616 566371513 /nfs/dbraw/zinc/37/15/13/566371513.db2.gz KJHIPIPBGHKZKA-HNNXBMFYSA-N 0 3 377.257 3.401 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000576952524 566392929 /nfs/dbraw/zinc/39/29/29/566392929.db2.gz LWFZWHMMBXRBDQ-ZDUSSCGKSA-N 0 3 382.302 3.477 20 30 GGEDHN COc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1Br ZINC000626302697 566399316 /nfs/dbraw/zinc/39/93/16/566399316.db2.gz KVLIXQYVKUCEDV-LBPRGKRZSA-N 0 3 389.253 3.266 20 30 GGEDHN CN(CCc1cccc(Br)c1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000463426823 566410982 /nfs/dbraw/zinc/41/09/82/566410982.db2.gz RDYYPNLKFBRRFZ-GOSISDBHSA-N 0 3 389.293 3.235 20 30 GGEDHN CC(C)[C@@](C)(NCC(=O)NC1(C#N)CCC1)c1ccc(Br)cc1 ZINC000558117290 566450687 /nfs/dbraw/zinc/45/06/87/566450687.db2.gz PCDOZEBPRLGKBC-QGZVFWFLSA-N 0 3 378.314 3.472 20 30 GGEDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc(C#N)cc1 ZINC000558256377 566461333 /nfs/dbraw/zinc/46/13/33/566461333.db2.gz IFTVSCLRQBGOMM-WMLDXEAASA-N 0 3 375.519 3.124 20 30 GGEDHN C[C@@H](CC1(C#N)CCOCC1)NC[C@@H](O)COc1cccc(Cl)c1Cl ZINC000602519986 566475858 /nfs/dbraw/zinc/47/58/58/566475858.db2.gz CIMNCSDGVDUASE-UONOGXRCSA-N 0 3 387.307 3.422 20 30 GGEDHN N#Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1Br ZINC000448674528 566485891 /nfs/dbraw/zinc/48/58/91/566485891.db2.gz HGSDGBGSEZQPFD-UHFFFAOYSA-N 0 3 398.304 3.499 20 30 GGEDHN N#Cc1cccc(CNC2CCN(Cc3cccc(Br)c3)CC2)n1 ZINC000602697254 566488289 /nfs/dbraw/zinc/48/82/89/566488289.db2.gz WJDFMZIPWKBPRV-UHFFFAOYSA-N 0 3 385.309 3.470 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc3c(ccc(F)c3Br)[nH]2)CC1 ZINC000448923868 566512493 /nfs/dbraw/zinc/51/24/93/566512493.db2.gz WFVIQTPMBJOQNN-UHFFFAOYSA-N 0 3 380.261 3.450 20 30 GGEDHN COc1ccc(Br)cc1[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424109440 566512798 /nfs/dbraw/zinc/51/27/98/566512798.db2.gz AKUJZIQLYAPUOE-HUUCEWRRSA-N 0 3 380.286 3.142 20 30 GGEDHN N#CCCC[C@H](N)C(=O)Nc1ncc(Cc2cccc(Br)c2)s1 ZINC000424102030 566513127 /nfs/dbraw/zinc/51/31/27/566513127.db2.gz AFFMILWMUHJYRX-AWEZNQCLSA-N 0 3 393.310 3.456 20 30 GGEDHN N#CCCC[C@H](N)C(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000424106726 566513247 /nfs/dbraw/zinc/51/32/47/566513247.db2.gz SVALBUKLJYNAKD-INIZCTEOSA-N 0 3 384.307 3.179 20 30 GGEDHN C[C@@H]1CSc2ccc(Br)cc2[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424135359 566513904 /nfs/dbraw/zinc/51/39/04/566513904.db2.gz JIDKLFPDMITXQX-DGFSRKRXSA-N 0 3 382.327 3.369 20 30 GGEDHN N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1Cc1cccc(Br)c1 ZINC000424203714 566519804 /nfs/dbraw/zinc/51/98/04/566519804.db2.gz RMRBEKZDFFEJIT-IAGOWNOFSA-N 0 3 378.314 3.394 20 30 GGEDHN C=CCn1c(SC[C@H](O)CN(C)C2CC2)nnc1-c1ccc(Cl)cc1 ZINC000578476042 566525369 /nfs/dbraw/zinc/52/53/69/566525369.db2.gz UUFGLZDIOCYTJC-MRXNPFEDSA-N 0 3 378.929 3.332 20 30 GGEDHN CN(Cc1cccc(Br)c1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000604081478 566553454 /nfs/dbraw/zinc/55/34/54/566553454.db2.gz VZILRHXIWJNICH-SFHVURJKSA-N 0 3 389.293 3.387 20 30 GGEDHN C[C@H](CNCCS(=O)(=O)c1ccc(C#N)cc1)Oc1ccc(Cl)cc1 ZINC000578880996 566562885 /nfs/dbraw/zinc/56/28/85/566562885.db2.gz NODRPXDVBVYEAK-CQSZACIVSA-N 0 3 378.881 3.042 20 30 GGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCC(C)(C)C#N ZINC000512916058 566569068 /nfs/dbraw/zinc/56/90/68/566569068.db2.gz AQFCBOCDIWGIJU-UHFFFAOYSA-N 0 3 381.318 3.072 20 30 GGEDHN C=CC[C@@H](CO)CNCc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000539223807 566569583 /nfs/dbraw/zinc/56/95/83/566569583.db2.gz MNIFMEOIFCUCOQ-SNVBAGLBSA-N 0 3 380.229 3.333 20 30 GGEDHN N#Cc1csc(CNC[C@H](CO)Cc2cc(Br)ccc2F)c1 ZINC000449603301 566582160 /nfs/dbraw/zinc/58/21/60/566582160.db2.gz VUHCVOHKLSHHGN-GFCCVEGCSA-N 0 3 383.286 3.462 20 30 GGEDHN COc1ccc(Br)cc1C[C@H](CO)CNCc1cc(C#N)cs1 ZINC000449681561 566591165 /nfs/dbraw/zinc/59/11/65/566591165.db2.gz MBFKBAJHXRHIIV-ZDUSSCGKSA-N 0 3 395.322 3.332 20 30 GGEDHN C=CC[C@H](CO)CNCc1cc(Br)cc(Br)c1OC ZINC000540323593 566645204 /nfs/dbraw/zinc/64/52/04/566645204.db2.gz INUHMKVSPILYJM-JTQLQIEISA-N 0 3 393.119 3.494 20 30 GGEDHN C=CC[C@H](CO)CN[C@@H]1CCCOc2ccc(I)cc21 ZINC000540397465 566648866 /nfs/dbraw/zinc/64/88/66/566648866.db2.gz IZXGGRSEHDTVLI-SWLSCSKDSA-N 0 3 387.261 3.279 20 30 GGEDHN COC(=O)[C@@H]1CN([C@H]2CC[C@H](C#N)C2)C[C@H]1c1ccc(Br)cc1 ZINC000425505656 566650910 /nfs/dbraw/zinc/65/09/10/566650910.db2.gz BVRSLTDRZSAPJC-OSMBCOQSSA-N 0 3 377.282 3.330 20 30 GGEDHN CC(C)(C)N1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 ZINC000580034491 566660119 /nfs/dbraw/zinc/66/01/19/566660119.db2.gz TXFWKTRGWQHICJ-UHFFFAOYSA-N 0 3 394.313 3.032 20 30 GGEDHN COc1cccc(CN(CCN(C)C)c2ncc(Br)cc2C#N)c1 ZINC000450478900 566676951 /nfs/dbraw/zinc/67/69/51/566676951.db2.gz JYDFFMQXTRGOCB-UHFFFAOYSA-N 0 3 389.297 3.293 20 30 GGEDHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425838907 566679280 /nfs/dbraw/zinc/67/92/80/566679280.db2.gz FFFXTZRZZQAUFQ-DOTOQJQBSA-N 0 3 393.329 3.215 20 30 GGEDHN N#Cc1ccc([C@@H](NCCc2c[nH]c3cccc(Br)c23)C(N)=O)cc1 ZINC000514979633 566682632 /nfs/dbraw/zinc/68/26/32/566682632.db2.gz IBWDGKVVOVOBTI-GOSISDBHSA-N 0 3 397.276 3.161 20 30 GGEDHN C[C@@H](Cc1c(Cl)cccc1Cl)NCCS(=O)(=O)c1ccc(C#N)cn1 ZINC000515166597 566696374 /nfs/dbraw/zinc/69/63/74/566696374.db2.gz WKLBYUKGCPANOO-LBPRGKRZSA-N 0 3 398.315 3.255 20 30 GGEDHN C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000580510195 566700360 /nfs/dbraw/zinc/70/03/60/566700360.db2.gz CBPCVWZMOCHTKS-GDBMZVCRSA-N 0 3 390.325 3.264 20 30 GGEDHN C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC000515559474 566720767 /nfs/dbraw/zinc/72/07/67/566720767.db2.gz QMEWMURDCIUFAD-QWHCGFSZSA-N 0 3 393.333 3.141 20 30 GGEDHN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(Br)cn2CC)n1 ZINC000608865807 566739283 /nfs/dbraw/zinc/73/92/83/566739283.db2.gz VFESYMHHURVMFF-JTQLQIEISA-N 0 3 396.266 3.394 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN[C@@H]2C[C@H]2c2ccc(Br)s2)cc1 ZINC000516050501 566744511 /nfs/dbraw/zinc/74/45/11/566744511.db2.gz VDAQMRBDVHEGTQ-NWANDNLSSA-N 0 3 393.306 3.268 20 30 GGEDHN CC(C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000469033093 566754081 /nfs/dbraw/zinc/75/40/81/566754081.db2.gz VRHHYYBYMHFKRP-SJCJKPOMSA-N 0 3 376.865 3.109 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCc1cc(OC)ns1 ZINC000631012290 566771167 /nfs/dbraw/zinc/77/11/67/566771167.db2.gz MLEONWJWHJPNMN-UHFFFAOYSA-N 0 3 379.555 3.250 20 30 GGEDHN CC(C#N)C(=O)N1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000609921378 566796181 /nfs/dbraw/zinc/79/61/81/566796181.db2.gz OVJJBPRFBPBYDS-SNVBAGLBSA-N 0 3 390.203 3.276 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN[C@@H](CO)c1ccc(Br)cc1 ZINC000542912742 566837857 /nfs/dbraw/zinc/83/78/57/566837857.db2.gz RVFIYENZJBXVCX-AWEZNQCLSA-N 0 3 394.294 3.034 20 30 GGEDHN C=CC[C@H](CO)CNCc1cc(Br)cc(Br)c1N ZINC000470306101 566862127 /nfs/dbraw/zinc/86/21/27/566862127.db2.gz DNFYRVMPTHZOHO-VIFPVBQESA-N 0 3 378.108 3.068 20 30 GGEDHN N#Cc1ccc2c(c1)[C@@H](NCCNC(=O)c1cccc(Br)c1)CC2 ZINC000518445207 566885089 /nfs/dbraw/zinc/88/50/89/566885089.db2.gz CFHNCPQDQOEPOK-SFHVURJKSA-N 0 3 384.277 3.328 20 30 GGEDHN CCN1CCN(CCCCNC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 ZINC000611094465 566888978 /nfs/dbraw/zinc/88/89/78/566888978.db2.gz KYKVDFBSNKGHKF-UHFFFAOYSA-N 0 3 383.323 3.013 20 30 GGEDHN C=CCSCCN[C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000543754865 566907853 /nfs/dbraw/zinc/90/78/53/566907853.db2.gz XHIXDEPAQQOFEO-HNNXBMFYSA-N 0 3 380.535 3.328 20 30 GGEDHN COc1ccc(Br)c(CNC(=O)C(C#N)Cc2ccc(C#N)cc2)c1 ZINC000470841452 566909751 /nfs/dbraw/zinc/90/97/51/566909751.db2.gz OERYAFZGOJGJAI-HNNXBMFYSA-N 0 3 398.260 3.328 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc(Br)cc2)cc1 ZINC000470866542 566910880 /nfs/dbraw/zinc/91/08/80/566910880.db2.gz NFOZTJJIYREYGU-INIZCTEOSA-N 0 3 398.260 3.198 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOc2ccc(Br)cc2)cc1 ZINC000470866544 566911138 /nfs/dbraw/zinc/91/11/38/566911138.db2.gz NFOZTJJIYREYGU-MRXNPFEDSA-N 0 3 398.260 3.198 20 30 GGEDHN N#Cc1ccc(CC(C#N)C(=O)NCc2ccc(Br)c(F)c2)cc1 ZINC000470888996 566913276 /nfs/dbraw/zinc/91/32/76/566913276.db2.gz OOSRBBPXWOXMFX-OAHLLOKOSA-N 0 3 386.224 3.459 20 30 GGEDHN C[C@H](NC[C@H](O)COc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000611389555 566914299 /nfs/dbraw/zinc/91/42/99/566914299.db2.gz ZKJMUJACIQXXMB-GUYCJALGSA-N 0 3 375.266 3.411 20 30 GGEDHN Cc1cc(CC(C)(C)NCC(=O)N[C@](C)(C#N)C2CC2)ccc1Br ZINC000429233039 566914312 /nfs/dbraw/zinc/91/43/12/566914312.db2.gz CTAZQCGZXMAXFR-LJQANCHMSA-N 0 3 392.341 3.477 20 30 GGEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000491832929 566917165 /nfs/dbraw/zinc/91/71/65/566917165.db2.gz UNVZECYNJNDLFV-UHFFFAOYSA-N 0 3 383.945 3.487 20 30 GGEDHN C[C@@](C#N)(NC(=O)CN[C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273626 566919065 /nfs/dbraw/zinc/91/90/65/566919065.db2.gz NDINKWLVDXRFAC-HKUYNNGSSA-N 0 3 390.325 3.471 20 30 GGEDHN C[C@H](N[C@@H]1c2cc(Br)ccc2CC1(C)C)C(=O)N(C)CCC#N ZINC000429280375 566919157 /nfs/dbraw/zinc/91/91/57/566919157.db2.gz YLRVAZJBXXSACL-BLLLJJGKSA-N 0 3 378.314 3.423 20 30 GGEDHN C[C@](C#N)(NC(=O)CN[C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429273641 566919176 /nfs/dbraw/zinc/91/91/76/566919176.db2.gz NDINKWLVDXRFAC-PKOBYXMFSA-N 0 3 390.325 3.471 20 30 GGEDHN N#Cc1ccc(CN2CCCN(C[C@H]3CCCO3)CC2)c(Br)c1 ZINC000611500427 566922520 /nfs/dbraw/zinc/92/25/20/566922520.db2.gz ZVPOZWDEPNRXCK-QGZVFWFLSA-N 0 3 378.314 3.007 20 30 GGEDHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429309551 566922727 /nfs/dbraw/zinc/92/27/27/566922727.db2.gz RSJGHWGNQLVXIH-IAQYHMDHSA-N 0 3 394.313 3.062 20 30 GGEDHN C[C@H](N[C@@H]1c2cccc(Br)c2CC1(C)C)C(=O)N(C)CCC#N ZINC000429376208 566927008 /nfs/dbraw/zinc/92/70/08/566927008.db2.gz JICIYCHNMIITMW-BLLLJJGKSA-N 0 3 378.314 3.423 20 30 GGEDHN C=CCN1CCC(NC(=O)N(C)Cc2ccc(Br)cc2F)CC1 ZINC000633042661 566931159 /nfs/dbraw/zinc/93/11/59/566931159.db2.gz UWXXKZDKLDGZTQ-UHFFFAOYSA-N 0 3 384.293 3.380 20 30 GGEDHN CN(C(C)(C)CN1CCCCCC1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000492295619 566931372 /nfs/dbraw/zinc/93/13/72/566931372.db2.gz PZWZZUHOJXODFB-UHFFFAOYSA-N 0 3 383.945 3.487 20 30 GGEDHN C[C@H]1C[C@@H]1N1CCN(C(=O)c2cccc(C#N)c2Br)C[C@@H](C)C1 ZINC000452129734 566941513 /nfs/dbraw/zinc/94/15/13/566941513.db2.gz XWGRYBQHYXOKPL-XEZPLFJOSA-N 0 3 376.298 3.123 20 30 GGEDHN N#Cc1ccc(NC(=O)CCN2CC[C@H](n3cc(Cl)cn3)C2)cc1Cl ZINC000519670715 566956815 /nfs/dbraw/zinc/95/68/15/566956815.db2.gz GVOBIFKBTQJDRW-HNNXBMFYSA-N 0 3 378.263 3.337 20 30 GGEDHN N#Cc1c(Br)cccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000519677619 566957860 /nfs/dbraw/zinc/95/78/60/566957860.db2.gz UCKWPXXVLGXISG-INIZCTEOSA-N 0 3 386.293 3.499 20 30 GGEDHN C[C@H]1CN(C(=O)c2cccc(C#N)c2Br)CCN(C2CCC2)C1 ZINC000452319828 566963103 /nfs/dbraw/zinc/96/31/03/566963103.db2.gz GJXIQDQQKWXAQF-CYBMUJFWSA-N 0 3 376.298 3.267 20 30 GGEDHN C=CCOc1c(Br)cc(CNCCc2ccn(C)n2)cc1OC ZINC000544836248 566999405 /nfs/dbraw/zinc/99/94/05/566999405.db2.gz YAXQAWKUHFWXOT-UHFFFAOYSA-N 0 3 380.286 3.088 20 30 GGEDHN C=CCc1cc(CN(C)CCn2cc(Br)cn2)cc(OC)c1O ZINC000584081526 567010639 /nfs/dbraw/zinc/01/06/39/567010639.db2.gz ZELQMQVECOLULW-UHFFFAOYSA-N 0 3 380.286 3.220 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cnc3ncc(Br)cc3c2)CC1 ZINC000681990226 567019476 /nfs/dbraw/zinc/01/94/76/567019476.db2.gz PZUWRBGCIQNCIB-UHFFFAOYSA-N 0 3 389.297 3.163 20 30 GGEDHN N#CCCC1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000564916326 567019792 /nfs/dbraw/zinc/01/97/92/567019792.db2.gz LPDZQHVJRYWBBP-INIZCTEOSA-N 0 3 385.277 3.344 20 30 GGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2ccc(CS(C)(=O)=O)cc2)s1 ZINC000430597024 567024446 /nfs/dbraw/zinc/02/44/46/567024446.db2.gz KVNYYWVZVNMFHD-AWEZNQCLSA-N 0 3 376.503 3.475 20 30 GGEDHN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccc(CS(C)(=O)=O)c2)s1 ZINC000430594699 567025513 /nfs/dbraw/zinc/02/55/13/567025513.db2.gz SDNPZWMDIYCKPD-CQSZACIVSA-N 0 3 376.503 3.475 20 30 GGEDHN C[C@](CO)(NCCOCC(F)(F)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000682528289 567056694 /nfs/dbraw/zinc/05/66/94/567056694.db2.gz VIFDMPRMSWZFQJ-CYBMUJFWSA-N 0 3 377.300 3.420 20 30 GGEDHN N#Cc1ccc(CN2CCC[C@@H](N3CCOCC3)CC2)c(Br)c1 ZINC000585718460 567082525 /nfs/dbraw/zinc/08/25/25/567082525.db2.gz HLVNFFLFGBDVGV-QGZVFWFLSA-N 0 3 378.314 3.007 20 30 GGEDHN N#Cc1cc(Br)ccc1CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000588198361 567120683 /nfs/dbraw/zinc/12/06/83/567120683.db2.gz GELCHGGDHXVLRC-GOSISDBHSA-N 0 3 378.314 3.007 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CC(F)(F)F)cc1 ZINC000588292271 567125531 /nfs/dbraw/zinc/12/55/31/567125531.db2.gz TYHPNWSCKAQTIJ-JTQLQIEISA-N 0 3 377.388 3.225 20 30 GGEDHN C=CCN1CCC(NCc2c(F)ccc(I)c2F)CC1 ZINC000474705028 567194319 /nfs/dbraw/zinc/19/43/19/567194319.db2.gz BSWVLTPKMBOKQM-UHFFFAOYSA-N 0 3 392.231 3.309 20 30 GGEDHN Cc1cc(C(C#N)C(=O)c2ccc(C)c(I)c2)nc(C)n1 ZINC000524433941 567198844 /nfs/dbraw/zinc/19/88/44/567198844.db2.gz WKDDCYWNHLIASK-ZDUSSCGKSA-N 0 3 391.212 3.497 20 30 GGEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433283943 567239068 /nfs/dbraw/zinc/23/90/68/567239068.db2.gz DFPHKYFKWOEPKD-INIZCTEOSA-N 0 3 378.314 3.076 20 30 GGEDHN C[C@@H](C(=O)N(C)CCC#N)N1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433303732 567240754 /nfs/dbraw/zinc/24/07/54/567240754.db2.gz LZCLKHJPEXLBST-GOEBONIOSA-N 0 3 378.314 3.074 20 30 GGEDHN CCN(C[C@H](C)C#N)C(=O)CN1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306462 567241938 /nfs/dbraw/zinc/24/19/38/567241938.db2.gz SDGIGRKBPDNLNK-WBVHZDCISA-N 0 3 392.341 3.322 20 30 GGEDHN C[C@@H]1C[C@H](C)C[N@@H+](CCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562928 567257675 /nfs/dbraw/zinc/25/76/75/567257675.db2.gz AIWPNVLFSOGDHF-GASCZTMLSA-N 0 3 383.945 3.248 20 30 GGEDHN C[C@@H]1C[C@H](C)C[N@H+](CCCC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000475562928 567257678 /nfs/dbraw/zinc/25/76/78/567257678.db2.gz AIWPNVLFSOGDHF-GASCZTMLSA-N 0 3 383.945 3.248 20 30 GGEDHN N#CC1(CCCN(CCO)Cc2ccc(Br)s2)CCOCC1 ZINC000499720466 567268229 /nfs/dbraw/zinc/26/82/29/567268229.db2.gz SOMAIVUIBFMKAT-UHFFFAOYSA-N 0 3 387.343 3.405 20 30 GGEDHN C=CCN1CC[C@H](N(C)CCCc2ccc(Br)cc2OC)C1=O ZINC000499936558 567285407 /nfs/dbraw/zinc/28/54/07/567285407.db2.gz AMVQTUNXWDOKCI-INIZCTEOSA-N 0 3 381.314 3.109 20 30 GGEDHN C=CCCOCC(=O)N(Cc1ccccc1Br)C1CCN(C)CC1 ZINC000639087328 567286579 /nfs/dbraw/zinc/28/65/79/567286579.db2.gz AKQGJKCBMPQISK-UHFFFAOYSA-N 0 3 395.341 3.465 20 30 GGEDHN N#Cc1ccc(Br)c(CN2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000617194769 567289814 /nfs/dbraw/zinc/28/98/14/567289814.db2.gz BFNVDCUTDCCLJK-KRWDZBQOSA-N 0 3 378.314 3.007 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)c1[nH]nc(C2CC2)c1Br)C(C)C ZINC000591643547 567290284 /nfs/dbraw/zinc/29/02/84/567290284.db2.gz XAFMIYJNTNACJT-AWEZNQCLSA-N 0 3 395.345 3.478 20 30 GGEDHN Cc1cc(Br)ccc1CNC[C@H](O)COc1ccc(CC#N)cc1 ZINC000591734867 567293893 /nfs/dbraw/zinc/29/38/93/567293893.db2.gz IHDLKPNRRGYIKE-SFHVURJKSA-N 0 3 389.293 3.353 20 30 GGEDHN C=CCn1c(SC[C@H](O)CN(C)C2CC2)nnc1-c1cccc(Cl)c1 ZINC000685910173 567310628 /nfs/dbraw/zinc/31/06/28/567310628.db2.gz OKUZKJISACBSJJ-MRXNPFEDSA-N 0 3 378.929 3.332 20 30 GGEDHN Cc1cc(Br)cc(C)c1NC(=O)CCCN1CC[C@](O)(CC#N)C1 ZINC000592151030 567318309 /nfs/dbraw/zinc/31/83/09/567318309.db2.gz JISOKZRBMZASIS-GOSISDBHSA-N 0 3 394.313 3.135 20 30 GGEDHN CCN(CC)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435431996 567364179 /nfs/dbraw/zinc/36/41/79/567364179.db2.gz LIJKQKPIKTUXPS-UHFFFAOYSA-N 0 3 377.535 3.152 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCOc3ccc(Br)cc3C2)CC1 ZINC000549272958 567384449 /nfs/dbraw/zinc/38/44/49/567384449.db2.gz KRQFUNZRRFTJGD-UHFFFAOYSA-N 0 3 394.313 3.004 20 30 GGEDHN C[C@H](NC(=O)C(C#N)Cc1ccc(C#N)cc1)c1ccc(Br)cn1 ZINC000477773775 567416657 /nfs/dbraw/zinc/41/66/57/567416657.db2.gz BUDPKMNPGVYKKJ-WFASDCNBSA-N 0 3 383.249 3.275 20 30 GGEDHN C[C@@H]1COCCN1C1CCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000593989028 567450361 /nfs/dbraw/zinc/45/03/61/567450361.db2.gz XOUCMTAFZOUJFV-CQSZACIVSA-N 0 3 378.314 3.006 20 30 GGEDHN Cc1cccc(CC(=O)C(C#N)C(=O)NC2CCCCC2)c1Br ZINC000528916704 567468415 /nfs/dbraw/zinc/46/84/15/567468415.db2.gz FCYFKBNZOXPELN-OAHLLOKOSA-N 0 3 377.282 3.458 20 30 GGEDHN CN(CCC#N)C[C@H](O)CN[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000570325760 567476214 /nfs/dbraw/zinc/47/62/14/567476214.db2.gz XCXZYMDQRRXNCC-MSOLQXFVSA-N 0 3 398.320 3.225 20 30 GGEDHN Cc1c(Br)cccc1CNC[C@H](O)COc1ccc(C#N)cc1 ZINC000594570588 567486823 /nfs/dbraw/zinc/48/68/23/567486823.db2.gz QISHYYGCGPWMBY-INIZCTEOSA-N 0 3 375.266 3.159 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)CC1CCN(C)CC1 ZINC000594758753 567507677 /nfs/dbraw/zinc/50/76/77/567507677.db2.gz DZNWXUVNRQJKFF-UHFFFAOYSA-N 0 3 377.535 3.044 20 30 GGEDHN Cc1c2cc(C#N)ccc2sc1S(=O)(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000594757646 567508345 /nfs/dbraw/zinc/50/83/45/567508345.db2.gz HMTNNIAJJFAHDU-WBMJQRKESA-N 0 3 377.535 3.042 20 30 GGEDHN CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)CC1(C#N)CC1 ZINC000594840664 567518816 /nfs/dbraw/zinc/51/88/16/567518816.db2.gz LGZNSSQYEVNFPW-UHFFFAOYSA-N 0 3 383.945 3.117 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cn2)CC1 ZINC000458337511 567540115 /nfs/dbraw/zinc/54/01/15/567540115.db2.gz QNQSPYPEHJSGNK-KRWDZBQOSA-N 0 3 393.329 3.341 20 30 GGEDHN N#CC[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000595614282 567573905 /nfs/dbraw/zinc/57/39/05/567573905.db2.gz JQFDWSRUBVVLHP-JSGCOSHPSA-N 0 3 387.705 3.468 20 30 GGEDHN N#Cc1ncn(CCN[C@@H](c2ccccc2)c2ccc(Br)cc2)n1 ZINC000552333644 567578794 /nfs/dbraw/zinc/57/87/94/567578794.db2.gz KPKBMIATQGANGN-SFHVURJKSA-N 0 3 382.265 3.291 20 30 GGEDHN N#Cc1ccc(CN2CCC(CCN3CCOCC3)CC2)c(Br)c1 ZINC000480780180 567631417 /nfs/dbraw/zinc/63/14/17/567631417.db2.gz NDASXZNKJITRMS-UHFFFAOYSA-N 0 3 392.341 3.255 20 30 GGEDHN COc1cc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)ccc1C#N ZINC000440798883 567643561 /nfs/dbraw/zinc/64/35/61/567643561.db2.gz AACFRGRQCGUWFR-CQSZACIVSA-N 0 3 381.259 3.403 20 30 GGEDHN C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H]2CCN(C)[C@H]2C1 ZINC000459661789 567647555 /nfs/dbraw/zinc/64/75/55/567647555.db2.gz RVIBQISYGCIGBK-DOMZBBRYSA-N 0 3 380.286 3.182 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)Nc1ccncc1Br)C(C)C ZINC000507230510 567667986 /nfs/dbraw/zinc/66/79/86/567667986.db2.gz IAEKWCQBQBXJLL-INIZCTEOSA-N 0 3 381.318 3.086 20 30 GGEDHN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(C#N)cc1 ZINC000507243332 567669358 /nfs/dbraw/zinc/66/93/58/567669358.db2.gz LPIMLDISHHCHDJ-LBPRGKRZSA-N 0 3 398.315 3.494 20 30 GGEDHN C[C@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000507277679 567672041 /nfs/dbraw/zinc/67/20/41/567672041.db2.gz INACXJVSFOQTEL-KBPBESRZSA-N 0 3 383.945 3.246 20 30 GGEDHN C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000507277683 567672100 /nfs/dbraw/zinc/67/21/00/567672100.db2.gz INACXJVSFOQTEL-OKILXGFUSA-N 0 3 383.945 3.246 20 30 GGEDHN C=CCOc1c(Cl)cc(CNCCNC(=O)c2cccs2)cc1OC ZINC000623360839 567704811 /nfs/dbraw/zinc/70/48/11/567704811.db2.gz AHUDZZPVPLPDQE-UHFFFAOYSA-N 0 3 380.897 3.495 20 30 GGEDHN C=CCOc1c(Cl)cc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1OC ZINC000623428526 567708601 /nfs/dbraw/zinc/70/86/01/567708601.db2.gz NQGRGVCXJYIYCV-HUUCEWRRSA-N 0 3 387.929 3.359 20 30 GGEDHN CC(C#N)S(=O)(=O)c1ccc(NC(=O)NCCCc2cccs2)cc1 ZINC000554506494 567732171 /nfs/dbraw/zinc/73/21/71/567732171.db2.gz AFPKMATVMLFUQV-CYBMUJFWSA-N 0 3 377.491 3.188 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000533627592 567778773 /nfs/dbraw/zinc/77/87/73/567778773.db2.gz MMSOUTPJNOYJIZ-ZDUSSCGKSA-N 0 3 398.320 3.469 20 30 GGEDHN C[C@@H](NC[C@H](O)CC(C)(C)C#N)c1ccc(Br)cc1OCCCO ZINC000598620100 567780393 /nfs/dbraw/zinc/78/03/93/567780393.db2.gz YJAXGEUZECCLLR-UKRRQHHQSA-N 0 3 399.329 3.162 20 30 GGEDHN Cc1c(Br)cc(C(=O)C(C#N)c2nc(C3CC3)cs2)c(=O)n1C ZINC000647379392 567781586 /nfs/dbraw/zinc/78/15/86/567781586.db2.gz GCAWDVYIHGMQMR-LLVKDONJSA-N 0 3 392.278 3.280 20 30 GGEDHN CC(C)(C#N)C[C@H](O)CNCc1ccc(I)c(Cl)c1 ZINC000598724496 567785923 /nfs/dbraw/zinc/78/59/23/567785923.db2.gz OUJKNDNDRSXTHL-NSHDSACASA-N 0 3 392.668 3.335 20 30 GGEDHN CN(C(=O)C(C[C@@H]1COCCO1)C(F)(F)F)c1cc(Cl)ccc1C#N ZINC000598818026 567792215 /nfs/dbraw/zinc/79/22/15/567792215.db2.gz IXCIOAIMESUKNP-CHWSQXEVSA-N 0 3 376.762 3.158 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(-c3ccc(Br)cc3)no2)CC1 ZINC000668370495 567808729 /nfs/dbraw/zinc/80/87/29/567808729.db2.gz YOLOWRLTSRBAOI-UHFFFAOYSA-N 0 3 390.281 3.484 20 30 GGEDHN C=CC[NH+](CC=C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C(C)C ZINC000735419268 599041213 /nfs/dbraw/zinc/04/12/13/599041213.db2.gz RGOAVFPEWKBPCS-AWEZNQCLSA-N 0 3 395.433 3.391 20 30 GGEDHN C=CC[NH+](CC=C)[C@@H](CNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C(C)C ZINC000735419268 599041216 /nfs/dbraw/zinc/04/12/16/599041216.db2.gz RGOAVFPEWKBPCS-AWEZNQCLSA-N 0 3 395.433 3.391 20 30 GGEDHN C[C@H](c1ccc(C#N)cc1)N1CCN([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736197882 599307433 /nfs/dbraw/zinc/30/74/33/599307433.db2.gz CPDHVZYNCQZTRA-SJORKVTESA-N 0 3 387.491 3.178 20 30 GGEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735413431 599475843 /nfs/dbraw/zinc/47/58/43/599475843.db2.gz UYJBKKNMNUIIDF-UHFFFAOYSA-N 0 3 388.541 3.424 20 30 GGEDHN C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735413431 599475845 /nfs/dbraw/zinc/47/58/45/599475845.db2.gz UYJBKKNMNUIIDF-UHFFFAOYSA-N 0 3 388.541 3.424 20 30 GGEDHN C=CCCC[N@@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735413431 599475848 /nfs/dbraw/zinc/47/58/48/599475848.db2.gz UYJBKKNMNUIIDF-UHFFFAOYSA-N 0 3 388.541 3.424 20 30 GGEDHN C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000735413431 599475850 /nfs/dbraw/zinc/47/58/50/599475850.db2.gz UYJBKKNMNUIIDF-UHFFFAOYSA-N 0 3 388.541 3.424 20 30 GGEDHN N#Cc1ccc(C2=CC[N@H+](Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)cc1 ZINC000826385024 608467938 /nfs/dbraw/zinc/46/79/38/608467938.db2.gz UJKLYCMGHYRKGS-UHFFFAOYSA-N 0 3 381.443 3.280 20 30 GGEDHN N#Cc1ccc(C2=CC[N@@H+](Cc3cn4ccccc4c3-c3nnn[n-]3)CC2)cc1 ZINC000826385024 608467940 /nfs/dbraw/zinc/46/79/40/608467940.db2.gz UJKLYCMGHYRKGS-UHFFFAOYSA-N 0 3 381.443 3.280 20 30 GGEDHN N#Cc1ccc(C2=CC[N@H+](Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)cc1 ZINC000826385024 608467942 /nfs/dbraw/zinc/46/79/42/608467942.db2.gz UJKLYCMGHYRKGS-UHFFFAOYSA-N 0 3 381.443 3.280 20 30 GGEDHN N#Cc1ccc(C2=CC[N@@H+](Cc3cn4ccccc4c3-c3nn[n-]n3)CC2)cc1 ZINC000826385024 608467943 /nfs/dbraw/zinc/46/79/43/608467943.db2.gz UJKLYCMGHYRKGS-UHFFFAOYSA-N 0 3 381.443 3.280 20 30 GGEDHN COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(CC#N)cc2)c(OC)c1 ZINC000053420193 1406390574 /nfs/dbraw/zinc/39/05/74/1406390574.db2.gz OOLWXRFYRNNNGE-PGRDOPGGSA-N 0 3 396.487 3.347 20 30 GGEDHN C=CCOc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1 ZINC000053996881 1406582582 /nfs/dbraw/zinc/58/25/82/1406582582.db2.gz DTEZXICRXNRHKU-UHFFFAOYSA-N 0 3 393.487 3.201 20 30 GGEDHN N#CC(C(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1nnc2n1CCCCC2 ZINC000054727329 1406814480 /nfs/dbraw/zinc/81/44/80/1406814480.db2.gz SQZBKZOYOLKURY-MRXNPFEDSA-N 0 3 380.839 3.334 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000055030281 1406873392 /nfs/dbraw/zinc/87/33/92/1406873392.db2.gz DEBBBXHLYVQQSG-UHFFFAOYSA-N 0 3 397.504 3.234 20 30 GGEDHN COc1ccc(-c2nnc(SCC(=O)C(C#N)c3nc(C)cs3)o2)cc1 ZINC000007826910 1398753054 /nfs/dbraw/zinc/75/30/54/1398753054.db2.gz LJTLDZFWBAVZDN-ZDUSSCGKSA-N 0 3 386.458 3.479 20 30 GGEDHN CCCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccncc1 ZINC000011211413 1398960049 /nfs/dbraw/zinc/96/00/49/1398960049.db2.gz YMTVXKSQWOJCQB-AWEZNQCLSA-N 0 3 398.517 3.484 20 30 GGEDHN COc1ccccc1-c1nnc(SCC(=O)C(C#N)c2nc(C)cs2)o1 ZINC000020070631 1399342102 /nfs/dbraw/zinc/34/21/02/1399342102.db2.gz AYKBBJBOSSRWRW-LBPRGKRZSA-N 0 3 386.458 3.479 20 30 GGEDHN COc1ccc(-c2nnc(SCC(=O)C(C#N)c3nc(C)cs3)n2C)cc1 ZINC000022723517 1399495390 /nfs/dbraw/zinc/49/53/90/1399495390.db2.gz AAAHVLIQTUGQRT-AWEZNQCLSA-N 0 3 399.501 3.224 20 30 GGEDHN C=CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nc2ccccc2c1=O ZINC000022723792 1399495609 /nfs/dbraw/zinc/49/56/09/1399495609.db2.gz RZFYJVCIGKUZSY-CQSZACIVSA-N 0 3 396.497 3.316 20 30 GGEDHN N#CCc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000025228078 1399775464 /nfs/dbraw/zinc/77/54/64/1399775464.db2.gz AOIHYGGWSZRBQU-PZJWPPBQSA-N 0 3 394.471 3.101 20 30 GGEDHN CC(C)[C@@H](CNC(=O)COc1ccccc1C#N)N1CCc2ccccc2C1 ZINC000025536504 1399817742 /nfs/dbraw/zinc/81/77/42/1399817742.db2.gz ASEMBDPHYJIYDK-OAQYLSRUSA-N 0 3 377.488 3.136 20 30 GGEDHN CC(C)Cn1nnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000026117403 1399861521 /nfs/dbraw/zinc/86/15/21/1399861521.db2.gz VDDMXQMCINSKGO-AWEZNQCLSA-N 0 3 398.517 3.421 20 30 GGEDHN COC(=O)c1ccc(CN(C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000026321434 1399877882 /nfs/dbraw/zinc/87/78/82/1399877882.db2.gz VMNRQAZRUBOZRA-UHFFFAOYSA-N 0 3 397.500 3.356 20 30 GGEDHN N#CCc1ccc(OC[C@H](O)CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000026715750 1399924603 /nfs/dbraw/zinc/92/46/03/1399924603.db2.gz XFUWSTUFDSTTQL-QUCCMNQESA-N 0 3 386.517 3.235 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nc2ccccc2c1=O ZINC000029355157 1400286680 /nfs/dbraw/zinc/28/66/80/1400286680.db2.gz APEKJAMTRWUAMT-ZDUSSCGKSA-N 0 3 384.486 3.150 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)COc3ccccc3C#N)c(C)c2)CC1 ZINC000029375291 1400290288 /nfs/dbraw/zinc/29/02/88/1400290288.db2.gz ZVSYUDZLZDCTDU-UHFFFAOYSA-N 0 3 378.476 3.026 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNc3nnc(C)c(C)c3C#N)CC2)c1 ZINC000029587442 1400319305 /nfs/dbraw/zinc/31/93/05/1400319305.db2.gz OBVZDKLGYOIAAA-UHFFFAOYSA-N 0 3 378.524 3.288 20 30 GGEDHN C=CCOc1ccc(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000030000819 1400395120 /nfs/dbraw/zinc/39/51/20/1400395120.db2.gz UMTMEQYJQLSTCA-HSZRJFAPSA-N 0 3 393.531 3.360 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056016028 1407172743 /nfs/dbraw/zinc/17/27/43/1407172743.db2.gz VEIODRABKJWWHP-UHFFFAOYSA-N 0 3 391.431 3.152 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000042957047 1403679431 /nfs/dbraw/zinc/67/94/31/1403679431.db2.gz QJQDQURIVJSLMI-UHFFFAOYSA-N 0 3 389.503 3.355 20 30 GGEDHN Cc1cccc(OCCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000043781017 1403815956 /nfs/dbraw/zinc/81/59/56/1403815956.db2.gz OYEIVDVEVUFOQE-UHFFFAOYSA-N 0 3 380.492 3.019 20 30 GGEDHN C[C@H](NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000043830240 1403825111 /nfs/dbraw/zinc/82/51/11/1403825111.db2.gz XEVUXQQPJKRCID-INIZCTEOSA-N 0 3 390.491 3.269 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCSc1ccccc1 ZINC000043862232 1403834108 /nfs/dbraw/zinc/83/41/08/1403834108.db2.gz PIVSFCCIOIOMCD-UHFFFAOYSA-N 0 3 382.533 3.424 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000044566347 1403951263 /nfs/dbraw/zinc/95/12/63/1403951263.db2.gz DWLRMXVJWUQOCB-UHFFFAOYSA-N 0 3 390.487 3.111 20 30 GGEDHN CC(C)C(=O)Nc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 ZINC000044566589 1403952495 /nfs/dbraw/zinc/95/24/95/1403952495.db2.gz UNFMMUMOFUHUML-UHFFFAOYSA-N 0 3 392.503 3.357 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCOc1ccccc1 ZINC000045210482 1404075749 /nfs/dbraw/zinc/07/57/49/1404075749.db2.gz USDSHSQERCENRP-UHFFFAOYSA-N 0 3 380.492 3.101 20 30 GGEDHN C[C@H](N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000045812499 1404212628 /nfs/dbraw/zinc/21/26/28/1404212628.db2.gz RDPLSUILPSEWHO-HOTGVXAUSA-N 0 3 382.508 3.417 20 30 GGEDHN N#Cc1ccc(CN2CCCN(CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000046037291 1404281742 /nfs/dbraw/zinc/28/17/42/1404281742.db2.gz MTCORUIORCBANB-UHFFFAOYSA-N 0 3 380.448 3.053 20 30 GGEDHN CCN1CCN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)CC1 ZINC000046120910 1404304727 /nfs/dbraw/zinc/30/47/27/1404304727.db2.gz WVTXCBHITFZTRB-UHFFFAOYSA-N 0 3 377.492 3.017 20 30 GGEDHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000046121254 1404305886 /nfs/dbraw/zinc/30/58/86/1404305886.db2.gz RGZCIERPIKQOKF-UHFFFAOYSA-N 0 3 377.492 3.017 20 30 GGEDHN CCN(CC)S(=O)(=O)c1cccc(C(=O)C(C#N)c2nc3ccccc3[nH]2)c1 ZINC000046440656 1404416949 /nfs/dbraw/zinc/41/69/49/1404416949.db2.gz IMNXULLTCKAMAX-INIZCTEOSA-N 0 3 396.472 3.083 20 30 GGEDHN COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000046796112 1404592084 /nfs/dbraw/zinc/59/20/84/1404592084.db2.gz ONWPXHJMJAVCBP-HXUWFJFHSA-N 0 3 393.487 3.117 20 30 GGEDHN CN1CCN(CCCNC(=O)Nc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000046884598 1404621923 /nfs/dbraw/zinc/62/19/23/1404621923.db2.gz LHLXEHQSGWERPD-NRFANRHFSA-N 0 3 377.492 3.059 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000047011163 1404673444 /nfs/dbraw/zinc/67/34/44/1404673444.db2.gz APAQBSMPGKKALP-UHFFFAOYSA-N 0 3 387.487 3.007 20 30 GGEDHN COc1ccc(OC)c(CCC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000047010353 1404674176 /nfs/dbraw/zinc/67/41/76/1404674176.db2.gz QAAIIYLZVGWTFT-UHFFFAOYSA-N 0 3 395.503 3.098 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cn2cccn2)cc1 ZINC000047011635 1404674452 /nfs/dbraw/zinc/67/44/52/1404674452.db2.gz VQKITSXAURZNFF-UHFFFAOYSA-N 0 3 387.487 3.007 20 30 GGEDHN N#Cc1ccc(OCCN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1 ZINC000047262296 1404774619 /nfs/dbraw/zinc/77/46/19/1404774619.db2.gz AYYIQUWZGVBARQ-INIZCTEOSA-N 0 3 384.867 3.336 20 30 GGEDHN N#Cc1ccc(NC(=O)NCCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000047333775 1404809484 /nfs/dbraw/zinc/80/94/84/1404809484.db2.gz DJSKFKIPWLIMHF-UHFFFAOYSA-N 0 3 377.492 3.282 20 30 GGEDHN Cc1c(C(=O)C(C#N)c2nc3ccccc3[nH]2)sc2nc3n(c(=O)c12)CCC3 ZINC000047359344 1404815794 /nfs/dbraw/zinc/81/57/94/1404815794.db2.gz DBKIENDQVQEKRI-NSHDSACASA-N 0 3 389.440 3.079 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2ccccc2s1 ZINC000047671754 1404890898 /nfs/dbraw/zinc/89/08/98/1404890898.db2.gz DPQMEHPWQNXHJA-UHFFFAOYSA-N 0 3 379.489 3.186 20 30 GGEDHN COc1cccc([C@@H](CNC(=O)NCC#Cc2ccccc2)N2CCCC2)c1 ZINC000047986316 1405018960 /nfs/dbraw/zinc/01/89/60/1405018960.db2.gz XTBLGCZOSASKPE-JOCHJYFZSA-N 0 3 377.488 3.183 20 30 GGEDHN COc1cccc([C@H](CNC(=O)NCc2cccc(C#N)c2)N2CCCC2)c1 ZINC000047986268 1405019203 /nfs/dbraw/zinc/01/92/03/1405019203.db2.gz YUQJOROFWUNEMR-NRFANRHFSA-N 0 3 378.476 3.203 20 30 GGEDHN COC(=O)c1ccc(C)c(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000048097025 1405052893 /nfs/dbraw/zinc/05/28/93/1405052893.db2.gz JTRPDFZZQVRKHR-UHFFFAOYSA-N 0 3 394.475 3.249 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000048159508 1405078084 /nfs/dbraw/zinc/07/80/84/1405078084.db2.gz QBIKIEYPWYWWAP-UHFFFAOYSA-N 0 3 380.492 3.198 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)cc1 ZINC000048161328 1405080193 /nfs/dbraw/zinc/08/01/93/1405080193.db2.gz JMMHYRHMBQNMPV-UHFFFAOYSA-N 0 3 398.482 3.337 20 30 GGEDHN N#Cc1ccc(CSCC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000048184474 1405090907 /nfs/dbraw/zinc/09/09/07/1405090907.db2.gz RQVAHXJHWIPYPM-UHFFFAOYSA-N 0 3 379.529 3.356 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000048282973 1405127785 /nfs/dbraw/zinc/12/77/85/1405127785.db2.gz BRWWAGFQDPYPSD-OAQYLSRUSA-N 0 3 380.492 3.449 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000049226190 1405354094 /nfs/dbraw/zinc/35/40/94/1405354094.db2.gz LSUUXSFZQTZEMC-PKOBYXMFSA-N 0 3 398.507 3.336 20 30 GGEDHN CCCCCCNC(=O)C(C#N)C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC000049229511 1405354150 /nfs/dbraw/zinc/35/41/50/1405354150.db2.gz WKWQMRIWCQKNOT-PMACEKPBSA-N 0 3 397.519 3.253 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000049252835 1405357561 /nfs/dbraw/zinc/35/75/61/1405357561.db2.gz SSHHQPVKCYUNBC-QUCCMNQESA-N 0 3 397.519 3.171 20 30 GGEDHN Cc1ccc(SCC(=O)C(C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1 ZINC000049392634 1405375182 /nfs/dbraw/zinc/37/51/82/1405375182.db2.gz PPHPTKHSZBMZPU-INIZCTEOSA-N 0 3 390.472 3.474 20 30 GGEDHN Cc1cccc(N2CCN(CCCCNC(=O)c3cccc(CC#N)c3)CC2)c1 ZINC000049699193 1405395180 /nfs/dbraw/zinc/39/51/80/1405395180.db2.gz JRUFAMXMTQKOJJ-UHFFFAOYSA-N 0 3 390.531 3.393 20 30 GGEDHN CCN(CC)[C@H](CNC(=O)CNc1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000050026686 1405455082 /nfs/dbraw/zinc/45/50/82/1405455082.db2.gz XIHSIHJSFOTUOR-OAQYLSRUSA-N 0 3 380.492 3.178 20 30 GGEDHN N#CC(C(=O)c1cnn(-c2ccccc2Cl)c1)c1nnc2n1CCCCC2 ZINC000050206439 1405521167 /nfs/dbraw/zinc/52/11/67/1405521167.db2.gz UXWFKPIFMRCGAZ-AWEZNQCLSA-N 0 3 380.839 3.334 20 30 GGEDHN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000050679914 1405622464 /nfs/dbraw/zinc/62/24/64/1405622464.db2.gz GXYOGYVPOTUPRN-QFBILLFUSA-N 0 3 396.491 3.088 20 30 GGEDHN CC(=O)N[C@H](CC(=O)C(C#N)C(=O)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000050681884 1405623891 /nfs/dbraw/zinc/62/38/91/1405623891.db2.gz ARLFJTMLBWWTQL-QZTJIDSGSA-N 0 3 389.883 3.065 20 30 GGEDHN Cc1ccc(OC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1C ZINC000051403995 1405805482 /nfs/dbraw/zinc/80/54/82/1405805482.db2.gz QYOBBXJSONPZLZ-HXUWFJFHSA-N 0 3 380.488 3.458 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NC1CCCC1 ZINC000051651823 1405845480 /nfs/dbraw/zinc/84/54/80/1405845480.db2.gz BFDILCJWAYSRJH-OAHLLOKOSA-N 0 3 386.839 3.090 20 30 GGEDHN C=CCc1cc(CNC(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1OC ZINC000051778076 1405862718 /nfs/dbraw/zinc/86/27/18/1405862718.db2.gz HSAGMNYOOQKPPR-UHFFFAOYSA-N 0 3 387.524 3.202 20 30 GGEDHN Cc1ccc(CNC(=O)C2CCN(CCOc3cccc(C#N)c3)CC2)cc1F ZINC000051880329 1405880736 /nfs/dbraw/zinc/88/07/36/1405880736.db2.gz MDDISNMCPWCXCQ-UHFFFAOYSA-N 0 3 395.478 3.413 20 30 GGEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N(C(C)C)C(C)C ZINC000052485641 1406063407 /nfs/dbraw/zinc/06/34/07/1406063407.db2.gz VSMJUEGMQAXWAM-UHFFFAOYSA-N 0 3 393.601 3.230 20 30 GGEDHN N#Cc1ccccc1N1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000052801311 1406175156 /nfs/dbraw/zinc/17/51/56/1406175156.db2.gz KYZYXPMYFVSEKA-UHFFFAOYSA-N 0 3 393.447 3.007 20 30 GGEDHN N#Cc1cccc(OCCN2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000052830008 1406190588 /nfs/dbraw/zinc/19/05/88/1406190588.db2.gz OYRDRFNMMXBIAF-INIZCTEOSA-N 0 3 384.867 3.336 20 30 GGEDHN CC(C)(C#N)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000056955625 1407484731 /nfs/dbraw/zinc/48/47/31/1407484731.db2.gz HQSXTRVNMQBYOV-UHFFFAOYSA-N 0 3 396.457 3.274 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@@H](C)c2ccc(NC(=O)N(CC)CC)cc2)CC1 ZINC000057172653 1407544292 /nfs/dbraw/zinc/54/42/92/1407544292.db2.gz PVZBNJKFONIZGL-KRWDZBQOSA-N 0 3 384.524 3.083 20 30 GGEDHN C#CCN1CCC(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000057177288 1407547404 /nfs/dbraw/zinc/54/74/04/1407547404.db2.gz DXPPVIQJFILNAP-GOSISDBHSA-N 0 3 377.488 3.183 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000057631008 1407671023 /nfs/dbraw/zinc/67/10/23/1407671023.db2.gz NLXFZKAKBILRRC-JOCHJYFZSA-N 0 3 394.519 3.328 20 30 GGEDHN C=C(C)COc1cc(CNCc2ccc(OCCO)c(OC)c2)ccc1OC ZINC000057965703 1407762370 /nfs/dbraw/zinc/76/23/70/1407762370.db2.gz PRWSXKVVDVLRSI-UHFFFAOYSA-N 0 3 387.476 3.320 20 30 GGEDHN C=C(C)COc1cc(CNCc2cccc(OCC(=O)N(C)C)c2)ccc1OC ZINC000057964877 1407762716 /nfs/dbraw/zinc/76/27/16/1407762716.db2.gz GBTZBFZLNQOLLL-UHFFFAOYSA-N 0 3 398.503 3.407 20 30 GGEDHN C=C(C)COc1cc(CNCc2ccc(NS(C)(=O)=O)cc2)ccc1OC ZINC000057968303 1407763302 /nfs/dbraw/zinc/76/33/02/1407763302.db2.gz CQXSYMCDSWTIJX-UHFFFAOYSA-N 0 3 390.505 3.311 20 30 GGEDHN CC(C)n1nnnc1SCC(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000058291005 1407807902 /nfs/dbraw/zinc/80/79/02/1407807902.db2.gz VMQLVVVFSVXFCM-CYBMUJFWSA-N 0 3 384.490 3.346 20 30 GGEDHN COc1ccc(CCCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 ZINC000061432952 1408127320 /nfs/dbraw/zinc/12/73/20/1408127320.db2.gz AXXDNMOHEICKMG-UHFFFAOYSA-N 0 3 379.504 3.480 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1C)C(C)C ZINC000062205180 1408217939 /nfs/dbraw/zinc/21/79/39/1408217939.db2.gz WVMVLMJPHOHIJH-GOSISDBHSA-N 0 3 377.916 3.402 20 30 GGEDHN CSc1nc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c2ccccn21 ZINC000062263564 1408226710 /nfs/dbraw/zinc/22/67/10/1408226710.db2.gz QXBZQYNUUDZKMZ-UHFFFAOYSA-N 0 3 393.516 3.132 20 30 GGEDHN N#Cc1ccccc1OCCN1CCC(C(=O)NCCc2cccs2)CC1 ZINC000063301020 1408332350 /nfs/dbraw/zinc/33/23/50/1408332350.db2.gz VVKOXUPPRKYJFY-UHFFFAOYSA-N 0 3 383.517 3.069 20 30 GGEDHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCC(=O)Nc1ccc(C#N)cc1 ZINC000063515984 1408366126 /nfs/dbraw/zinc/36/61/26/1408366126.db2.gz SWTCSVRLWCLQQO-SFHVURJKSA-N 0 3 386.496 3.266 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000063753488 1408401491 /nfs/dbraw/zinc/40/14/91/1408401491.db2.gz PHEZXTZYFNSSKD-OAQYLSRUSA-N 0 3 392.503 3.034 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C#N)ccc1C)c1ccccc1 ZINC000063821790 1408421269 /nfs/dbraw/zinc/42/12/69/1408421269.db2.gz OWCUCYZCSOGVOL-FQEVSTJZSA-N 0 3 378.476 3.005 20 30 GGEDHN Cc1oc(-c2cnn(C)c2)nc1C(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000176460430 1428326756 /nfs/dbraw/zinc/32/67/56/1428326756.db2.gz RUPXRGYDQFQXTR-QGZVFWFLSA-N 0 3 399.410 3.498 20 30 GGEDHN COc1ccc(CNCc2cccnc2-n2cccn2)cc1OCCCC#N ZINC000064613930 1408585978 /nfs/dbraw/zinc/58/59/78/1408585978.db2.gz GNGLLHLGJJIEPQ-UHFFFAOYSA-N 0 3 377.448 3.248 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)CC1 ZINC000176501620 1428341855 /nfs/dbraw/zinc/34/18/55/1428341855.db2.gz CZCCUKHNEORQNE-SFHVURJKSA-N 0 3 394.560 3.068 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 ZINC000176501637 1428342046 /nfs/dbraw/zinc/34/20/46/1428342046.db2.gz PDJWIKMIMVZEKL-AWEZNQCLSA-N 0 3 387.459 3.276 20 30 GGEDHN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 ZINC000065930330 1408755810 /nfs/dbraw/zinc/75/58/10/1408755810.db2.gz FUBALJWXMIZKCG-OAHLLOKOSA-N 0 3 387.430 3.194 20 30 GGEDHN COc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc(OC)c1C ZINC000065930125 1408755871 /nfs/dbraw/zinc/75/58/71/1408755871.db2.gz DDJWRDXSULVDEA-UHFFFAOYSA-N 0 3 381.476 3.088 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000065930332 1408755904 /nfs/dbraw/zinc/75/59/04/1408755904.db2.gz HSGNRHGKJPFSTP-UHFFFAOYSA-N 0 3 391.431 3.152 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000065930142 1408755965 /nfs/dbraw/zinc/75/59/65/1408755965.db2.gz RRJZVNOLLFWOPI-UHFFFAOYSA-N 0 3 390.487 3.111 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000065930895 1408756148 /nfs/dbraw/zinc/75/61/48/1408756148.db2.gz YBFYMRGDJYZILL-UHFFFAOYSA-N 0 3 388.471 3.346 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1nc2ccccc2o1 ZINC000065930837 1408756274 /nfs/dbraw/zinc/75/62/74/1408756274.db2.gz WJAYAZYUCZWSHT-UHFFFAOYSA-N 0 3 394.500 3.382 20 30 GGEDHN COc1ccc2cc(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)[nH]c2c1 ZINC000065930648 1408756326 /nfs/dbraw/zinc/75/63/26/1408756326.db2.gz OQDHCRSKDOKCCN-UHFFFAOYSA-N 0 3 376.460 3.252 20 30 GGEDHN CC(=O)Nc1cc(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)ccc1C ZINC000065930460 1408756443 /nfs/dbraw/zinc/75/64/43/1408756443.db2.gz BSPCNKZFUPAUSD-UHFFFAOYSA-N 0 3 378.476 3.029 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000065930450 1408756449 /nfs/dbraw/zinc/75/64/49/1408756449.db2.gz MXHVYWUVVAZQNA-UHFFFAOYSA-N 0 3 392.528 3.254 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(Cl)nc2ccccn21 ZINC000065930415 1408756456 /nfs/dbraw/zinc/75/64/56/1408756456.db2.gz IDWGGRHGHGCCFO-UHFFFAOYSA-N 0 3 381.867 3.063 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccs2)on1 ZINC000065930675 1408756512 /nfs/dbraw/zinc/75/65/12/1408756512.db2.gz CGDWTUUYAYASFB-UHFFFAOYSA-N 0 3 380.473 3.479 20 30 GGEDHN COc1ccc(CCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1F ZINC000065930836 1408756586 /nfs/dbraw/zinc/75/65/86/1408756586.db2.gz YLIXIEQEXPCFRB-UHFFFAOYSA-N 0 3 383.467 3.229 20 30 GGEDHN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000066410389 1408832690 /nfs/dbraw/zinc/83/26/90/1408832690.db2.gz UWKLJPXGKXKEJW-HSZRJFAPSA-N 0 3 388.515 3.305 20 30 GGEDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000066483798 1408845397 /nfs/dbraw/zinc/84/53/97/1408845397.db2.gz BMNWBSJHCNAWMH-FQEVSTJZSA-N 0 3 383.448 3.311 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000066920814 1408951975 /nfs/dbraw/zinc/95/19/75/1408951975.db2.gz GZNVIXIPLPAFPX-UHFFFAOYSA-N 0 3 393.487 3.234 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)CC1 ZINC000067125855 1409014837 /nfs/dbraw/zinc/01/48/37/1409014837.db2.gz UDCIQOQUOJFDDC-UHFFFAOYSA-N 0 3 391.471 3.231 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)CC1 ZINC000067144818 1409021304 /nfs/dbraw/zinc/02/13/04/1409021304.db2.gz CSTFFJFBCRZVPB-UHFFFAOYSA-N 0 3 395.482 3.094 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)CC1 ZINC000067206599 1409041644 /nfs/dbraw/zinc/04/16/44/1409041644.db2.gz AMANPMFBEBVVNH-UHFFFAOYSA-N 0 3 381.520 3.341 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000067232548 1409049422 /nfs/dbraw/zinc/04/94/22/1409049422.db2.gz HNSFLXFAAMJZFA-QGZVFWFLSA-N 0 3 376.884 3.182 20 30 GGEDHN C#CCN1CCC(C(=O)NC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000067233892 1409049798 /nfs/dbraw/zinc/04/97/98/1409049798.db2.gz IKKDULDJFNDGLZ-UHFFFAOYSA-N 0 3 375.310 3.290 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)CC1 ZINC000067237653 1409050501 /nfs/dbraw/zinc/05/05/01/1409050501.db2.gz LLJDMWDALSYXON-QGZVFWFLSA-N 0 3 381.520 3.151 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000067305205 1409068277 /nfs/dbraw/zinc/06/82/77/1409068277.db2.gz QEWHGICXYPHLOA-UHFFFAOYSA-N 0 3 387.915 3.253 20 30 GGEDHN C=C(C)COc1cccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000067527383 1409146322 /nfs/dbraw/zinc/14/63/22/1409146322.db2.gz XNYSQWRUSBKQGN-UHFFFAOYSA-N 0 3 395.503 3.170 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000067548894 1409156992 /nfs/dbraw/zinc/15/69/92/1409156992.db2.gz GTYXFPMNPZPDKN-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000067830757 1409240358 /nfs/dbraw/zinc/24/03/58/1409240358.db2.gz DKMDQNYNJKUGHG-UHFFFAOYSA-N 0 3 385.471 3.219 20 30 GGEDHN C=CCOc1ccc(C(=O)C(C#N)c2nc(C(=O)OCC)cs2)cc1OC ZINC000067895907 1409250881 /nfs/dbraw/zinc/25/08/81/1409250881.db2.gz WHMJMGSQSSMBAO-CYBMUJFWSA-N 0 3 386.429 3.383 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn(-c2ccccc2F)n1 ZINC000068310202 1409360577 /nfs/dbraw/zinc/36/05/77/1409360577.db2.gz IYXIVQAGUYYSFX-UHFFFAOYSA-N 0 3 391.450 3.087 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000068309941 1409360590 /nfs/dbraw/zinc/36/05/90/1409360590.db2.gz GKCAEBPDJIVJAL-UHFFFAOYSA-N 0 3 385.471 3.219 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccccc2C(=O)Nc2cccc(OC)c2)CC1 ZINC000068918904 1409524179 /nfs/dbraw/zinc/52/41/79/1409524179.db2.gz BINHZKLREHNMDK-UHFFFAOYSA-N 0 3 391.471 3.231 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000068919589 1409524692 /nfs/dbraw/zinc/52/46/92/1409524692.db2.gz PTZPASVHKOAAFI-UHFFFAOYSA-N 0 3 376.382 3.175 20 30 GGEDHN COc1ccc(CN[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC)c1OC ZINC000068991260 1409537998 /nfs/dbraw/zinc/53/79/98/1409537998.db2.gz QXDZYZWALNPPEK-QGZVFWFLSA-N 0 3 399.466 3.482 20 30 GGEDHN N#CC(C(=O)c1ccnc(OCc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000069346064 1409619360 /nfs/dbraw/zinc/61/93/60/1409619360.db2.gz YIHRJWLLQOFKGV-GOSISDBHSA-N 0 3 387.443 3.469 20 30 GGEDHN N#CCOc1ccc(CNC(=O)NC[C@H](c2ccccc2)N2CCCC2)cc1 ZINC000069722145 1409682841 /nfs/dbraw/zinc/68/28/41/1409682841.db2.gz LLMQBSFWBGDYTG-OAQYLSRUSA-N 0 3 378.476 3.225 20 30 GGEDHN N#CCOc1ccc(CNC(=O)NC[C@H](c2cccs2)N2CCCC2)cc1 ZINC000069729239 1409684986 /nfs/dbraw/zinc/68/49/86/1409684986.db2.gz QVTRYOQDTRLNDH-GOSISDBHSA-N 0 3 384.505 3.287 20 30 GGEDHN N#CCOc1ccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1 ZINC000069729242 1409685503 /nfs/dbraw/zinc/68/55/03/1409685503.db2.gz QVTRYOQDTRLNDH-SFHVURJKSA-N 0 3 384.505 3.287 20 30 GGEDHN C=CCN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)CC1CCCCC1 ZINC000069860278 1409717100 /nfs/dbraw/zinc/71/71/00/1409717100.db2.gz WJPLPRSSBNAFOX-UHFFFAOYSA-N 0 3 383.536 3.263 20 30 GGEDHN COC(=O)[C@@H](NC1CCN(Cc2ccc(F)cc2)CC1)c1cccc(C#N)c1 ZINC000176720671 1428433028 /nfs/dbraw/zinc/43/30/28/1428433028.db2.gz DMQPNYKHVVRASX-NRFANRHFSA-N 0 3 381.451 3.166 20 30 GGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000072895762 1409855012 /nfs/dbraw/zinc/85/50/12/1409855012.db2.gz VWLZVPWFZMXISU-PMACEKPBSA-N 0 3 382.552 3.314 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000074621093 1409873695 /nfs/dbraw/zinc/87/36/95/1409873695.db2.gz COMJTBSWUIZONI-GGAORHGYSA-N 0 3 376.504 3.362 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000078602564 1409928644 /nfs/dbraw/zinc/92/86/44/1409928644.db2.gz ZMMHDPBRHDKKLJ-GOSISDBHSA-N 0 3 384.524 3.087 20 30 GGEDHN Cc1cccc(N2CCN(CCC(=O)N[C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000081484952 1410020229 /nfs/dbraw/zinc/02/02/29/1410020229.db2.gz ORBFJDAVBCITJA-LJQANCHMSA-N 0 3 376.504 3.256 20 30 GGEDHN CN(CCC#N)c1ccc(CN[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 ZINC000090226841 1410063674 /nfs/dbraw/zinc/06/36/74/1410063674.db2.gz NDAIJPQMRZMTKY-QFIPXVFZSA-N 0 3 376.504 3.317 20 30 GGEDHN COC(=O)[C@@H](C)Oc1ccc(CN2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000091792589 1410081517 /nfs/dbraw/zinc/08/15/17/1410081517.db2.gz JSPJLYOVBJAMDN-GOSISDBHSA-N 0 3 393.487 3.211 20 30 GGEDHN CC(=O)Nc1ccc(OC[C@@H](O)CN(Cc2cc(C#N)cs2)C(C)C)cc1 ZINC000093149185 1410226400 /nfs/dbraw/zinc/22/64/00/1410226400.db2.gz MJAPAXPISNSMFO-SFHVURJKSA-N 0 3 387.505 3.228 20 30 GGEDHN N#CCCCOc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534367 1410251113 /nfs/dbraw/zinc/25/11/13/1410251113.db2.gz ZPFPIXAOBAGRCM-KRWDZBQOSA-N 0 3 381.436 3.359 20 30 GGEDHN CNC(=O)CC1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000093588534 1410254737 /nfs/dbraw/zinc/25/47/37/1410254737.db2.gz XANUHAOJZCJUBZ-UHFFFAOYSA-N 0 3 377.488 3.485 20 30 GGEDHN C=C(C)COc1cc(CN2CCC3(CC2)[C@H](OCC)C[C@@H]3O)ccc1OC ZINC000093614449 1410257037 /nfs/dbraw/zinc/25/70/37/1410257037.db2.gz MMBAYTSSVFKIAX-LEWJYISDSA-N 0 3 375.509 3.402 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097570645 1410377702 /nfs/dbraw/zinc/37/77/02/1410377702.db2.gz YLKDVYSRFFWTCX-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000176817421 1428480047 /nfs/dbraw/zinc/48/00/47/1428480047.db2.gz QAKUYLJCAYEDSU-NHCUHLMSSA-N 0 3 386.540 3.083 20 30 GGEDHN CCN1CCN(CCC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000101654079 1410486700 /nfs/dbraw/zinc/48/67/00/1410486700.db2.gz OBACTVVFEHWCKS-UHFFFAOYSA-N 0 3 378.476 3.317 20 30 GGEDHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000101690483 1410490836 /nfs/dbraw/zinc/49/08/36/1410490836.db2.gz LJOKHARGLBFJOM-IBGZPJMESA-N 0 3 390.531 3.229 20 30 GGEDHN N#Cc1ccc(OCCCN2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000101920535 1410523746 /nfs/dbraw/zinc/52/37/46/1410523746.db2.gz GPILJPMAFBILLY-IBGZPJMESA-N 0 3 382.439 3.362 20 30 GGEDHN COc1ccccc1[C@@H]1C[C@H]1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000102230733 1410583660 /nfs/dbraw/zinc/58/36/60/1410583660.db2.gz GQGQFGZCMOIMPR-LEWJYISDSA-N 0 3 377.488 3.261 20 30 GGEDHN Cc1nn(-c2ccccc2)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000102230738 1410584260 /nfs/dbraw/zinc/58/42/60/1410584260.db2.gz CHDQERQGYWNBNZ-UHFFFAOYSA-N 0 3 387.487 3.256 20 30 GGEDHN CC(C)c1nc(CCNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000102574357 1410653375 /nfs/dbraw/zinc/65/33/75/1410653375.db2.gz TXJVZNLPSDKKHK-UHFFFAOYSA-N 0 3 399.564 3.454 20 30 GGEDHN CN(C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)Cc1ccccc1 ZINC000102802788 1410767583 /nfs/dbraw/zinc/76/75/83/1410767583.db2.gz CIAOQGUACOHXRP-INIZCTEOSA-N 0 3 388.418 3.454 20 30 GGEDHN CCC(=O)N1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000103638921 1410870415 /nfs/dbraw/zinc/87/04/15/1410870415.db2.gz FIHLQCGYCRMSBT-YPMHNXCESA-N 0 3 396.274 3.289 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccccc1Cl ZINC000103638532 1410870537 /nfs/dbraw/zinc/87/05/37/1410870537.db2.gz AQMDITAUUDTRDZ-CQSZACIVSA-N 0 3 379.807 3.190 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccccc1Cl ZINC000103638536 1410870607 /nfs/dbraw/zinc/87/06/07/1410870607.db2.gz AQMDITAUUDTRDZ-AWEZNQCLSA-N 0 3 379.807 3.190 20 30 GGEDHN C[C@H]1Oc2c(cccc2C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)NC1=O ZINC000103796657 1410875472 /nfs/dbraw/zinc/87/54/72/1410875472.db2.gz UIQAXPYRVQZPAZ-SKDRFNHKSA-N 0 3 375.306 3.310 20 30 GGEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104314898 1410891585 /nfs/dbraw/zinc/89/15/85/1410891585.db2.gz WYGHLOPMDVRKSW-UHFFFAOYSA-N 0 3 390.915 3.121 20 30 GGEDHN Cc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000104532565 1410899144 /nfs/dbraw/zinc/89/91/44/1410899144.db2.gz RXRHPKZHOIBPMJ-NRFANRHFSA-N 0 3 394.519 3.149 20 30 GGEDHN CN(C(=O)Nc1ccc(CC#N)cc1)C1CCN(CCc2ccccn2)CC1 ZINC000105718616 1411111806 /nfs/dbraw/zinc/11/18/06/1411111806.db2.gz MUPBDWHOIVVFQR-UHFFFAOYSA-N 0 3 377.492 3.318 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1coc(-c2cccs2)n1 ZINC000106019557 1411151282 /nfs/dbraw/zinc/15/12/82/1411151282.db2.gz NEDVLJQKDVMAAY-UHFFFAOYSA-N 0 3 394.500 3.408 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2nn(-c3ccccc3)cc2OCCC)CC1 ZINC000106034393 1411154341 /nfs/dbraw/zinc/15/43/41/1411154341.db2.gz YFQBKRDPWTZKKK-UHFFFAOYSA-N 0 3 382.508 3.431 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)CC1 ZINC000106034757 1411154558 /nfs/dbraw/zinc/15/45/58/1411154558.db2.gz UOLRKGBUFIWPFD-UHFFFAOYSA-N 0 3 389.503 3.499 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cnn3c2nccc3-c2ccccc2)CC1 ZINC000106036532 1411156258 /nfs/dbraw/zinc/15/62/58/1411156258.db2.gz UPAQGYSCVJDYCR-UHFFFAOYSA-N 0 3 375.476 3.167 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2SCC(=O)NC(C)C)CC1 ZINC000106039756 1411157809 /nfs/dbraw/zinc/15/78/09/1411157809.db2.gz UHIUEKCBJUIKJG-UHFFFAOYSA-N 0 3 389.565 3.074 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000106256561 1411184736 /nfs/dbraw/zinc/18/47/36/1411184736.db2.gz RBBQKWJAJSINGX-OAQYLSRUSA-N 0 3 387.524 3.495 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 ZINC000106260961 1411185687 /nfs/dbraw/zinc/18/56/87/1411185687.db2.gz MTCHPSGKJGOQJQ-KRWDZBQOSA-N 0 3 386.540 3.055 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 ZINC000106258987 1411185980 /nfs/dbraw/zinc/18/59/80/1411185980.db2.gz HOCWJQMGGOFHBB-UHFFFAOYSA-N 0 3 384.524 3.265 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000106267105 1411187758 /nfs/dbraw/zinc/18/77/58/1411187758.db2.gz POTUNWUEDKXECL-MRXNPFEDSA-N 0 3 386.496 3.044 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000106275380 1411188541 /nfs/dbraw/zinc/18/85/41/1411188541.db2.gz AXNODYZFZNBXNP-UHFFFAOYSA-N 0 3 382.508 3.152 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCc2ccc(OCC)c(OCC)c2)CC1 ZINC000106275991 1411189391 /nfs/dbraw/zinc/18/93/91/1411189391.db2.gz YOVXSJOYGWAXGP-UHFFFAOYSA-N 0 3 389.540 3.366 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335660 1411197355 /nfs/dbraw/zinc/19/73/55/1411197355.db2.gz BLOGWMFXVYWDOS-IRXDYDNUSA-N 0 3 398.429 3.022 20 30 GGEDHN CCN(CC)[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000106335655 1411197415 /nfs/dbraw/zinc/19/74/15/1411197415.db2.gz BLOGWMFXVYWDOS-SJORKVTESA-N 0 3 398.429 3.022 20 30 GGEDHN Cc1ccc(C(=O)N[C@H](CC(=O)C(C#N)C(=O)NC(C)C)c2ccccc2)cc1 ZINC000106353808 1411202857 /nfs/dbraw/zinc/20/28/57/1411202857.db2.gz JEBCKWSRCVIPSB-WOJBJXKFSA-N 0 3 391.471 3.090 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCOc2ccccc2C(F)(F)F)CC1 ZINC000106562938 1411248428 /nfs/dbraw/zinc/24/84/28/1411248428.db2.gz VRZXTUSELSDDPU-UHFFFAOYSA-N 0 3 385.430 3.424 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000106575668 1411251706 /nfs/dbraw/zinc/25/17/06/1411251706.db2.gz PJDCJMHJJFRHQL-OAQYLSRUSA-N 0 3 380.467 3.458 20 30 GGEDHN COc1cccc([C@@H]2C[C@H]2C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000106619864 1411265736 /nfs/dbraw/zinc/26/57/36/1411265736.db2.gz IUWXQBBTPOZNKO-FCHUYYIVSA-N 0 3 377.488 3.261 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000107408280 1411375280 /nfs/dbraw/zinc/37/52/80/1411375280.db2.gz LHLJCXWCYJODHG-RBSFLKMASA-N 0 3 383.275 3.349 20 30 GGEDHN N#CC(C(=O)CCc1cc(Br)cs1)C(=O)Nc1ccccn1 ZINC000107409931 1411375473 /nfs/dbraw/zinc/37/54/73/1411375473.db2.gz ZTJWXULRXPMCDE-GFCCVEGCSA-N 0 3 378.251 3.186 20 30 GGEDHN COCc1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)ccc1F ZINC000107853266 1411419580 /nfs/dbraw/zinc/41/95/80/1411419580.db2.gz RBDCSFGXXXMJNR-UHFFFAOYSA-N 0 3 398.482 3.117 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1 ZINC000108278746 1411462920 /nfs/dbraw/zinc/46/29/20/1411462920.db2.gz QTQFHJWOZIBVFC-UHFFFAOYSA-N 0 3 381.476 3.327 20 30 GGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(C2CCCC2)CC1 ZINC000108358255 1411480149 /nfs/dbraw/zinc/48/01/49/1411480149.db2.gz LINKLZVNRIMMEO-KRWDZBQOSA-N 0 3 386.565 3.437 20 30 GGEDHN COCCN1CCC(NC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000108529068 1411530666 /nfs/dbraw/zinc/53/06/66/1411530666.db2.gz QIPCNCRTPHTLGZ-HNNXBMFYSA-N 0 3 376.526 3.171 20 30 GGEDHN CC(C)(CNC(=O)C(=O)Nc1ccccc1SCCC#N)N1CCCCC1 ZINC000108604602 1411548085 /nfs/dbraw/zinc/54/80/85/1411548085.db2.gz KZEZNFTWWMFWKT-UHFFFAOYSA-N 0 3 388.537 3.012 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccccc3F)cc2)CC1 ZINC000108799813 1411615934 /nfs/dbraw/zinc/61/59/34/1411615934.db2.gz NUDWGEQKEKQASP-NRFANRHFSA-N 0 3 380.467 3.351 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1ccc(F)c(Cl)c1 ZINC000108937855 1411646832 /nfs/dbraw/zinc/64/68/32/1411646832.db2.gz CVDGRFRRBJJHNN-CQSZACIVSA-N 0 3 397.797 3.329 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2ccccc2)nnn1-c1cccc2cnccc21 ZINC000108937860 1411646874 /nfs/dbraw/zinc/64/68/74/1411646874.db2.gz QNVHQFBWSAKUBP-GOSISDBHSA-N 0 3 396.410 3.085 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CC1 ZINC000109108730 1411685786 /nfs/dbraw/zinc/68/57/86/1411685786.db2.gz YRTJBUUWMQPPRF-UHFFFAOYSA-N 0 3 396.878 3.271 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)CN1C1CC1 ZINC000177100015 1428588109 /nfs/dbraw/zinc/58/81/09/1428588109.db2.gz FXJOOQHVEJOPEA-UZLBHIALSA-N 0 3 375.472 3.492 20 30 GGEDHN CCCCN1CCC(NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000109340748 1411744447 /nfs/dbraw/zinc/74/44/47/1411744447.db2.gz BXWGTUAWMLYVJY-UHFFFAOYSA-N 0 3 389.443 3.120 20 30 GGEDHN CN(C(=O)Nc1ccc(C(C)(C)C#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000109381807 1411751729 /nfs/dbraw/zinc/75/17/29/1411751729.db2.gz NRCPKBQKSBBWHF-UHFFFAOYSA-N 0 3 394.523 3.313 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)CC1 ZINC000109666980 1411802426 /nfs/dbraw/zinc/80/24/26/1411802426.db2.gz KXHRCEGVEDANMK-UHFFFAOYSA-N 0 3 382.508 3.378 20 30 GGEDHN CN(Cc1cccc(C#N)c1)C(=O)CCCN1CCN(c2ccccc2)CC1 ZINC000109741744 1411807294 /nfs/dbraw/zinc/80/72/94/1411807294.db2.gz QOQXLNJSDMABSB-UHFFFAOYSA-N 0 3 376.504 3.119 20 30 GGEDHN COc1cc(/C=C/C(=O)NC[C@@H](C)N(C)Cc2ccccc2)ccc1OCC#N ZINC000110352614 1411846153 /nfs/dbraw/zinc/84/61/53/1411846153.db2.gz MVRSKAQLWGURJB-NCUBBLFSSA-N 0 3 393.487 3.247 20 30 GGEDHN N#Cc1cccc(OCCN2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000110421732 1411849917 /nfs/dbraw/zinc/84/99/17/1411849917.db2.gz SJKLAQCICFOURS-UHFFFAOYSA-N 0 3 375.432 3.262 20 30 GGEDHN C=CC1CCN(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000111471176 1411974828 /nfs/dbraw/zinc/97/48/28/1411974828.db2.gz WRJFHPDFCXTWAW-UHFFFAOYSA-N 0 3 384.568 3.192 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)CN1C1CC1 ZINC000177172434 1428613006 /nfs/dbraw/zinc/61/30/06/1428613006.db2.gz WJUOLDXOTIDXLS-OXQOHEQNSA-N 0 3 375.472 3.492 20 30 GGEDHN COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000177174763 1428613777 /nfs/dbraw/zinc/61/37/77/1428613777.db2.gz GJFGAAAXZJUWIG-GCJKJVERSA-N 0 3 377.488 3.369 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000111879720 1412042811 /nfs/dbraw/zinc/04/28/11/1412042811.db2.gz JWHDFLZLPMMSPR-NRFANRHFSA-N 0 3 376.504 3.361 20 30 GGEDHN N#Cc1cccc(OCCCCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000111944630 1412060613 /nfs/dbraw/zinc/06/06/13/1412060613.db2.gz HMHUGIRNWVRKLN-HXUWFJFHSA-N 0 3 375.428 3.133 20 30 GGEDHN N#Cc1cccc(OCCCCC(=O)C(C#N)C(=O)NCc2ccccc2)c1 ZINC000111944627 1412060685 /nfs/dbraw/zinc/06/06/85/1412060685.db2.gz HMHUGIRNWVRKLN-FQEVSTJZSA-N 0 3 375.428 3.133 20 30 GGEDHN CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)C(C#N)c1nc(C)cs1 ZINC000112483362 1412154604 /nfs/dbraw/zinc/15/46/04/1412154604.db2.gz MLIXBRQCXRBGJJ-CVEARBPZSA-N 0 3 387.530 3.108 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)nc1Cl ZINC000112821144 1412221900 /nfs/dbraw/zinc/22/19/00/1412221900.db2.gz MTOHVVYMDVAPQP-UHFFFAOYSA-N 0 3 377.275 3.464 20 30 GGEDHN C#CCOc1ccc(CNCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000113328385 1412293031 /nfs/dbraw/zinc/29/30/31/1412293031.db2.gz RGPXHKVKHZKDKJ-KDURUIRLSA-N 0 3 392.499 3.238 20 30 GGEDHN C#CCOc1ccc(CN[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000113336505 1412294146 /nfs/dbraw/zinc/29/41/46/1412294146.db2.gz IQQLSQAEAGVWAY-SFHVURJKSA-N 0 3 381.495 3.440 20 30 GGEDHN C#CCOc1ccc(CN[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1 ZINC000113336508 1412294328 /nfs/dbraw/zinc/29/43/28/1412294328.db2.gz IQQLSQAEAGVWAY-GOSISDBHSA-N 0 3 381.495 3.440 20 30 GGEDHN CC[C@@H](C#N)Oc1cc(CNCc2cn(C)nc2-c2ccncc2)ccc1OC ZINC000113347618 1412295194 /nfs/dbraw/zinc/29/51/94/1412295194.db2.gz ZPIRBOXPWHQWNQ-IBGZPJMESA-N 0 3 391.475 3.461 20 30 GGEDHN CC[C@@H](C#N)Oc1cc(CNCc2cnc3c(c2)c(C)nn3C)ccc1OC ZINC000113347511 1412295233 /nfs/dbraw/zinc/29/52/33/1412295233.db2.gz BMMUVRRRUREREW-KRWDZBQOSA-N 0 3 379.464 3.256 20 30 GGEDHN CC[C@H](C#N)Oc1cc(CNCc2cn(C)nc2-c2ccncc2)ccc1OC ZINC000113347620 1412295293 /nfs/dbraw/zinc/29/52/93/1412295293.db2.gz ZPIRBOXPWHQWNQ-LJQANCHMSA-N 0 3 391.475 3.461 20 30 GGEDHN N#CCOc1cccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000113347104 1412295620 /nfs/dbraw/zinc/29/56/20/1412295620.db2.gz NIMCYQMMGHWFDK-UHFFFAOYSA-N 0 3 376.416 3.040 20 30 GGEDHN CC[C@H](C#N)Oc1cc(CNCc2cn(C)nc2-c2cccnc2)ccc1OC ZINC000113348030 1412296435 /nfs/dbraw/zinc/29/64/35/1412296435.db2.gz VIONTYMYWKEHRI-LJQANCHMSA-N 0 3 391.475 3.461 20 30 GGEDHN CC[C@@H](CNC(=O)NCc1cccc(OCC#N)c1)N1CCc2ccccc2C1 ZINC000113374504 1412300478 /nfs/dbraw/zinc/30/04/78/1412300478.db2.gz OUEOPKYHGJNLSO-NRFANRHFSA-N 0 3 392.503 3.225 20 30 GGEDHN N#CCOc1cccc(CNC(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000113410992 1412304771 /nfs/dbraw/zinc/30/47/71/1412304771.db2.gz NWVUVHMLOYYXGM-UHFFFAOYSA-N 0 3 378.476 3.006 20 30 GGEDHN N#CCOc1cccc(CNC(=O)NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000113580646 1412318033 /nfs/dbraw/zinc/31/80/33/1412318033.db2.gz HDVQJIWIYNTDOM-SFHVURJKSA-N 0 3 384.505 3.287 20 30 GGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)NCc1cccc(OCC#N)c1 ZINC000113630548 1412323999 /nfs/dbraw/zinc/32/39/99/1412323999.db2.gz LQNAAKCHMDPORL-UHFFFAOYSA-N 0 3 384.455 3.001 20 30 GGEDHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1cccc(OCC#N)c1 ZINC000113629595 1412324033 /nfs/dbraw/zinc/32/40/33/1412324033.db2.gz NGFCGQCJEJSJJS-UHFFFAOYSA-N 0 3 384.455 3.001 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCC(=O)N(CCC#N)c1ccccc1 ZINC000113650814 1412330967 /nfs/dbraw/zinc/33/09/67/1412330967.db2.gz OUFROKLNUHCOAJ-GOSISDBHSA-N 0 3 399.454 3.477 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1Oc1ccccc1)C(=O)c1ccc2nncn2c1 ZINC000113652861 1412331304 /nfs/dbraw/zinc/33/13/04/1412331304.db2.gz GYTWKMCFQANKNH-KRWDZBQOSA-N 0 3 397.394 3.483 20 30 GGEDHN CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000113980990 1412363229 /nfs/dbraw/zinc/36/32/29/1412363229.db2.gz OZPDCKSCHSNDHX-CTNGQTDRSA-N 0 3 380.492 3.470 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000114527301 1412453685 /nfs/dbraw/zinc/45/36/85/1412453685.db2.gz DHGUYKUBMOXLSB-AWEZNQCLSA-N 0 3 379.476 3.244 20 30 GGEDHN COc1ccc(CCNC(=O)C(C#N)C(=O)[C@@H](C)CC2CCCC2)cc1OC ZINC000114618090 1412478989 /nfs/dbraw/zinc/47/89/89/1412478989.db2.gz AJKTWRVSDLZFAQ-YJBOKZPZSA-N 0 3 386.492 3.288 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000114960526 1412557249 /nfs/dbraw/zinc/55/72/49/1412557249.db2.gz JBHFFPIMSQZEJJ-UHFFFAOYSA-N 0 3 381.524 3.492 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115029609 1412572356 /nfs/dbraw/zinc/57/23/56/1412572356.db2.gz FMZXSMGUKASTMF-JOCHJYFZSA-N 0 3 377.488 3.153 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC000115760419 1412781722 /nfs/dbraw/zinc/78/17/22/1412781722.db2.gz ZOFCTWZELJDKKL-UHFFFAOYSA-N 0 3 384.524 3.331 20 30 GGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(F)c1 ZINC000116593195 1412884863 /nfs/dbraw/zinc/88/48/63/1412884863.db2.gz NYZBPGJAJVSGBL-LIRRHRJNSA-N 0 3 395.434 3.369 20 30 GGEDHN C[C@H](CC(=O)C(C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1)c1cccc(F)c1 ZINC000116593192 1412884901 /nfs/dbraw/zinc/88/49/01/1412884901.db2.gz NYZBPGJAJVSGBL-AUUYWEPGSA-N 0 3 395.434 3.369 20 30 GGEDHN CNC(=O)C1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000116876898 1412947434 /nfs/dbraw/zinc/94/74/34/1412947434.db2.gz RCMBXLLZZXKDGQ-UHFFFAOYSA-N 0 3 393.487 3.104 20 30 GGEDHN COc1cc(CN(C)CCn2cccn2)ccc1OCc1cccc(C#N)c1 ZINC000116879370 1412947619 /nfs/dbraw/zinc/94/76/19/1412947619.db2.gz YTXKKSJQBNRXPA-UHFFFAOYSA-N 0 3 376.460 3.474 20 30 GGEDHN CCN(C)CCNC(=O)C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000118108912 1413111158 /nfs/dbraw/zinc/11/11/58/1413111158.db2.gz OTUBAHHOAOIBIX-GOSISDBHSA-N 0 3 398.894 3.002 20 30 GGEDHN N#Cc1cccc(C(=O)NC2CCN(CCOc3ccc(Cl)cc3)CC2)c1 ZINC000118746757 1413214759 /nfs/dbraw/zinc/21/47/59/1413214759.db2.gz HQCXCHOFYSNMKX-UHFFFAOYSA-N 0 3 383.879 3.485 20 30 GGEDHN C=CCCO[C@@H](C)C(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000118746930 1413215472 /nfs/dbraw/zinc/21/54/72/1413215472.db2.gz IOAFRBFORCUNKK-INIZCTEOSA-N 0 3 380.916 3.281 20 30 GGEDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccccc3OCC#N)c2)CC1 ZINC000118951561 1413271236 /nfs/dbraw/zinc/27/12/36/1413271236.db2.gz KLAINVGWNAAJPI-UHFFFAOYSA-N 0 3 378.476 3.372 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(C)cc2OCCOCC)CC1 ZINC000119127994 1413348106 /nfs/dbraw/zinc/34/81/06/1413348106.db2.gz RTSNIQMEVLXPLS-UHFFFAOYSA-N 0 3 389.540 3.250 20 30 GGEDHN COCCN(CCN(C)C)C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1 ZINC000119235547 1413384681 /nfs/dbraw/zinc/38/46/81/1413384681.db2.gz UOJGPHYEUQWUQH-UHFFFAOYSA-N 0 3 381.476 3.309 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccccc2C)cc1 ZINC000119363501 1413424905 /nfs/dbraw/zinc/42/49/05/1413424905.db2.gz IUJLQSONFIFSIS-LJQANCHMSA-N 0 3 380.444 3.188 20 30 GGEDHN N#Cc1cc(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)ccc1F ZINC000119378474 1413429429 /nfs/dbraw/zinc/42/94/29/1413429429.db2.gz YOHWQSBIOFJYHK-FQEVSTJZSA-N 0 3 393.510 3.127 20 30 GGEDHN COCCCNC(=O)C(C#N)C(=O)CCCc1cc(Cl)sc1Cl ZINC000119913416 1413614517 /nfs/dbraw/zinc/61/45/17/1413614517.db2.gz VQGPXMMXMDPOIV-LLVKDONJSA-N 0 3 377.293 3.239 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000120034508 1413661848 /nfs/dbraw/zinc/66/18/48/1413661848.db2.gz GSOCZEYWEZJYIB-MRXNPFEDSA-N 0 3 398.536 3.146 20 30 GGEDHN C[C@H](Sc1nncn1C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120041451 1413664614 /nfs/dbraw/zinc/66/46/14/1413664614.db2.gz IVMJTSJQTBDXBK-WCBMZHEXSA-N 0 3 377.882 3.435 20 30 GGEDHN C[C@@H](Sc1nncn1C)C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000120041555 1413664725 /nfs/dbraw/zinc/66/47/25/1413664725.db2.gz IVMJTSJQTBDXBK-PSASIEDQSA-N 0 3 377.882 3.435 20 30 GGEDHN CCOC(=O)c1ccc(NC(=O)C(C#N)C(=O)Cc2ccc(F)cc2F)cc1 ZINC000120076665 1413677774 /nfs/dbraw/zinc/67/77/74/1413677774.db2.gz RAHGMQUIPPWHDF-MRXNPFEDSA-N 0 3 386.354 3.032 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C)cc2c1)C(C)C ZINC000120271759 1413762567 /nfs/dbraw/zinc/76/25/67/1413762567.db2.gz MHHPWRRXAXECGN-FQEVSTJZSA-N 0 3 382.508 3.230 20 30 GGEDHN C[C@@H](N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)C(=O)NC1(C#N)CCCCC1 ZINC000120292974 1413771265 /nfs/dbraw/zinc/77/12/65/1413771265.db2.gz YPADUAKILRKZTI-JKSUJKDBSA-N 0 3 397.523 3.352 20 30 GGEDHN Cc1cc(C(=O)CON=C(N)c2ccc(N(C)C)cc2)c(C)n1CC(F)(F)F ZINC000120368078 1413803792 /nfs/dbraw/zinc/80/37/92/1413803792.db2.gz CIKIRAHPMODPJF-UHFFFAOYSA-N 0 3 396.413 3.253 20 30 GGEDHN Cc1cc(C([O-])=CONC(=[NH2+])c2ccc(N(C)C)cc2)c(C)n1CC(F)(F)F ZINC000120368078 1413803794 /nfs/dbraw/zinc/80/37/94/1413803794.db2.gz CIKIRAHPMODPJF-UHFFFAOYSA-N 0 3 396.413 3.253 20 30 GGEDHN CC(=O)CCc1ccc(O[C@@H](C)C(=O)C(C#N)C(=O)NCc2ccccc2)cc1 ZINC000120377362 1413805352 /nfs/dbraw/zinc/80/53/52/1413805352.db2.gz GWVAECKNPQFRMG-LAUBAEHRSA-N 0 3 392.455 3.001 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cnn(-c3ccccc3Cl)c2)cc1 ZINC000120464294 1413824099 /nfs/dbraw/zinc/82/40/99/1413824099.db2.gz POVNQYYMHLOVLQ-INIZCTEOSA-N 0 3 394.818 3.495 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000177492859 1428767468 /nfs/dbraw/zinc/76/74/68/1428767468.db2.gz HRMOOKZAKSXWSB-YHAMSUFESA-N 0 3 377.554 3.167 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCCNC(=O)c1ccc(F)cc1 ZINC000120947166 1413956609 /nfs/dbraw/zinc/95/66/09/1413956609.db2.gz PMHOECJEKBWEAR-INIZCTEOSA-N 0 3 378.407 3.099 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000177501671 1428772095 /nfs/dbraw/zinc/77/20/95/1428772095.db2.gz XFGQEQTWNDGTQP-MRXNPFEDSA-N 0 3 383.496 3.061 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000121131469 1414019132 /nfs/dbraw/zinc/01/91/32/1414019132.db2.gz FWLNPMDEOWULLY-UHFFFAOYSA-N 0 3 386.839 3.324 20 30 GGEDHN CN(C)CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000121250983 1414059356 /nfs/dbraw/zinc/05/93/56/1414059356.db2.gz AERLLXXCGYDVHC-UHFFFAOYSA-N 0 3 390.915 3.121 20 30 GGEDHN N#Cc1cccc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000121654629 1414212850 /nfs/dbraw/zinc/21/28/50/1414212850.db2.gz KOYIEMHPOIHPGE-UHFFFAOYSA-N 0 3 384.379 3.020 20 30 GGEDHN Cc1sc(=O)n(CC(=O)C(C#N)c2nc(-c3ccc(C#N)cc3)cs2)c1C ZINC000121871638 1414285574 /nfs/dbraw/zinc/28/55/74/1414285574.db2.gz FQSQXNYXKYVEGV-HNNXBMFYSA-N 0 3 394.481 3.398 20 30 GGEDHN C[C@@H](NC(=O)C(C)(C)C)C(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000121900652 1414299031 /nfs/dbraw/zinc/29/90/31/1414299031.db2.gz WNYKUMWWLVRUAO-DOMZBBRYSA-N 0 3 380.473 3.409 20 30 GGEDHN COc1ccc2cc(C(=O)C(C#N)c3nnc4n3CCCCC4)c(C)nc2c1 ZINC000122072980 1414355615 /nfs/dbraw/zinc/35/56/15/1414355615.db2.gz PIUFURBMJPDXJM-QGZVFWFLSA-N 0 3 375.432 3.360 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000122140627 1414371520 /nfs/dbraw/zinc/37/15/20/1414371520.db2.gz MPITVGHXWAQNMJ-ZDUSSCGKSA-N 0 3 377.429 3.494 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)CCc1nc(-c2ccsc2)no1 ZINC000122197644 1414385887 /nfs/dbraw/zinc/38/58/87/1414385887.db2.gz GNDLRFNFEKSEHT-ZDUSSCGKSA-N 0 3 377.429 3.494 20 30 GGEDHN CC(C)c1nnc(CCC(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1 ZINC000177601589 1428807999 /nfs/dbraw/zinc/80/79/99/1428807999.db2.gz KMYJFDKOWDKJPC-NSHDSACASA-N 0 3 378.791 3.266 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)cc1 ZINC000122499780 1414483264 /nfs/dbraw/zinc/48/32/64/1414483264.db2.gz OEKDVUZDGYBJHF-UNMCSNQZSA-N 0 3 395.528 3.233 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000122612875 1414517056 /nfs/dbraw/zinc/51/70/56/1414517056.db2.gz KEBUELWXZXYHLM-UHFFFAOYSA-N 0 3 378.904 3.204 20 30 GGEDHN COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc2c1OCO2 ZINC000122800379 1414567898 /nfs/dbraw/zinc/56/78/98/1414567898.db2.gz IJXUVVFMTJQFJW-UHFFFAOYSA-N 0 3 379.460 3.003 20 30 GGEDHN COc1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)c(OC)c1OC ZINC000122810073 1414570375 /nfs/dbraw/zinc/57/03/75/1414570375.db2.gz SLKUFSXMRWARLW-UHFFFAOYSA-N 0 3 395.503 3.292 20 30 GGEDHN N#Cc1ccc(CN2CCCN(Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000122815228 1414571720 /nfs/dbraw/zinc/57/17/20/1414571720.db2.gz MDLCRULBXJFOSA-UHFFFAOYSA-N 0 3 375.520 3.261 20 30 GGEDHN Cn1c2ccccc2nc1C(C#N)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000123032759 1414623787 /nfs/dbraw/zinc/62/37/87/1414623787.db2.gz XTTXVNCHKGWTQQ-MRXNPFEDSA-N 0 3 386.371 3.157 20 30 GGEDHN N#Cc1ccc([C@H](O)CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000123081980 1414636629 /nfs/dbraw/zinc/63/66/29/1414636629.db2.gz YTYWDYNRFZHRKQ-HXUWFJFHSA-N 0 3 382.439 3.017 20 30 GGEDHN CCn1c(SCC(=O)C(C#N)c2nc(C)cs2)nnc1-c1ccccn1 ZINC000123476359 1414746059 /nfs/dbraw/zinc/74/60/59/1414746059.db2.gz RDCCXRUBSUKDKU-LBPRGKRZSA-N 0 3 384.490 3.094 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)Cc1c(C)nn(C(F)F)c1C ZINC000123695315 1414811052 /nfs/dbraw/zinc/81/10/52/1414811052.db2.gz FTURGOOEHOKUAS-AWEZNQCLSA-N 0 3 390.390 3.184 20 30 GGEDHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000123704904 1414812835 /nfs/dbraw/zinc/81/28/35/1414812835.db2.gz IGJAZSXEDVNAOS-FQEVSTJZSA-N 0 3 393.535 3.238 20 30 GGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123750823 1414819672 /nfs/dbraw/zinc/81/96/72/1414819672.db2.gz YFHWUKGEWFCNMJ-LSDHHAIUSA-N 0 3 385.899 3.227 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000123950228 1414856198 /nfs/dbraw/zinc/85/61/98/1414856198.db2.gz KYTDWJLJYLJVBQ-GOSISDBHSA-N 0 3 384.505 3.070 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000124009134 1414868638 /nfs/dbraw/zinc/86/86/38/1414868638.db2.gz MUROPYKCBQUEGB-OAHLLOKOSA-N 0 3 399.332 3.247 20 30 GGEDHN CN(CCC#N)C(=O)CCN[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1 ZINC000124097431 1414885395 /nfs/dbraw/zinc/88/53/95/1414885395.db2.gz QMCZMZLCCXWVQH-HXUWFJFHSA-N 0 3 393.466 3.268 20 30 GGEDHN CCOCCCNC(=O)C(C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000124345323 1414945247 /nfs/dbraw/zinc/94/52/47/1414945247.db2.gz ORRUUBGUPIYKJY-WCQYABFASA-N 0 3 387.263 3.012 20 30 GGEDHN Cc1nn(-c2ccccc2)c2sc(C(=O)C(C#N)C(=O)N3CCCC3)cc12 ZINC000124433289 1414966725 /nfs/dbraw/zinc/96/67/25/1414966725.db2.gz YFZFGQBCQRXTCV-INIZCTEOSA-N 0 3 378.457 3.340 20 30 GGEDHN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)C(C#N)C(=O)N3CCCC3)cc12 ZINC000124437779 1414968362 /nfs/dbraw/zinc/96/83/62/1414968362.db2.gz ZOLNCUFJRZFEDU-MRXNPFEDSA-N 0 3 396.447 3.479 20 30 GGEDHN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000124807923 1415049440 /nfs/dbraw/zinc/04/94/40/1415049440.db2.gz QFEHLWHHPRREAL-SLFFLAALSA-N 0 3 382.552 3.244 20 30 GGEDHN N#CC(C(=O)CCSc1ccccc1Br)C(=O)N1CCCC1 ZINC000124840936 1415056932 /nfs/dbraw/zinc/05/69/32/1415056932.db2.gz DRDLUEIRNQWUOD-GFCCVEGCSA-N 0 3 381.295 3.263 20 30 GGEDHN N#CC(C(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)N1CCCC1 ZINC000124894312 1415068445 /nfs/dbraw/zinc/06/84/45/1415068445.db2.gz ZJWZKBBAJFBNDE-HNNXBMFYSA-N 0 3 386.839 3.044 20 30 GGEDHN N#CC(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1ccccn1 ZINC000125089578 1415107038 /nfs/dbraw/zinc/10/70/38/1415107038.db2.gz BOJZSSQWYRBVTI-CQSZACIVSA-N 0 3 395.806 3.065 20 30 GGEDHN Cc1cc(NC(=O)c2ccco2)sc1C(=O)C(C#N)C(=O)Nc1ccccn1 ZINC000125187995 1415126421 /nfs/dbraw/zinc/12/64/21/1415126421.db2.gz FNJXDHODEVSJDL-GFCCVEGCSA-N 0 3 394.412 3.258 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1 ZINC000125358624 1415174524 /nfs/dbraw/zinc/17/45/24/1415174524.db2.gz GXZCNAHPWFNHGD-UHFFFAOYSA-N 0 3 377.488 3.454 20 30 GGEDHN Cc1cccc(C)c1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000125374950 1415179967 /nfs/dbraw/zinc/17/99/67/1415179967.db2.gz SRPMSFJAZOHJAA-UHFFFAOYSA-N 0 3 378.520 3.491 20 30 GGEDHN C[C@H]1CN(CC2CCN(C(=O)c3ccc(C#N)c(Cl)c3)CC2)C[C@H](C)O1 ZINC000125416734 1415192396 /nfs/dbraw/zinc/19/23/96/1415192396.db2.gz OHZUOBUOYZAFEC-GJZGRUSLSA-N 0 3 375.900 3.173 20 30 GGEDHN Cc1cc(Cl)ccc1O[C@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C ZINC000125444562 1415200766 /nfs/dbraw/zinc/20/07/66/1415200766.db2.gz BBKXPCQIPRNRRE-ZBFHGGJFSA-N 0 3 380.872 3.056 20 30 GGEDHN Cc1cc(-c2noc(CCC(=O)C(C#N)C(=O)NC3CCCCC3)n2)ccc1F ZINC000125509929 1415216737 /nfs/dbraw/zinc/21/67/37/1415216737.db2.gz YCXSONCCTGWWSB-MRXNPFEDSA-N 0 3 398.438 3.275 20 30 GGEDHN Cc1c(C(=O)C(C#N)C(=O)Nc2cccc(C)c2)nnn1-c1cccc(Cl)c1 ZINC000125522464 1415219990 /nfs/dbraw/zinc/21/99/90/1415219990.db2.gz ZTPKHIPFSQZZQT-KRWDZBQOSA-N 0 3 393.834 3.499 20 30 GGEDHN Cc1ccc(-c2noc(CCC(=O)C(C#N)C(=O)Nc3ccccc3)n2)cc1F ZINC000125527899 1415220418 /nfs/dbraw/zinc/22/04/18/1415220418.db2.gz XSMNDWLUSVKUNG-INIZCTEOSA-N 0 3 392.390 3.464 20 30 GGEDHN Cc1ccc(Cl)c(O[C@@H](C)C(=O)C(C#N)C(=O)NCCCOC(C)C)c1 ZINC000125537873 1415222222 /nfs/dbraw/zinc/22/22/22/1415222222.db2.gz SQXSQRSPGRLEFP-GJZGRUSLSA-N 0 3 380.872 3.056 20 30 GGEDHN CCc1ccc(NC(=O)C(C#N)C(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 ZINC000125543710 1415223453 /nfs/dbraw/zinc/22/34/53/1415223453.db2.gz WVRDXKTWIHFSLY-IBGZPJMESA-N 0 3 387.443 3.408 20 30 GGEDHN C[C@@H](Sc1nnnn1C1CC1)C(=O)C(C#N)c1nc(-c2ccccc2)cs1 ZINC000125699666 1415257629 /nfs/dbraw/zinc/25/76/29/1415257629.db2.gz NMPGFQFJXMHJSY-BXUZGUMPSA-N 0 3 396.501 3.489 20 30 GGEDHN C#CCOc1ccc([C@H](C)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000177895762 1428885993 /nfs/dbraw/zinc/88/59/93/1428885993.db2.gz KGPJALWVWVSKTB-SFHVURJKSA-N 0 3 398.528 3.334 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 ZINC000177902766 1428887611 /nfs/dbraw/zinc/88/76/11/1428887611.db2.gz FTMYBBOHKSBJFN-HZPDHXFCSA-N 0 3 388.487 3.441 20 30 GGEDHN N#Cc1cccc(OCCCN2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1 ZINC000125956016 1415321983 /nfs/dbraw/zinc/32/19/83/1415321983.db2.gz PPTUINSXCDURTI-LJQANCHMSA-N 0 3 382.439 3.362 20 30 GGEDHN CCN(CC)CCN(CCC(F)(F)F)S(=O)(=O)c1cccc(C)c1C#N ZINC000125960063 1415323124 /nfs/dbraw/zinc/32/31/24/1415323124.db2.gz ULSRPPBPIVBVRC-UHFFFAOYSA-N 0 3 391.459 3.152 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000126210587 1415385208 /nfs/dbraw/zinc/38/52/08/1415385208.db2.gz HROJFEBWAUUNFC-SFHVURJKSA-N 0 3 395.551 3.451 20 30 GGEDHN N#CCCN(CCC#N)C(=O)CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000177996865 1428922778 /nfs/dbraw/zinc/92/27/78/1428922778.db2.gz OEMPQJUIASYSHE-LEWJYISDSA-N 0 3 382.508 3.011 20 30 GGEDHN C[C@@H]1CN(CCC2CCN(C(=O)c3c(F)cc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000127237103 1415698623 /nfs/dbraw/zinc/69/86/23/1415698623.db2.gz QQOVWHJESMKSGN-GASCZTMLSA-N 0 3 391.462 3.188 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCNC(=O)c2ccc(F)cc2F)c1 ZINC000127580230 1415813209 /nfs/dbraw/zinc/81/32/09/1415813209.db2.gz FGWMKAJRCAMTLR-KRWDZBQOSA-N 0 3 399.397 3.131 20 30 GGEDHN N#Cc1cccc(COc2cccc(CN3CCC(N4CCNC4=O)CC3)c2)c1 ZINC000127613039 1415819621 /nfs/dbraw/zinc/81/96/21/1415819621.db2.gz WGDYGDHFOCQDOF-UHFFFAOYSA-N 0 3 390.487 3.127 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccn(-c3ccccc3Cl)n2)c1 ZINC000127649971 1415825751 /nfs/dbraw/zinc/82/57/51/1415825751.db2.gz XEICVLVEAYHIQO-OAHLLOKOSA-N 0 3 394.818 3.495 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2ccn(-c3ccccc3Cl)n2)c1 ZINC000127649752 1415825777 /nfs/dbraw/zinc/82/57/77/1415825777.db2.gz XEICVLVEAYHIQO-HNNXBMFYSA-N 0 3 394.818 3.495 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCNC(=O)NC2CCCCC2)c1 ZINC000127728785 1415840015 /nfs/dbraw/zinc/84/00/15/1415840015.db2.gz MYPWTASTTNRCLV-SFHVURJKSA-N 0 3 384.480 3.055 20 30 GGEDHN Cc1cccc(NC(=O)C(C#N)C(=O)CCCNC(=O)NC2CCCCC2)c1 ZINC000127728981 1415840205 /nfs/dbraw/zinc/84/02/05/1415840205.db2.gz MYPWTASTTNRCLV-GOSISDBHSA-N 0 3 384.480 3.055 20 30 GGEDHN CO/N=C/c1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000178240770 1429028819 /nfs/dbraw/zinc/02/88/19/1429028819.db2.gz MMVURFNFAZKHGD-FPTXZJODSA-N 0 3 387.524 3.018 20 30 GGEDHN CO/N=C/c1ccc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000178240793 1429028934 /nfs/dbraw/zinc/02/89/34/1429028934.db2.gz MMVURFNFAZKHGD-JPHQKMQESA-N 0 3 387.524 3.018 20 30 GGEDHN COc1ccc(-c2noc(CCC(=O)C(C#N)C(=O)Nc3ccccc3)n2)cc1 ZINC000128155016 1415927064 /nfs/dbraw/zinc/92/70/64/1415927064.db2.gz VDCDZMWRRKGBMV-QGZVFWFLSA-N 0 3 390.399 3.025 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)CC1 ZINC000178221705 1429021769 /nfs/dbraw/zinc/02/17/69/1429021769.db2.gz DSLZIFKKZWOXBJ-UHFFFAOYSA-N 0 3 394.401 3.058 20 30 GGEDHN C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2OC)N2CCCC2)nc1 ZINC000178229317 1429024592 /nfs/dbraw/zinc/02/45/92/1429024592.db2.gz OUXFLZOIDSCTPA-IBGZPJMESA-N 0 3 380.492 3.255 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)Cc1cccc(C#N)c1 ZINC000128574923 1416016838 /nfs/dbraw/zinc/01/68/38/1416016838.db2.gz XPWFLLOWMZWLCN-ROUUACIJSA-N 0 3 397.544 3.134 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000128603932 1416023354 /nfs/dbraw/zinc/02/33/54/1416023354.db2.gz MBICTENRPUAQCA-ROUUACIJSA-N 0 3 397.544 3.188 20 30 GGEDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NS(=O)(=O)c1ccc(CC#N)cc1 ZINC000128604193 1416023400 /nfs/dbraw/zinc/02/34/00/1416023400.db2.gz MBICTENRPUAQCA-QZTJIDSGSA-N 0 3 397.544 3.188 20 30 GGEDHN Cc1ccccc1CN1CCCN(C(=O)COc2ccc(C#N)cc2F)CC1 ZINC000178342737 1429055768 /nfs/dbraw/zinc/05/57/68/1429055768.db2.gz YWIBPFCNIAWXIU-UHFFFAOYSA-N 0 3 381.451 3.119 20 30 GGEDHN CCN1CCN([C@H](C)CNc2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000178347470 1429057517 /nfs/dbraw/zinc/05/75/17/1429057517.db2.gz MXGDEQZBMFIYKD-CYBMUJFWSA-N 0 3 375.879 3.337 20 30 GGEDHN CN(CC(=O)C(C#N)c1nc(-c2ccncc2)cs1)C(=O)c1cccs1 ZINC000128873950 1416089897 /nfs/dbraw/zinc/08/98/97/1416089897.db2.gz PVRQNHDMUPCFCB-CYBMUJFWSA-N 0 3 382.470 3.215 20 30 GGEDHN CCOc1ccccc1NC(=O)C(C#N)C(=O)COc1ccc2c(c1)CCC2 ZINC000128928799 1416105967 /nfs/dbraw/zinc/10/59/67/1416105967.db2.gz RPFBPTDLQTZUNN-GOSISDBHSA-N 0 3 378.428 3.300 20 30 GGEDHN CN1CCN(CCOc2ccc(NC3CC(C#N)(c4ccccc4)C3)cc2)CC1 ZINC000129110125 1416147383 /nfs/dbraw/zinc/14/73/83/1416147383.db2.gz VVECVKKTNRWHGI-UHFFFAOYSA-N 0 3 390.531 3.349 20 30 GGEDHN Cc1ccsc1CCCC(=O)C(C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000129454899 1416212485 /nfs/dbraw/zinc/21/24/85/1416212485.db2.gz JZXZBFWBQWUMJD-OAHLLOKOSA-N 0 3 384.457 3.498 20 30 GGEDHN C=CCNc1ncc(C(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000129676377 1416247223 /nfs/dbraw/zinc/24/72/23/1416247223.db2.gz RABDUFUIIAWDSY-IYBDPMFKSA-N 0 3 392.569 3.093 20 30 GGEDHN N#CC(C(=O)CCOC[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129782713 1416263093 /nfs/dbraw/zinc/26/30/93/1416263093.db2.gz RFKTURJTNNFLEX-OLZOCXBDSA-N 0 3 385.247 3.226 20 30 GGEDHN N#CC(C(=O)CCOC[C@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000129782887 1416263109 /nfs/dbraw/zinc/26/31/09/1416263109.db2.gz RFKTURJTNNFLEX-CHWSQXEVSA-N 0 3 385.247 3.226 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(-c2cccs2)no1 ZINC000129885885 1416279879 /nfs/dbraw/zinc/27/98/79/1416279879.db2.gz OXIAWXHUAFOCAH-GFCCVEGCSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1ccc2[nH]cc(CC(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000129885990 1416280087 /nfs/dbraw/zinc/28/00/87/1416280087.db2.gz JMZMHUSDNPTSPE-UHFFFAOYSA-N 0 3 390.487 3.181 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2F)c1C ZINC000129907153 1416283122 /nfs/dbraw/zinc/28/31/22/1416283122.db2.gz PJVPIJWWTOUATQ-AWEZNQCLSA-N 0 3 392.390 3.290 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccc(F)cc2)c1C ZINC000129908192 1416283181 /nfs/dbraw/zinc/28/31/81/1416283181.db2.gz XXYOFJWNCAYDKW-MRXNPFEDSA-N 0 3 392.390 3.290 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccccc2F)c1C ZINC000129906945 1416283208 /nfs/dbraw/zinc/28/32/08/1416283208.db2.gz PJVPIJWWTOUATQ-CQSZACIVSA-N 0 3 392.390 3.290 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000129988069 1416297079 /nfs/dbraw/zinc/29/70/79/1416297079.db2.gz YIYBAPSSOFAHEA-MRXNPFEDSA-N 0 3 394.818 3.495 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCCc1nc(C(C)(C)C)no1 ZINC000129994613 1416299084 /nfs/dbraw/zinc/29/90/84/1416299084.db2.gz PNKHQYYVFAYUNA-CYBMUJFWSA-N 0 3 384.436 3.046 20 30 GGEDHN CC(C)(O)CN1CCN(Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000129998980 1416300372 /nfs/dbraw/zinc/30/03/72/1416300372.db2.gz KRSAURFYIWVKPS-UHFFFAOYSA-N 0 3 379.504 3.026 20 30 GGEDHN COc1ccc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000130124174 1416322475 /nfs/dbraw/zinc/32/24/75/1416322475.db2.gz JNFBQDPOZKHMLD-LLVKDONJSA-N 0 3 391.742 3.357 20 30 GGEDHN N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)c1cn(Cc2ccccc2)nn1 ZINC000130188646 1416335498 /nfs/dbraw/zinc/33/54/98/1416335498.db2.gz LQUZBJPGLAVWCY-AWEZNQCLSA-N 0 3 397.797 3.080 20 30 GGEDHN N#CC(C(=O)COc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000130233672 1416343965 /nfs/dbraw/zinc/34/39/65/1416343965.db2.gz YRHNOMUYZWWQFO-CYBMUJFWSA-N 0 3 391.742 3.114 20 30 GGEDHN Cc1nn(C)c(C)c1CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000130470000 1416383214 /nfs/dbraw/zinc/38/32/14/1416383214.db2.gz BCMOJTDECNVGIQ-HNNXBMFYSA-N 0 3 379.247 3.234 20 30 GGEDHN N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000130477403 1416385078 /nfs/dbraw/zinc/38/50/78/1416385078.db2.gz CXVFTANMAQXSFE-GFCCVEGCSA-N 0 3 393.186 3.445 20 30 GGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN[C@H]2CCCC[C@@H]2C(N)=O)c1C#N ZINC000130660921 1416420190 /nfs/dbraw/zinc/42/01/90/1416420190.db2.gz DSTYWAOCOOCFSE-HKUYNNGSSA-N 0 3 399.539 3.054 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000130944471 1416485535 /nfs/dbraw/zinc/48/55/35/1416485535.db2.gz ZZUULGZKNAYQRN-UHFFFAOYSA-N 0 3 390.531 3.156 20 30 GGEDHN CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccc(N(C)CCC#N)cc1 ZINC000131044428 1416500630 /nfs/dbraw/zinc/50/06/30/1416500630.db2.gz IQQCKWFLPMXCII-IBGZPJMESA-N 0 3 385.533 3.379 20 30 GGEDHN COCCN(C)CCNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000131192025 1416521799 /nfs/dbraw/zinc/52/17/99/1416521799.db2.gz BHKKUYAREDTTCM-UHFFFAOYSA-N 0 3 387.867 3.312 20 30 GGEDHN N#CC(C(=O)Nc1cccc2ccccc21)C(=O)c1ncn(-c2ccccc2)n1 ZINC000131214047 1416524330 /nfs/dbraw/zinc/52/43/30/1416524330.db2.gz MUDCFYLQHZTKCJ-SFHVURJKSA-N 0 3 381.395 3.382 20 30 GGEDHN C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](Cc2nccn2C)C1 ZINC000131329374 1416540830 /nfs/dbraw/zinc/54/08/30/1416540830.db2.gz NVYPYWRRKCKPBV-QZTJIDSGSA-N 0 3 386.565 3.339 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCc2nnc(-c3ccsc3)o2)cc1 ZINC000131780685 1416618783 /nfs/dbraw/zinc/61/87/83/1416618783.db2.gz XHFXPFIHFNVHEC-OAHLLOKOSA-N 0 3 396.428 3.087 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000131818110 1416627878 /nfs/dbraw/zinc/62/78/78/1416627878.db2.gz WZXUXEGTAAGXDR-GOSISDBHSA-N 0 3 393.487 3.069 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)CCCc2nc(C(C)(C)C)no2)cc1 ZINC000131817343 1416627966 /nfs/dbraw/zinc/62/79/66/1416627966.db2.gz QUTIPCOJEOWRAI-OAHLLOKOSA-N 0 3 384.436 3.046 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Cc1ccc(OCC#N)cc1 ZINC000131827895 1416630565 /nfs/dbraw/zinc/63/05/65/1416630565.db2.gz MPMSVRGZSJMDET-IBGZPJMESA-N 0 3 377.488 3.254 20 30 GGEDHN CCCCCCCC(=O)C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000131881799 1416640307 /nfs/dbraw/zinc/64/03/07/1416640307.db2.gz BSFTWVQUUZPCTB-GOSISDBHSA-N 0 3 396.491 3.492 20 30 GGEDHN CCCCCCC(=O)C(C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000131883410 1416641207 /nfs/dbraw/zinc/64/12/07/1416641207.db2.gz BOMNPQFTDAGFSU-QGZVFWFLSA-N 0 3 382.464 3.102 20 30 GGEDHN CC(C)CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000178593248 1429115588 /nfs/dbraw/zinc/11/55/88/1429115588.db2.gz QCHQXPLFAQXMST-GOSISDBHSA-N 0 3 398.551 3.476 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2cnc(-c3ccccc3)nc2C)c1 ZINC000132347996 1416742428 /nfs/dbraw/zinc/74/24/28/1416742428.db2.gz ZLTJLAZKFHUYOO-SFHVURJKSA-N 0 3 386.411 3.422 20 30 GGEDHN C=CCNC(=O)CNC1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000132463007 1416766063 /nfs/dbraw/zinc/76/60/63/1416766063.db2.gz FRHWUTINLLIIPN-UHFFFAOYSA-N 0 3 380.488 3.163 20 30 GGEDHN COC(=O)c1ccc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1F ZINC000132609007 1416793242 /nfs/dbraw/zinc/79/32/42/1416793242.db2.gz LEZKZRCRNQAVTM-UHFFFAOYSA-N 0 3 381.451 3.192 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000132642903 1416798361 /nfs/dbraw/zinc/79/83/61/1416798361.db2.gz ZLGWUIDOHTUVEF-AWEZNQCLSA-N 0 3 388.177 3.318 20 30 GGEDHN CN(C)[C@H](CNC(=O)CCCC(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000133297239 1416875793 /nfs/dbraw/zinc/87/57/93/1416875793.db2.gz NXWIUZUYFIGFAJ-HXUWFJFHSA-N 0 3 378.476 3.086 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)CCCOc2ccc(C)cc2C)cc1 ZINC000133455730 1416891556 /nfs/dbraw/zinc/89/15/56/1416891556.db2.gz GGBGVDPDFBDCKY-FQEVSTJZSA-N 0 3 394.471 3.496 20 30 GGEDHN C#CCOc1ccc([C@@H](C)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000133793151 1416964697 /nfs/dbraw/zinc/96/46/97/1416964697.db2.gz DHZPEWQJUSDRET-IAGOWNOFSA-N 0 3 386.517 3.361 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000178711691 1429149153 /nfs/dbraw/zinc/14/91/53/1429149153.db2.gz MLABEDQJGALRQR-WOJBJXKFSA-N 0 3 375.488 3.074 20 30 GGEDHN O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCN1C1CCOCC1 ZINC000134097300 1417022131 /nfs/dbraw/zinc/02/21/31/1417022131.db2.gz HIECBRBJAKNBRP-JOCHJYFZSA-N 0 3 375.472 3.063 20 30 GGEDHN CCS(=O)(=O)NCCCN(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000134132916 1417027242 /nfs/dbraw/zinc/02/72/42/1417027242.db2.gz ZGTJZFIGMYXPMA-UHFFFAOYSA-N 0 3 389.496 3.029 20 30 GGEDHN CN(C)C(=O)c1ccc(NC(=O)C(C#N)C(=O)CCCc2ccccc2)cc1 ZINC000134183766 1417034566 /nfs/dbraw/zinc/03/45/66/1417034566.db2.gz IBRRXBMMJJYHGY-LJQANCHMSA-N 0 3 377.444 3.059 20 30 GGEDHN COc1ccccc1NC(=O)C(C#N)C(=O)CCc1nc(C2CCCC2)no1 ZINC000134976429 1417155184 /nfs/dbraw/zinc/15/51/84/1417155184.db2.gz WZXOZGKXCCTDRU-AWEZNQCLSA-N 0 3 382.420 3.016 20 30 GGEDHN N#CC(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 ZINC000134997310 1417158451 /nfs/dbraw/zinc/15/84/51/1417158451.db2.gz VCRJCMHXZRTTJZ-OAHLLOKOSA-N 0 3 386.839 3.090 20 30 GGEDHN CN(C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1OCC#N ZINC000135265181 1417199050 /nfs/dbraw/zinc/19/90/50/1417199050.db2.gz DICZYLLLDYLVNO-UHFFFAOYSA-N 0 3 388.418 3.463 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000135353929 1417210654 /nfs/dbraw/zinc/21/06/54/1417210654.db2.gz MADNGBYUFFVSGD-QGZVFWFLSA-N 0 3 389.540 3.222 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)c2csc(-c3ccc(C)n3C)n2)c1 ZINC000136578741 1417328629 /nfs/dbraw/zinc/32/86/29/1417328629.db2.gz ORQCNHKSOQKHHX-OAHLLOKOSA-N 0 3 394.456 3.427 20 30 GGEDHN Cc1c(CCC(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cnn1C ZINC000136645684 1417334863 /nfs/dbraw/zinc/33/48/63/1417334863.db2.gz RNKZHQBUMASARN-CYBMUJFWSA-N 0 3 379.247 3.316 20 30 GGEDHN Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000137225832 1417376258 /nfs/dbraw/zinc/37/62/58/1417376258.db2.gz JZBWGLPPVDJILW-OAHLLOKOSA-N 0 3 391.818 3.462 20 30 GGEDHN Cc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)nc(-c2ccc(Cl)cc2)n1 ZINC000137225832 1417376263 /nfs/dbraw/zinc/37/62/63/1417376263.db2.gz JZBWGLPPVDJILW-OAHLLOKOSA-N 0 3 391.818 3.462 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)CCCOc2cccc(C(C)=O)c2)c1 ZINC000138659168 1417432546 /nfs/dbraw/zinc/43/25/46/1417432546.db2.gz YWGAGFDUBOMSEO-FQEVSTJZSA-N 0 3 394.427 3.404 20 30 GGEDHN N#Cc1ccccc1OCC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000138709184 1417435503 /nfs/dbraw/zinc/43/55/03/1417435503.db2.gz HVBNHRUERZWPHS-UHFFFAOYSA-N 0 3 381.501 3.167 20 30 GGEDHN CCOc1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)cc(OCC)c1OCC ZINC000138991016 1417444309 /nfs/dbraw/zinc/44/43/09/1417444309.db2.gz ZSRYTQINUVTKBI-OAHLLOKOSA-N 0 3 397.431 3.239 20 30 GGEDHN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C2CCCCC2)CC1 ZINC000141712715 1417552660 /nfs/dbraw/zinc/55/26/60/1417552660.db2.gz BJEIYEUCQHGZHB-HNNXBMFYSA-N 0 3 386.565 3.386 20 30 GGEDHN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C2CCCCC2)CC1 ZINC000141712906 1417552715 /nfs/dbraw/zinc/55/27/15/1417552715.db2.gz BJEIYEUCQHGZHB-OAHLLOKOSA-N 0 3 386.565 3.386 20 30 GGEDHN COc1ccc(CNC[C@@H](O)COc2cccc(C)c2)cc1OCCCC#N ZINC000147189142 1417740797 /nfs/dbraw/zinc/74/07/97/1417740797.db2.gz PEJRRENFIKKTIK-LJQANCHMSA-N 0 3 384.476 3.216 20 30 GGEDHN COc1ccc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)cc1OCCCC#N ZINC000147200975 1417741821 /nfs/dbraw/zinc/74/18/21/1417741821.db2.gz LMEYFWJLRBTQKX-GOSISDBHSA-N 0 3 379.460 3.273 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1nc2ccccc2[nH]1 ZINC000151090208 1417870325 /nfs/dbraw/zinc/87/03/25/1417870325.db2.gz QNVBJDVFABXMQZ-UHFFFAOYSA-N 0 3 393.516 3.117 20 30 GGEDHN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000151120556 1417876263 /nfs/dbraw/zinc/87/62/63/1417876263.db2.gz BVNKKHFGGUEVAC-YLJYHZDGSA-N 0 3 378.476 3.051 20 30 GGEDHN C[C@@H]1C[C@H](NC(=O)NCc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000151120438 1417876334 /nfs/dbraw/zinc/87/63/34/1417876334.db2.gz BVNKKHFGGUEVAC-XLIONFOSSA-N 0 3 378.476 3.051 20 30 GGEDHN C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC#N)c2)CN1Cc1ccccc1 ZINC000151120617 1417876344 /nfs/dbraw/zinc/87/63/44/1417876344.db2.gz BVNKKHFGGUEVAC-FXAWDEMLSA-N 0 3 378.476 3.051 20 30 GGEDHN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)COc2c(C)nn(C)c2C)cc1 ZINC000151207159 1417893869 /nfs/dbraw/zinc/89/38/69/1417893869.db2.gz ZLFXITHIDLDTAP-ACJLOTCBSA-N 0 3 382.464 3.277 20 30 GGEDHN CC(C)CN(C(=O)CCCC(=O)Nc1ccccc1C#N)C1CCN(C)CC1 ZINC000151217066 1417895612 /nfs/dbraw/zinc/89/56/12/1417895612.db2.gz CYBGRUMBEOABMU-UHFFFAOYSA-N 0 3 384.524 3.246 20 30 GGEDHN COc1ccc(CNc2cc(C(N)=O)ccc2CN(C)C)cc1OCCCC#N ZINC000151227430 1417897929 /nfs/dbraw/zinc/89/79/29/1417897929.db2.gz VOMIYUVEJSFHFH-UHFFFAOYSA-N 0 3 396.491 3.150 20 30 GGEDHN N#Cc1ccccc1COc1cccc(CNCCn2cc([N+](=O)[O-])cn2)c1 ZINC000151265322 1417908645 /nfs/dbraw/zinc/90/86/45/1417908645.db2.gz VNAWCAARCISDOK-UHFFFAOYSA-N 0 3 377.404 3.032 20 30 GGEDHN C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000151311091 1417923352 /nfs/dbraw/zinc/92/33/52/1417923352.db2.gz DOGQVUCDSHDSRO-HNNXBMFYSA-N 0 3 388.541 3.150 20 30 GGEDHN Cc1ccc(CN(CCN(C)C)C(=O)CCCC(=O)Nc2ccccc2C#N)o1 ZINC000151345282 1417931586 /nfs/dbraw/zinc/93/15/86/1417931586.db2.gz DBMIWNUOBKERMT-UHFFFAOYSA-N 0 3 396.491 3.159 20 30 GGEDHN CCN(CC)c1ccc(/C=[NH+]/CCN(C)S(=O)(=O)c2cccs2)c([O-])c1 ZINC000151348181 1417931968 /nfs/dbraw/zinc/93/19/68/1417931968.db2.gz SWQUMIFTHPOKGV-XMHGGMMESA-N 0 3 395.550 3.040 20 30 GGEDHN N#Cc1cccc(CNCc2ccc(OCCN3CCOCC3)c(Cl)c2)c1 ZINC000151376129 1417941025 /nfs/dbraw/zinc/94/10/25/1417941025.db2.gz WDMTWGNVRBCOKQ-UHFFFAOYSA-N 0 3 385.895 3.212 20 30 GGEDHN C[C@H](NCc1cccc(C#N)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000151393024 1417946905 /nfs/dbraw/zinc/94/69/05/1417946905.db2.gz LFRCBEZSBXUGCI-INIZCTEOSA-N 0 3 395.484 3.481 20 30 GGEDHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000151415956 1417958021 /nfs/dbraw/zinc/95/80/21/1417958021.db2.gz CMNCOSHTBSGTLI-UHFFFAOYSA-N 0 3 379.357 3.319 20 30 GGEDHN C=CCOc1ccccc1CN(C(=O)[C@@H](N)CC)c1ccc2c(c1)OCCO2 ZINC000151469826 1417987269 /nfs/dbraw/zinc/98/72/69/1417987269.db2.gz YBNAFJCAZZJJOY-SFHVURJKSA-N 0 3 382.460 3.293 20 30 GGEDHN COC(=O)C(C)(C)CN[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000151802003 1418090402 /nfs/dbraw/zinc/09/04/02/1418090402.db2.gz QECJHBLXIAURHX-LBPRGKRZSA-N 0 3 377.510 3.004 20 30 GGEDHN COC(=O)C(C)(C)CN[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000151802089 1418090452 /nfs/dbraw/zinc/09/04/52/1418090452.db2.gz QECJHBLXIAURHX-GFCCVEGCSA-N 0 3 377.510 3.004 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CC1 ZINC000151954080 1418102983 /nfs/dbraw/zinc/10/29/83/1418102983.db2.gz MPHGUJKKYHAJEN-UHFFFAOYSA-N 0 3 398.482 3.198 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)Cc3cccc(OCC#N)c3)c(C)c2)CC1 ZINC000179262326 1429307821 /nfs/dbraw/zinc/30/78/21/1429307821.db2.gz ZBJPFBGPLFPQIQ-UHFFFAOYSA-N 0 3 392.503 3.221 20 30 GGEDHN COc1ccc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)cc1OCCCC#N ZINC000179344205 1429337086 /nfs/dbraw/zinc/33/70/86/1429337086.db2.gz UEJFXIHHIQZCJH-LJQANCHMSA-N 0 3 385.508 3.116 20 30 GGEDHN CN(CCC#N)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000179377730 1429349926 /nfs/dbraw/zinc/34/99/26/1429349926.db2.gz IBFLBCDMHHVQSX-UHFFFAOYSA-N 0 3 392.544 3.004 20 30 GGEDHN COc1ccc(-c2csc(C(C#N)C(=O)Nc3cccnc3OC)n2)cc1 ZINC000179471278 1429386193 /nfs/dbraw/zinc/38/61/93/1429386193.db2.gz UCIGOZQBKFCDAI-AWEZNQCLSA-N 0 3 380.429 3.468 20 30 GGEDHN Cc1cc(F)ccc1-n1cc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)nn1 ZINC000179488029 1429390842 /nfs/dbraw/zinc/39/08/42/1429390842.db2.gz AOEMELKWSDHCEX-OAHLLOKOSA-N 0 3 397.797 3.329 20 30 GGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179497791 1429395708 /nfs/dbraw/zinc/39/57/08/1429395708.db2.gz MQKHRAMVZJEDFM-IBQBPIARSA-N 0 3 398.555 3.181 20 30 GGEDHN C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179497791 1429395717 /nfs/dbraw/zinc/39/57/17/1429395717.db2.gz MQKHRAMVZJEDFM-IBQBPIARSA-N 0 3 398.555 3.181 20 30 GGEDHN Cc1cc(C)cc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 ZINC000179671245 1429500165 /nfs/dbraw/zinc/50/01/65/1429500165.db2.gz IGMVGKWGLUHBNN-ICSRJNTNSA-N 0 3 396.560 3.425 20 30 GGEDHN CCc1ccc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)cc1 ZINC000179665268 1429497726 /nfs/dbraw/zinc/49/77/26/1429497726.db2.gz YUMONCZUMILGAU-XLIONFOSSA-N 0 3 396.560 3.370 20 30 GGEDHN Cc1ccccc1[C@@H](C)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000179665429 1429497966 /nfs/dbraw/zinc/49/79/66/1429497966.db2.gz ZXARXRLFCJZURI-MJGOQNOKSA-N 0 3 382.533 3.116 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000179702991 1429514675 /nfs/dbraw/zinc/51/46/75/1429514675.db2.gz JVBOTLDTTNXKRD-HXUWFJFHSA-N 0 3 385.895 3.226 20 30 GGEDHN C#CCN1CCC(C(=O)NCc2ccc(OCCC)cc2OC(F)F)CC1 ZINC000152412550 1422096144 /nfs/dbraw/zinc/09/61/44/1422096144.db2.gz XEVKMNQCPOLGMT-UHFFFAOYSA-N 0 3 380.435 3.038 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 ZINC000152495948 1422120713 /nfs/dbraw/zinc/12/07/13/1422120713.db2.gz VSWYSGVYSXBWQB-UHFFFAOYSA-N 0 3 380.492 3.059 20 30 GGEDHN CCOc1ccc(C#N)cc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000179740183 1429531992 /nfs/dbraw/zinc/53/19/92/1429531992.db2.gz GQULSFOWMZGTFK-UHFFFAOYSA-N 0 3 393.487 3.414 20 30 GGEDHN CC(C)OCCCNC(=O)C1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000153073726 1422347274 /nfs/dbraw/zinc/34/72/74/1422347274.db2.gz AMYPWVKQZSEMMB-SFHVURJKSA-N 0 3 387.524 3.121 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@@H](C)c2c(F)cccc2F)cc1OC ZINC000153325637 1422470357 /nfs/dbraw/zinc/47/03/57/1422470357.db2.gz HDPZGDUCVBZQJL-AAEUAGOBSA-N 0 3 388.370 3.433 20 30 GGEDHN CC(=O)OC1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000153455260 1422546565 /nfs/dbraw/zinc/54/65/65/1422546565.db2.gz SNNIBUSZLXOQTK-ZDUSSCGKSA-N 0 3 389.521 3.101 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3cc(CSCCO)ccn3)CC2)cc1 ZINC000179799725 1429573384 /nfs/dbraw/zinc/57/33/84/1429573384.db2.gz BBNNGCNTVQVRLF-UHFFFAOYSA-N 0 3 382.533 3.255 20 30 GGEDHN C=CCn1c(Cc2ccccc2)nn(CN2CCN(C)C[C@H]2C(C)C)c1=S ZINC000153627091 1422656971 /nfs/dbraw/zinc/65/69/71/1422656971.db2.gz KKNCQBALAKGNEQ-IBGZPJMESA-N 0 3 385.581 3.420 20 30 GGEDHN C#CCN1CCC(C(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)CC1 ZINC000153667476 1422692335 /nfs/dbraw/zinc/69/23/35/1422692335.db2.gz NBIMVQUNRPRTEB-UHFFFAOYSA-N 0 3 384.307 3.007 20 30 GGEDHN C=C[C@@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000153698683 1422709351 /nfs/dbraw/zinc/70/93/51/1422709351.db2.gz LICDWHWDWWAJNH-QFIPXVFZSA-N 0 3 377.532 3.410 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000154186795 1422852153 /nfs/dbraw/zinc/85/21/53/1422852153.db2.gz YJZIICOVJHLUNL-UHFFFAOYSA-N 0 3 389.500 3.045 20 30 GGEDHN N#Cc1ccc(CN2CCC(Nc3ccc(N4CCNC4=O)cc3)CC2)cc1 ZINC000154736893 1423016687 /nfs/dbraw/zinc/01/66/87/1423016687.db2.gz LEZZMBGLJWFWBW-UHFFFAOYSA-N 0 3 375.476 3.164 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccc(Cl)cc2C)cc1 ZINC000155037052 1423129165 /nfs/dbraw/zinc/12/91/65/1423129165.db2.gz ICRVTFZHXBTSCQ-KRWDZBQOSA-N 0 3 386.835 3.061 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccc(Cl)cc2C)cc1 ZINC000155036940 1423129704 /nfs/dbraw/zinc/12/97/04/1423129704.db2.gz ICRVTFZHXBTSCQ-QGZVFWFLSA-N 0 3 386.835 3.061 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)COc2ccc(C(C)C)cc2)cc1 ZINC000155062198 1423141043 /nfs/dbraw/zinc/14/10/43/1423141043.db2.gz WHUOOBOCCDHDHH-HXUWFJFHSA-N 0 3 380.444 3.223 20 30 GGEDHN N#Cc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cc1Cl ZINC000155084098 1423152993 /nfs/dbraw/zinc/15/29/93/1423152993.db2.gz XLCSLFDAQJZQJG-UHFFFAOYSA-N 0 3 396.878 3.161 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cc(F)cc(F)c1 ZINC000155155094 1423200934 /nfs/dbraw/zinc/20/09/34/1423200934.db2.gz JVOFZXHZJNHGOC-UHFFFAOYSA-N 0 3 386.446 3.152 20 30 GGEDHN C[C@H](c1ccncc1)N1CCC(NC(=O)/C=C/c2ccc(OCC#N)cc2)CC1 ZINC000155208689 1423246294 /nfs/dbraw/zinc/24/62/94/1423246294.db2.gz UJPTUWREXUNYPP-WEBJUUICSA-N 0 3 390.487 3.339 20 30 GGEDHN C[C@@H](c1ccncc1)N1CCC(NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000155597411 1423436834 /nfs/dbraw/zinc/43/68/34/1423436834.db2.gz BPBUZRIJGAAACF-INIZCTEOSA-N 0 3 380.517 3.387 20 30 GGEDHN C[C@@H](N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc2c(c1)CCC(=O)N2 ZINC000179973755 1429670187 /nfs/dbraw/zinc/67/01/87/1429670187.db2.gz FZDFCLSVONXQNO-VFNWGFHPSA-N 0 3 388.471 3.289 20 30 GGEDHN N#Cc1cccc(OCCCN2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000156546371 1423826509 /nfs/dbraw/zinc/82/65/09/1423826509.db2.gz OVHUPUYZPUWQRN-UHFFFAOYSA-N 0 3 377.444 3.342 20 30 GGEDHN N#CC(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nnc2n1CCCCC2 ZINC000156653857 1423841751 /nfs/dbraw/zinc/84/17/51/1423841751.db2.gz SIBYWMIPTVYZMR-CYBMUJFWSA-N 0 3 393.325 3.422 20 30 GGEDHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000156657078 1423842541 /nfs/dbraw/zinc/84/25/41/1423842541.db2.gz JOYFFPLRVBFUEP-LBPRGKRZSA-N 0 3 378.613 3.459 20 30 GGEDHN COCCN1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000157154840 1423938965 /nfs/dbraw/zinc/93/89/65/1423938965.db2.gz WSZAFGHDWRYLFC-UHFFFAOYSA-N 0 3 393.487 3.500 20 30 GGEDHN C=CCC[C@@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000180038652 1429707586 /nfs/dbraw/zinc/70/75/86/1429707586.db2.gz VMKAZEDFABXNQG-LJQANCHMSA-N 0 3 377.444 3.148 20 30 GGEDHN C=CCC[C@H](NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 ZINC000180038635 1429707719 /nfs/dbraw/zinc/70/77/19/1429707719.db2.gz VMKAZEDFABXNQG-IBGZPJMESA-N 0 3 377.444 3.148 20 30 GGEDHN CC(C)CCn1cc(C(=O)C(C#N)C(=O)Nc2cccc3ccccc32)nn1 ZINC000158726396 1424328590 /nfs/dbraw/zinc/32/85/90/1424328590.db2.gz LNUWSVWJCWFYGI-KRWDZBQOSA-N 0 3 375.432 3.439 20 30 GGEDHN CC(C)CCn1cc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000158744569 1424332594 /nfs/dbraw/zinc/33/25/94/1424332594.db2.gz MHTGKZXPBSYOSG-LBPRGKRZSA-N 0 3 377.807 3.078 20 30 GGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000180080157 1429728231 /nfs/dbraw/zinc/72/82/31/1429728231.db2.gz YUUFGBZKWWPQIB-KRWDZBQOSA-N 0 3 391.475 3.445 20 30 GGEDHN COc1cccc(NC(=O)C(C#N)C(=O)Cc2nc(-c3ccco3)oc2C)c1 ZINC000159757020 1424531686 /nfs/dbraw/zinc/53/16/86/1424531686.db2.gz IBXYQRXNBLSQBZ-OAHLLOKOSA-N 0 3 379.372 3.142 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)[C@H](C)c2c(C)noc2C)cc1Cl ZINC000159788681 1424536512 /nfs/dbraw/zinc/53/65/12/1424536512.db2.gz CEUUWLBKUHTSBD-NOZJJQNGSA-N 0 3 375.812 3.405 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)cc1 ZINC000159944244 1424554855 /nfs/dbraw/zinc/55/48/55/1424554855.db2.gz OZQDQUCRLXSXLD-UTKZUKDTSA-N 0 3 392.503 3.387 20 30 GGEDHN C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000159999775 1424561934 /nfs/dbraw/zinc/56/19/34/1424561934.db2.gz SNGHMFRSONTZBG-PXNSSMCTSA-N 0 3 383.517 3.232 20 30 GGEDHN CCN1CCN([C@H](C)CNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000160076807 1424570523 /nfs/dbraw/zinc/57/05/23/1424570523.db2.gz APHXUTIWZSQAFH-GOSISDBHSA-N 0 3 391.519 3.058 20 30 GGEDHN CC(C)CCn1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)n1 ZINC000160224425 1424589060 /nfs/dbraw/zinc/58/90/60/1424589060.db2.gz JAMLISMIHRMNBF-UHFFFAOYSA-N 0 3 382.512 3.397 20 30 GGEDHN COC(=O)c1csc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000160839936 1424637922 /nfs/dbraw/zinc/63/79/22/1424637922.db2.gz MBSPCTCRVNWCOP-UHFFFAOYSA-N 0 3 386.477 3.002 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000160913433 1424644419 /nfs/dbraw/zinc/64/44/19/1424644419.db2.gz ALVJCZXMHGRRSV-QZTJIDSGSA-N 0 3 399.535 3.063 20 30 GGEDHN C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000161341199 1424680095 /nfs/dbraw/zinc/68/00/95/1424680095.db2.gz SQBMHMYUSPEDIE-SFHVURJKSA-N 0 3 393.462 3.039 20 30 GGEDHN N#CC(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)c1nc2cc(Cl)ccc2s1 ZINC000161407614 1424685347 /nfs/dbraw/zinc/68/53/47/1424685347.db2.gz GYHRFXOGLKAIKV-LBPRGKRZSA-N 0 3 396.815 3.079 20 30 GGEDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000161675775 1424738152 /nfs/dbraw/zinc/73/81/52/1424738152.db2.gz AZGLXGSXPZRNPF-UHFFFAOYSA-N 0 3 381.436 3.371 20 30 GGEDHN Cn1cc(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180132382 1429751575 /nfs/dbraw/zinc/75/15/75/1429751575.db2.gz QLXYNFFMONOLJA-GOSISDBHSA-N 0 3 393.535 3.333 20 30 GGEDHN CC(C)Cc1nnc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)s1 ZINC000161863921 1424782612 /nfs/dbraw/zinc/78/26/12/1424782612.db2.gz FMASDNFJMYMUBF-UHFFFAOYSA-N 0 3 386.525 3.204 20 30 GGEDHN C[C@@H](Cc1ccc(Br)cc1)C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000161970765 1424804769 /nfs/dbraw/zinc/80/47/69/1424804769.db2.gz ZXEZKQFJJNWYPT-LRDDRELGSA-N 0 3 377.282 3.395 20 30 GGEDHN CC(=O)Nc1cccc(NC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000162452358 1424854042 /nfs/dbraw/zinc/85/40/42/1424854042.db2.gz BNCYLABESAKYAY-UHFFFAOYSA-N 0 3 379.464 3.112 20 30 GGEDHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000162931921 1424907991 /nfs/dbraw/zinc/90/79/91/1424907991.db2.gz VAWWKMWRUSKKSQ-SFHVURJKSA-N 0 3 386.515 3.411 20 30 GGEDHN COc1cc(/C=C/C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)ccc1OCC#N ZINC000180157096 1429767266 /nfs/dbraw/zinc/76/72/66/1429767266.db2.gz JVETWQXDSKDLOK-CDLAPJCCSA-N 0 3 391.471 3.172 20 30 GGEDHN C#CCOc1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)cc1 ZINC000163854754 1425051118 /nfs/dbraw/zinc/05/11/18/1425051118.db2.gz HXHLJDFUQKTYEV-UHFFFAOYSA-N 0 3 378.472 3.155 20 30 GGEDHN CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])c(C#N)c3)cc2)CC1 ZINC000165719357 1425194047 /nfs/dbraw/zinc/19/40/47/1425194047.db2.gz VPCITPXEAZVMJM-UHFFFAOYSA-N 0 3 379.464 3.216 20 30 GGEDHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000170652750 1425278490 /nfs/dbraw/zinc/27/84/90/1425278490.db2.gz KFQPBZKNVMZJBU-QGZVFWFLSA-N 0 3 386.496 3.218 20 30 GGEDHN COc1ccc(CNC(=O)C(C#N)C(=O)Cc2csc(C(C)(C)C)n2)cc1 ZINC000170673216 1425290289 /nfs/dbraw/zinc/29/02/89/1425290289.db2.gz OFYQHCAPFMRHDU-INIZCTEOSA-N 0 3 385.489 3.017 20 30 GGEDHN Cc1cc(C(=O)NC2CCN(CCCOc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000170775668 1425337114 /nfs/dbraw/zinc/33/71/14/1425337114.db2.gz MJRVPKCLYOHQKR-UHFFFAOYSA-N 0 3 381.476 3.431 20 30 GGEDHN N#CCOc1ccc(CNC(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1 ZINC000170804341 1425348918 /nfs/dbraw/zinc/34/89/18/1425348918.db2.gz XUQUVACTWDVRKM-OAQYLSRUSA-N 0 3 378.476 3.225 20 30 GGEDHN C=CCN1CCC(NC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)CC1 ZINC000170982716 1425424675 /nfs/dbraw/zinc/42/46/75/1425424675.db2.gz XAFSDIUMDRLJPP-UHFFFAOYSA-N 0 3 378.520 3.440 20 30 GGEDHN C[C@@H](CC(=O)C(C#N)C(=O)Nc1ccc(F)c(Cl)c1)NC(=O)C1CCCC1 ZINC000171105707 1425485985 /nfs/dbraw/zinc/48/59/85/1425485985.db2.gz GBVKLQRJZYPNDK-FZMZJTMJSA-N 0 3 393.846 3.211 20 30 GGEDHN Cc1oc(NC(=O)[C@@H](C)N2CCCN(Cc3ccccc3)CC2)c(C#N)c1C ZINC000171225699 1425549533 /nfs/dbraw/zinc/54/95/33/1425549533.db2.gz PGQGNWAOKQZENB-QGZVFWFLSA-N 0 3 380.492 3.303 20 30 GGEDHN C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2scnc2c1)C(C)C ZINC000171270128 1425586216 /nfs/dbraw/zinc/58/62/16/1425586216.db2.gz DOTIPGBINJAJQW-QGZVFWFLSA-N 0 3 386.521 3.050 20 30 GGEDHN N#CC(C(=O)CSC[C@@H]1CCCCO1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000171366172 1425643662 /nfs/dbraw/zinc/64/36/62/1425643662.db2.gz OXTTXHVBWGJATL-QWHCGFSZSA-N 0 3 384.860 3.429 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000171548268 1425729912 /nfs/dbraw/zinc/72/99/12/1425729912.db2.gz AYIWREMCTZXNTP-UHFFFAOYSA-N 0 3 396.491 3.372 20 30 GGEDHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000171585106 1425745377 /nfs/dbraw/zinc/74/53/77/1425745377.db2.gz PCIBXSAWOLYHRC-DLBZAZTESA-N 0 3 381.561 3.425 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000171590841 1425751681 /nfs/dbraw/zinc/75/16/81/1425751681.db2.gz QJVSHHSZNTXXSE-UHFFFAOYSA-N 0 3 399.322 3.272 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)CC1 ZINC000171696964 1425792347 /nfs/dbraw/zinc/79/23/47/1425792347.db2.gz HQBNKOGZUYXGGQ-MRXNPFEDSA-N 0 3 375.513 3.495 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC000171715641 1425800941 /nfs/dbraw/zinc/80/09/41/1425800941.db2.gz HBFHUZBTWJGQQP-OAHLLOKOSA-N 0 3 396.318 3.113 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)CC1 ZINC000171716153 1425801029 /nfs/dbraw/zinc/80/10/29/1425801029.db2.gz XGCUHZXLAMCETD-UHFFFAOYSA-N 0 3 377.488 3.343 20 30 GGEDHN C=CCN1CCC(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)CC1 ZINC000171718351 1425802095 /nfs/dbraw/zinc/80/20/95/1425802095.db2.gz HTBWMOAKIUSWQS-UHFFFAOYSA-N 0 3 383.517 3.058 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1 ZINC000171719798 1425802890 /nfs/dbraw/zinc/80/28/90/1425802890.db2.gz XXILYXJCYDXKOE-UHFFFAOYSA-N 0 3 393.466 3.182 20 30 GGEDHN C=CCN1CCC(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC000171721052 1425803254 /nfs/dbraw/zinc/80/32/54/1425803254.db2.gz YSAXUIUZDZKTIQ-UHFFFAOYSA-N 0 3 375.419 3.319 20 30 GGEDHN C=CCN1CCC(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 ZINC000171721605 1425803320 /nfs/dbraw/zinc/80/33/20/1425803320.db2.gz XEPQKCRVSMEVGC-QFIPXVFZSA-N 0 3 391.515 3.314 20 30 GGEDHN C=CCN1CCC(NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)CC1 ZINC000171721457 1425803328 /nfs/dbraw/zinc/80/33/28/1425803328.db2.gz WIHLMBSLYZJHQQ-DHZHZOJOSA-N 0 3 377.488 3.440 20 30 GGEDHN C=CCN1CCC(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)CC1 ZINC000171721220 1425803476 /nfs/dbraw/zinc/80/34/76/1425803476.db2.gz COORLDLQEGDXRM-UHFFFAOYSA-N 0 3 390.890 3.413 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1 ZINC000171723224 1425803968 /nfs/dbraw/zinc/80/39/68/1425803968.db2.gz VRNYNTGVMQOOOS-UHFFFAOYSA-N 0 3 386.496 3.211 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H](C)CC)CC1 ZINC000171727681 1425804429 /nfs/dbraw/zinc/80/44/29/1425804429.db2.gz GOBQJZAXWBMYPQ-HNAYVOBHSA-N 0 3 391.943 3.251 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2nnc(Cc3ccccc3F)s2)CC1 ZINC000171739841 1425807960 /nfs/dbraw/zinc/80/79/60/1425807960.db2.gz BZSHOBXOAHYSJG-UHFFFAOYSA-N 0 3 375.473 3.040 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)CC1 ZINC000171739663 1425808111 /nfs/dbraw/zinc/80/81/11/1425808111.db2.gz DBORMAQPTJGGGB-UHFFFAOYSA-N 0 3 398.429 3.059 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000171739295 1425808214 /nfs/dbraw/zinc/80/82/14/1425808214.db2.gz CVSNXXHFEMMAGU-INIZCTEOSA-N 0 3 392.494 3.003 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1 ZINC000171780907 1425818569 /nfs/dbraw/zinc/81/85/69/1425818569.db2.gz QFCUTIXHAFDSOF-HXUWFJFHSA-N 0 3 391.943 3.445 20 30 GGEDHN C=CCN1CCC(NC(=O)N2C[C@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000171907772 1425848854 /nfs/dbraw/zinc/84/88/54/1425848854.db2.gz UZUMNUPXJJNJGI-HNAYVOBHSA-N 0 3 377.916 3.462 20 30 GGEDHN C=CCN1CCC(NC(=O)N2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)CC1 ZINC000171907770 1425848988 /nfs/dbraw/zinc/84/89/88/1425848988.db2.gz UZUMNUPXJJNJGI-KXBFYZLASA-N 0 3 377.916 3.462 20 30 GGEDHN C#CCOc1ccc(CNCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000172112375 1425899399 /nfs/dbraw/zinc/89/93/99/1425899399.db2.gz ZTLOAOODPHSDOP-UHFFFAOYSA-N 0 3 386.517 3.019 20 30 GGEDHN N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(CC2CCOCC2)CC1 ZINC000172411127 1426030613 /nfs/dbraw/zinc/03/06/13/1426030613.db2.gz YAEOVZWPPVWIAK-UHFFFAOYSA-N 0 3 388.874 3.448 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000172648651 1426126716 /nfs/dbraw/zinc/12/67/16/1426126716.db2.gz RTOYILLSLYDGJC-GOSISDBHSA-N 0 3 379.460 3.296 20 30 GGEDHN Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000172675168 1426138179 /nfs/dbraw/zinc/13/81/79/1426138179.db2.gz QZMFDUXYZHQPTC-UHFFFAOYSA-N 0 3 398.532 3.198 20 30 GGEDHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(OCC#N)cc1 ZINC000172700074 1426150269 /nfs/dbraw/zinc/15/02/69/1426150269.db2.gz NLEAGFMYVKGCKB-IBGZPJMESA-N 0 3 392.503 3.395 20 30 GGEDHN CN(C(=O)c1ccc(NC(=O)c2cccc(CC#N)c2)cc1)[C@H]1CCCN(C)C1 ZINC000172718853 1426158593 /nfs/dbraw/zinc/15/85/93/1426158593.db2.gz CSZBKTRUAAHIQJ-NRFANRHFSA-N 0 3 390.487 3.171 20 30 GGEDHN Cc1cccc(N2CCN(CCC(=O)N(CCC#N)Cc3ccco3)CC2)c1 ZINC000172726777 1426162125 /nfs/dbraw/zinc/16/21/25/1426162125.db2.gz CNOVXQONRIOJSX-UHFFFAOYSA-N 0 3 380.492 3.043 20 30 GGEDHN Cc1cc2c(cc1C)O[C@H](C(=O)N(CCN(C)C)Cc1cccc(C#N)c1)C2 ZINC000172899489 1426245767 /nfs/dbraw/zinc/24/57/67/1426245767.db2.gz AWNYBHCLVUTKHG-QFIPXVFZSA-N 0 3 377.488 3.069 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000172899529 1426246073 /nfs/dbraw/zinc/24/60/73/1426246073.db2.gz YWCJLGPXFSWKSN-OAQYLSRUSA-N 0 3 379.529 3.479 20 30 GGEDHN C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H](N3CC=CC3)C2)c1=S ZINC000172933571 1426272188 /nfs/dbraw/zinc/27/21/88/1426272188.db2.gz LHIMHVAOYVUOAB-INIZCTEOSA-N 0 3 385.512 3.310 20 30 GGEDHN C=CCN1CCC(NC(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)CC1 ZINC000173101932 1426342854 /nfs/dbraw/zinc/34/28/54/1426342854.db2.gz QPRSWXQHPOEYPM-UHFFFAOYSA-N 0 3 376.407 3.058 20 30 GGEDHN C=CCN1CCC(NC(=O)N(CCc2ccc(C)cc2)C[C@@H]2CCCO2)CC1 ZINC000173197770 1426387678 /nfs/dbraw/zinc/38/76/78/1426387678.db2.gz WOGWPQVAPWYUOJ-QFIPXVFZSA-N 0 3 385.552 3.379 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000173198591 1426387706 /nfs/dbraw/zinc/38/77/06/1426387706.db2.gz IKLQBYJCOJRLDX-AEFFLSMTSA-N 0 3 394.560 3.020 20 30 GGEDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000173223554 1426407069 /nfs/dbraw/zinc/40/70/69/1426407069.db2.gz YNICYPLBHAOVDZ-QFIPXVFZSA-N 0 3 397.544 3.232 20 30 GGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1C ZINC000173222935 1426407368 /nfs/dbraw/zinc/40/73/68/1426407368.db2.gz MVRFPGDLYVWWCB-OAQYLSRUSA-N 0 3 397.544 3.399 20 30 GGEDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1C ZINC000173224192 1426408288 /nfs/dbraw/zinc/40/82/88/1426408288.db2.gz YUOPOOLBYKVQBU-OAQYLSRUSA-N 0 3 397.544 3.399 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc3nc(C(C)C)sc3c2)CC1 ZINC000173273081 1426450883 /nfs/dbraw/zinc/45/08/83/1426450883.db2.gz BHNAQOHRJAWGEO-UHFFFAOYSA-N 0 3 386.521 3.125 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000173274376 1426452122 /nfs/dbraw/zinc/45/21/22/1426452122.db2.gz BAJLUZPFPTXJOM-UHFFFAOYSA-N 0 3 389.805 3.064 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000173274502 1426452888 /nfs/dbraw/zinc/45/28/88/1426452888.db2.gz VYNWLHZDBKJQHX-UHFFFAOYSA-N 0 3 389.805 3.064 20 30 GGEDHN CCc1ccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1[N+](=O)[O-] ZINC000173309792 1426493192 /nfs/dbraw/zinc/49/31/92/1426493192.db2.gz QNUDNXIMUKYWBV-UHFFFAOYSA-N 0 3 380.448 3.233 20 30 GGEDHN CC1CCN([C@H](CNC(=O)Nc2ccn(CCC#N)n2)c2cccs2)CC1 ZINC000173360628 1426535032 /nfs/dbraw/zinc/53/50/32/1426535032.db2.gz SCTSMKCWECYGOO-MRXNPFEDSA-N 0 3 386.525 3.453 20 30 GGEDHN COc1cc(C#N)ccc1OCC(=O)N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000173516826 1426688685 /nfs/dbraw/zinc/68/86/85/1426688685.db2.gz KYJKNYLAAWGDOI-GOSISDBHSA-N 0 3 393.487 3.069 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1SCCc2ccccc21 ZINC000173580645 1426745531 /nfs/dbraw/zinc/74/55/31/1426745531.db2.gz JRVORCYDLGTEEM-OAQYLSRUSA-N 0 3 379.529 3.479 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1SCCc2ccccc21 ZINC000173580632 1426745545 /nfs/dbraw/zinc/74/55/45/1426745545.db2.gz JRVORCYDLGTEEM-NRFANRHFSA-N 0 3 379.529 3.479 20 30 GGEDHN C#CCOc1ccc(F)cc1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000173781376 1426849926 /nfs/dbraw/zinc/84/99/26/1426849926.db2.gz VIPQFCROLBRDNW-UHFFFAOYSA-N 0 3 394.450 3.305 20 30 GGEDHN N#Cc1ccccc1NC(=O)CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000173798288 1426853974 /nfs/dbraw/zinc/85/39/74/1426853974.db2.gz PQHIYTQBCZXJGW-UHFFFAOYSA-N 0 3 394.431 3.338 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173943670 1426902358 /nfs/dbraw/zinc/90/23/58/1426902358.db2.gz SQLFRANUBBVAJR-IUODEOHRSA-N 0 3 381.270 3.232 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000173943656 1426902469 /nfs/dbraw/zinc/90/24/69/1426902469.db2.gz SQLFRANUBBVAJR-DOMZBBRYSA-N 0 3 381.270 3.232 20 30 GGEDHN CCN(CC(=O)Nc1cccc(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000173972120 1426917627 /nfs/dbraw/zinc/91/76/27/1426917627.db2.gz ZGJJSABRCARCGL-UHFFFAOYSA-N 0 3 377.492 3.130 20 30 GGEDHN N#Cc1ccc(OCCCN2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000174054733 1426975338 /nfs/dbraw/zinc/97/53/38/1426975338.db2.gz VPXXBPGXCJFLGD-UHFFFAOYSA-N 0 3 377.444 3.342 20 30 GGEDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000174098962 1427001700 /nfs/dbraw/zinc/00/17/00/1427001700.db2.gz VWFSEHQTRSIHLI-HNNXBMFYSA-N 0 3 384.402 3.152 20 30 GGEDHN COc1ccc(CNC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N ZINC000174304865 1427093329 /nfs/dbraw/zinc/09/33/29/1427093329.db2.gz KFQDIWVWPBHUMV-INIZCTEOSA-N 0 3 380.366 3.115 20 30 GGEDHN COc1ccc(CNC[C@@H](O)COc2cccc(Cl)c2Cl)cc1C#N ZINC000174306777 1427094201 /nfs/dbraw/zinc/09/42/01/1427094201.db2.gz DDPOXJKFIXTNBY-CQSZACIVSA-N 0 3 381.259 3.403 20 30 GGEDHN COc1ccc(CN[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)cc1C#N ZINC000174352528 1427116094 /nfs/dbraw/zinc/11/60/94/1427116094.db2.gz QNNNOPKMCVFKAV-INIZCTEOSA-N 0 3 382.483 3.309 20 30 GGEDHN CC(C)N1CCN(c2ccc(C(=O)N(CCC#N)CC(F)(F)F)cc2)CC1 ZINC000174432399 1427153368 /nfs/dbraw/zinc/15/33/68/1427153368.db2.gz DRCJITSAFJAACQ-UHFFFAOYSA-N 0 3 382.430 3.135 20 30 GGEDHN COc1cc(/C=C/C(=O)N2CCN(C)CC23CCCCC3)ccc1OCC#N ZINC000174571278 1427232426 /nfs/dbraw/zinc/23/24/26/1427232426.db2.gz ZPFOEJPAZVUZOX-VQHVLOKHSA-N 0 3 383.492 3.088 20 30 GGEDHN N#CCC1(COC(=O)C2CCN(c3ccccc3Br)C2=O)CC1 ZINC000174732071 1427336671 /nfs/dbraw/zinc/33/66/71/1427336671.db2.gz OALUWRHBBYYGOI-LBPRGKRZSA-N 0 3 377.238 3.039 20 30 GGEDHN C[C@@H](CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)CN1CCN(C)CC1 ZINC000174787053 1427367485 /nfs/dbraw/zinc/36/74/85/1427367485.db2.gz VZMHLWIRLODFOZ-FQEVSTJZSA-N 0 3 390.531 3.091 20 30 GGEDHN CS(=O)(=O)CC1(CNCc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000174939721 1427455667 /nfs/dbraw/zinc/45/56/67/1427455667.db2.gz KVNGYFXCVCXEIG-UHFFFAOYSA-N 0 3 384.501 3.052 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)CC1 ZINC000175474310 1427775110 /nfs/dbraw/zinc/77/51/10/1427775110.db2.gz SHBMNEPXAZDDEL-OAQYLSRUSA-N 0 3 398.551 3.021 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 ZINC000175765531 1427884234 /nfs/dbraw/zinc/88/42/34/1427884234.db2.gz HSTMPUHCOXEXDN-GOSISDBHSA-N 0 3 396.576 3.266 20 30 GGEDHN C=CCN(Cc1ccc(Cl)s1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000175812604 1427904827 /nfs/dbraw/zinc/90/48/27/1427904827.db2.gz UZCGQTRJTZFSGQ-MRXNPFEDSA-N 0 3 399.004 3.373 20 30 GGEDHN C[C@@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000175844973 1427926966 /nfs/dbraw/zinc/92/69/66/1427926966.db2.gz XNHGMRBZGNFDAT-UTKZUKDTSA-N 0 3 383.517 3.031 20 30 GGEDHN C[C@H]1C[C@@H](NS(=O)(=O)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000175844987 1427927115 /nfs/dbraw/zinc/92/71/15/1427927115.db2.gz XNHGMRBZGNFDAT-UWJYYQICSA-N 0 3 383.517 3.031 20 30 GGEDHN N#CC(C(=O)CCOC1CCOCC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000175944733 1427988335 /nfs/dbraw/zinc/98/83/35/1427988335.db2.gz NVZHOWSMDIRXNL-ZDUSSCGKSA-N 0 3 385.247 3.226 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 ZINC000180479526 1429879323 /nfs/dbraw/zinc/87/93/23/1429879323.db2.gz WCMVWWQAYCUREU-UHFFFAOYSA-N 0 3 376.350 3.270 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000180538722 1429893113 /nfs/dbraw/zinc/89/31/13/1429893113.db2.gz IOWZYTHBUAKQDW-MSOLQXFVSA-N 0 3 381.879 3.259 20 30 GGEDHN COc1ccc(CN2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1OCCCC#N ZINC000180654956 1429959392 /nfs/dbraw/zinc/95/93/92/1429959392.db2.gz ZHIGBSSURSGBOQ-NQIIRXRSSA-N 0 3 398.507 3.057 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000180716597 1429997717 /nfs/dbraw/zinc/99/77/17/1429997717.db2.gz GRPOKMFFDWFEAZ-MOPGFXCFSA-N 0 3 379.451 3.135 20 30 GGEDHN O=C(NCCN[C@@H]1CCCOc2c(Cl)c(Cl)ccc21)C1N=CC=CC1=O ZINC000180880432 1430085408 /nfs/dbraw/zinc/08/54/08/1430085408.db2.gz RRDGUNLNISLABH-LTRYHMRKSA-N 0 3 396.274 3.323 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN3Cc3ccccc32)cc1Cl ZINC000180948190 1430130013 /nfs/dbraw/zinc/13/00/13/1430130013.db2.gz CAIDQIKDLZUGRC-INIZCTEOSA-N 0 3 387.892 3.385 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000181034519 1430178657 /nfs/dbraw/zinc/17/86/57/1430178657.db2.gz PSEUKPILNFAVQY-MRXNPFEDSA-N 0 3 394.922 3.398 20 30 GGEDHN Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000181034759 1430178710 /nfs/dbraw/zinc/17/87/10/1430178710.db2.gz DNRCYTNTKXMFIT-UHFFFAOYSA-N 0 3 398.532 3.198 20 30 GGEDHN Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000181035145 1430179740 /nfs/dbraw/zinc/17/97/40/1430179740.db2.gz OIPAHPMEUUVOPR-UHFFFAOYSA-N 0 3 398.532 3.198 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000181160332 1430232196 /nfs/dbraw/zinc/23/21/96/1430232196.db2.gz YCMTVKXXCCZOBZ-LBPRGKRZSA-N 0 3 387.450 3.073 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 ZINC000181160317 1430232398 /nfs/dbraw/zinc/23/23/98/1430232398.db2.gz YCMTVKXXCCZOBZ-GFCCVEGCSA-N 0 3 387.450 3.073 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](C[C@@H]2CCOC2)c2ccccc2)cc1 ZINC000181191186 1430243262 /nfs/dbraw/zinc/24/32/62/1430243262.db2.gz IZPIKQYVYWXEQH-RXVVDRJESA-N 0 3 384.501 3.089 20 30 GGEDHN N#Cc1ccc(S(=O)(=O)CCN[C@@H](C[C@H]2CCOC2)c2ccccc2)cc1 ZINC000181191219 1430243804 /nfs/dbraw/zinc/24/38/04/1430243804.db2.gz IZPIKQYVYWXEQH-NQIIRXRSSA-N 0 3 384.501 3.089 20 30 GGEDHN N#CCOc1ccc(CC(=O)O[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)cc1 ZINC000181292855 1430265284 /nfs/dbraw/zinc/26/52/84/1430265284.db2.gz AHYJAQDQVFQDEB-HSZRJFAPSA-N 0 3 390.483 3.438 20 30 GGEDHN C[C@H](NCCC(=O)Nc1ccc(C#N)cc1)c1cccc(N2CCCC2=O)c1 ZINC000181420545 1430294174 /nfs/dbraw/zinc/29/41/74/1430294174.db2.gz QULQPYFMDRZEOI-INIZCTEOSA-N 0 3 376.460 3.364 20 30 GGEDHN C=C(C)CN(CC)C(=O)CN[C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181633324 1430331749 /nfs/dbraw/zinc/33/17/49/1430331749.db2.gz RMLDVDLIYXFFEN-GOSISDBHSA-N 0 3 390.547 3.043 20 30 GGEDHN CC(C)(COc1ncccc1C(F)(F)F)NCC(=O)Nc1cccc(C#N)c1 ZINC000181652438 1430335229 /nfs/dbraw/zinc/33/52/29/1430335229.db2.gz CGNCPEOTTLPHNG-UHFFFAOYSA-N 0 3 392.381 3.358 20 30 GGEDHN CC(C)(C)C(=O)N1CCC(CN2CCN([C@H](C#N)c3ccccc3)CC2)CC1 ZINC000181762524 1430354439 /nfs/dbraw/zinc/35/44/39/1430354439.db2.gz CDPOCZCRQWOFQZ-OAQYLSRUSA-N 0 3 382.552 3.154 20 30 GGEDHN CCN1CCN([C@@H](C)CNC(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000181804750 1430364152 /nfs/dbraw/zinc/36/41/52/1430364152.db2.gz PHCNSPVJCQZVHZ-SFHVURJKSA-N 0 3 392.503 3.106 20 30 GGEDHN N#CCCn1cc(CN[C@@H]2CC(=O)N(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000181959304 1430388573 /nfs/dbraw/zinc/38/85/73/1430388573.db2.gz FEZMFSVQVXQANI-HXUWFJFHSA-N 0 3 385.471 3.359 20 30 GGEDHN COc1ccc(CN2CC[C@H](N[C@@H](C)c3ccc(OCC#N)cc3)C2=O)cc1 ZINC000181968306 1430389913 /nfs/dbraw/zinc/38/99/13/1430389913.db2.gz JUVDEVONMSUURW-KKSFZXQISA-N 0 3 379.460 3.049 20 30 GGEDHN N#CCCN(C(=O)CN[C@H](CC(N)=O)C1CCCCC1)c1cccc(Cl)c1 ZINC000182043098 1430400907 /nfs/dbraw/zinc/40/09/07/1430400907.db2.gz XSHKNPPSBJRWOW-GOSISDBHSA-N 0 3 390.915 3.001 20 30 GGEDHN CC[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(Cl)cc1 ZINC000182308273 1430446028 /nfs/dbraw/zinc/44/60/28/1430446028.db2.gz CSSZKMITPJXPKU-OALUTQOASA-N 0 3 376.932 3.073 20 30 GGEDHN CC[C@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)[C@@H]1CCCO1 ZINC000182352617 1430452527 /nfs/dbraw/zinc/45/25/27/1430452527.db2.gz DHTKTPWAJRCYRV-OALUTQOASA-N 0 3 384.480 3.104 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(CCC(=O)N(CC)CC)CC2)CC1 ZINC000182517039 1430482219 /nfs/dbraw/zinc/48/22/19/1430482219.db2.gz JSPZSYNBJKUREB-UHFFFAOYSA-N 0 3 392.588 3.097 20 30 GGEDHN C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000182530782 1430484276 /nfs/dbraw/zinc/48/42/76/1430484276.db2.gz RNYIDKUVVABGNC-GOSISDBHSA-N 0 3 397.441 3.439 20 30 GGEDHN N#Cc1ccc(N2CCC[C@H](N3CCN(CC4CCCCC4)CC3)C2=O)cc1 ZINC000182697604 1430520405 /nfs/dbraw/zinc/52/04/05/1430520405.db2.gz BMPHSEZWYCAROW-QFIPXVFZSA-N 0 3 380.536 3.252 20 30 GGEDHN CCc1nccn1[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182759944 1430535255 /nfs/dbraw/zinc/53/52/55/1430535255.db2.gz BVDRCODPBPMAFL-VQTJNVASSA-N 0 3 377.492 3.150 20 30 GGEDHN CC1CCC(N2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 ZINC000182792895 1430541197 /nfs/dbraw/zinc/54/11/97/1430541197.db2.gz MRCSILALTVOKFE-ZOGYUUGASA-N 0 3 380.536 3.250 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182840487 1430551437 /nfs/dbraw/zinc/55/14/37/1430551437.db2.gz GTWBXRGTINJFAD-OAHLLOKOSA-N 0 3 394.397 3.498 20 30 GGEDHN CCOC(=O)CC[C@H]1CCCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000182924765 1430573164 /nfs/dbraw/zinc/57/31/64/1430573164.db2.gz XUVPUDUSESFJDL-UYAOXDASSA-N 0 3 383.492 3.109 20 30 GGEDHN CC(C)N(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C ZINC000183056059 1430601025 /nfs/dbraw/zinc/60/10/25/1430601025.db2.gz UQHFVBPQZJWPNW-KRWDZBQOSA-N 0 3 386.540 3.475 20 30 GGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000183102392 1430613694 /nfs/dbraw/zinc/61/36/94/1430613694.db2.gz XNGGNCZFDGAARS-KRWDZBQOSA-N 0 3 393.487 3.434 20 30 GGEDHN COc1cc(C#N)ccc1OCCN1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183185795 1430642295 /nfs/dbraw/zinc/64/22/95/1430642295.db2.gz WLNWQDQZCNFZSV-UHFFFAOYSA-N 0 3 394.397 3.498 20 30 GGEDHN COC[C@@H](NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1)C1CC1 ZINC000183456515 1430716050 /nfs/dbraw/zinc/71/60/50/1430716050.db2.gz OEIDIAOCIVNUCY-HXUWFJFHSA-N 0 3 398.482 3.117 20 30 GGEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000184031544 1430831809 /nfs/dbraw/zinc/83/18/09/1430831809.db2.gz QBVGQABRFJUEMT-HXUWFJFHSA-N 0 3 390.531 3.234 20 30 GGEDHN C[C@@H](C#N)Oc1ccccc1NC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000184314477 1430872257 /nfs/dbraw/zinc/87/22/57/1430872257.db2.gz IRDCECMRDRUWSJ-INIZCTEOSA-N 0 3 388.537 3.461 20 30 GGEDHN C[C@@H](C#N)CSc1ccccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184321542 1430872947 /nfs/dbraw/zinc/87/29/47/1430872947.db2.gz HNSUYOJEJFQHDW-IRXDYDNUSA-N 0 3 389.569 3.086 20 30 GGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000184321600 1430872961 /nfs/dbraw/zinc/87/29/61/1430872961.db2.gz HNSUYOJEJFQHDW-IAGOWNOFSA-N 0 3 389.569 3.086 20 30 GGEDHN C[C@H](CC#N)Sc1ccccc1NC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000184324053 1430873192 /nfs/dbraw/zinc/87/31/92/1430873192.db2.gz NOXDEKDITAALFN-DLBZAZTESA-N 0 3 389.569 3.228 20 30 GGEDHN CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cc3ccccc3s2)CC1 ZINC000184374302 1430879995 /nfs/dbraw/zinc/87/99/95/1430879995.db2.gz OAVBNODKDSIUGF-AEFFLSMTSA-N 0 3 384.549 3.244 20 30 GGEDHN CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2cc3ccccc3s2)CC1 ZINC000184374244 1430880072 /nfs/dbraw/zinc/88/00/72/1430880072.db2.gz OAVBNODKDSIUGF-FUHWJXTLSA-N 0 3 384.549 3.244 20 30 GGEDHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccccc1C#Cc1ccccc1 ZINC000184459758 1430890314 /nfs/dbraw/zinc/89/03/14/1430890314.db2.gz WAXDZRNHXZFDEV-HXUWFJFHSA-N 0 3 390.531 3.234 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000184590108 1430911356 /nfs/dbraw/zinc/91/13/56/1430911356.db2.gz TVSSUMQTZYSVGZ-LJQANCHMSA-N 0 3 377.916 3.463 20 30 GGEDHN COCCOc1ccc(C#N)cc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000184617868 1430920995 /nfs/dbraw/zinc/92/09/95/1430920995.db2.gz JSHJSBXTPPUDBB-UHFFFAOYSA-N 0 3 388.512 3.169 20 30 GGEDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000184842000 1431000539 /nfs/dbraw/zinc/00/05/39/1431000539.db2.gz GCKGYQJBXNYLDJ-QFIPXVFZSA-N 0 3 379.504 3.404 20 30 GGEDHN CCN1CCN(c2cccc(NC(=O)NCc3ccc(OCC#N)cc3)c2)CC1 ZINC000184913876 1431019810 /nfs/dbraw/zinc/01/98/10/1431019810.db2.gz VHXPZLXMKQVJOD-UHFFFAOYSA-N 0 3 393.491 3.053 20 30 GGEDHN CCOc1cc(NC2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)ncn1 ZINC000185667175 1431200533 /nfs/dbraw/zinc/20/05/33/1431200533.db2.gz SMVVAHMUNZFVIV-MRXNPFEDSA-N 0 3 381.480 3.243 20 30 GGEDHN C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(CN(C)C)c1)c1ccc(F)c(F)c1 ZINC000185779509 1431233669 /nfs/dbraw/zinc/23/36/69/1431233669.db2.gz BOMADIBOMGDZGS-LJQANCHMSA-N 0 3 387.430 3.399 20 30 GGEDHN NC(=NOCc1ccc(C(F)F)cc1)c1ccccc1CN1CCC(O)CC1 ZINC000185790372 1431236877 /nfs/dbraw/zinc/23/68/77/1431236877.db2.gz OWRMRZLSQNVDSD-UHFFFAOYSA-N 0 3 389.446 3.418 20 30 GGEDHN CSc1cccc(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1[N+](=O)[O-] ZINC000186148882 1431341935 /nfs/dbraw/zinc/34/19/35/1431341935.db2.gz PWFYGMBNEFNMSC-UHFFFAOYSA-N 0 3 398.488 3.392 20 30 GGEDHN CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000186219287 1431355242 /nfs/dbraw/zinc/35/52/42/1431355242.db2.gz LDFNUVXBQRPTSL-NHCUHLMSSA-N 0 3 386.540 3.225 20 30 GGEDHN C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CCOc1ccccc1C#N ZINC000186303865 1431376487 /nfs/dbraw/zinc/37/64/87/1431376487.db2.gz LOKLBSFVFRPTCT-KRWDZBQOSA-N 0 3 399.516 3.170 20 30 GGEDHN CCN(C(=O)Cc1cccc(OCC#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186319906 1431381436 /nfs/dbraw/zinc/38/14/36/1431381436.db2.gz PGHLEXQYXRJTCX-NRFANRHFSA-N 0 3 377.488 3.254 20 30 GGEDHN CCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000186322709 1431382412 /nfs/dbraw/zinc/38/24/12/1431382412.db2.gz MUDBKZULJUGXGF-NRFANRHFSA-N 0 3 377.488 3.254 20 30 GGEDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ncccc1OCCCC#N ZINC000186449013 1431422456 /nfs/dbraw/zinc/42/24/56/1431422456.db2.gz ZOKAAYSHZOBKEP-QGZVFWFLSA-N 0 3 381.480 3.406 20 30 GGEDHN Cc1ccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)N(C)C)cc1 ZINC000186447601 1431422609 /nfs/dbraw/zinc/42/26/09/1431422609.db2.gz HSMYRCSUTKZUTA-GOSISDBHSA-N 0 3 381.480 3.497 20 30 GGEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)CCN(C)C2CC2)c1C#N ZINC000186769671 1431511807 /nfs/dbraw/zinc/51/18/07/1431511807.db2.gz OVJDTUUUHOSVQL-UHFFFAOYSA-N 0 3 385.556 3.446 20 30 GGEDHN N#Cc1ccsc1NC(=O)CCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186933846 1431570096 /nfs/dbraw/zinc/57/00/96/1431570096.db2.gz HEDVPOCMQYEGNU-UHFFFAOYSA-N 0 3 387.480 3.157 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000187037956 1431597063 /nfs/dbraw/zinc/59/70/63/1431597063.db2.gz UEDGOVUDYWZRMH-UHFFFAOYSA-N 0 3 394.560 3.116 20 30 GGEDHN CCO[C@H]1C[C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1(CC)CC ZINC000187046405 1431599056 /nfs/dbraw/zinc/59/90/56/1431599056.db2.gz AZYQMKPVALFUKJ-MOPGFXCFSA-N 0 3 395.507 3.256 20 30 GGEDHN C#CCOc1ccccc1NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000187163535 1431635237 /nfs/dbraw/zinc/63/52/37/1431635237.db2.gz DNIXDDZIECWEBO-UHFFFAOYSA-N 0 3 377.488 3.481 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187238713 1431661163 /nfs/dbraw/zinc/66/11/63/1431661163.db2.gz BMEQLXNFNUYQGB-VGOFRKELSA-N 0 3 381.524 3.154 20 30 GGEDHN C=CC[C@H](C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)c1ccccc1 ZINC000188274315 1431868465 /nfs/dbraw/zinc/86/84/65/1431868465.db2.gz UUTTWTXTVBRASF-QHCPKHFHSA-N 0 3 377.532 3.410 20 30 GGEDHN C=CCn1c(SCCCN2CCN(C(C)C)CC2)nnc1-c1ccco1 ZINC000188282727 1431869372 /nfs/dbraw/zinc/86/93/72/1431869372.db2.gz BGDXBOOWGMGXSF-UHFFFAOYSA-N 0 3 375.542 3.232 20 30 GGEDHN CC(=O)Nc1ccc(C)c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000188403653 1431881343 /nfs/dbraw/zinc/88/13/43/1431881343.db2.gz IHJAJUGUGHCJHQ-UHFFFAOYSA-N 0 3 378.476 3.029 20 30 GGEDHN CN(C)CCN(Cc1cccc(O)c1)C(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000189549141 1432156431 /nfs/dbraw/zinc/15/64/31/1432156431.db2.gz SDFWJZDPZLVUNN-UHFFFAOYSA-N 0 3 390.405 3.353 20 30 GGEDHN COC(=O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(C)c1 ZINC000189597097 1432171030 /nfs/dbraw/zinc/17/10/30/1432171030.db2.gz OIVRGJNYAREZAF-QFIPXVFZSA-N 0 3 395.478 3.474 20 30 GGEDHN C#CCOc1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)cc1 ZINC000189983328 1432299829 /nfs/dbraw/zinc/29/98/29/1432299829.db2.gz QVVKACQWVHZKIG-SFHVURJKSA-N 0 3 398.528 3.432 20 30 GGEDHN C[C@@H](N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613727 1432420664 /nfs/dbraw/zinc/42/06/64/1432420664.db2.gz UMJBVIJIUKDVSZ-VGSWGCGISA-N 0 3 385.471 3.196 20 30 GGEDHN C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(-n2ccnc2)cc1 ZINC000190613670 1432420897 /nfs/dbraw/zinc/42/08/97/1432420897.db2.gz UMJBVIJIUKDVSZ-HTAPYJJXSA-N 0 3 385.471 3.196 20 30 GGEDHN COCCOCc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)ccc1F ZINC000190975330 1432541602 /nfs/dbraw/zinc/54/16/02/1432541602.db2.gz HTYHDNZCBDOICS-MRXNPFEDSA-N 0 3 379.391 3.422 20 30 GGEDHN C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1)[C@@H](c1ccccc1)N(C)C ZINC000191236378 1432599437 /nfs/dbraw/zinc/59/94/37/1432599437.db2.gz PJSADQRUGVUIEU-UZLBHIALSA-N 0 3 392.503 3.234 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC(c3ccncc3)CC2)c(OC)c1 ZINC000191629263 1432695849 /nfs/dbraw/zinc/69/58/49/1432695849.db2.gz YBFCFASDFLQLGR-OAQYLSRUSA-N 0 3 382.504 3.438 20 30 GGEDHN Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000191877347 1432745206 /nfs/dbraw/zinc/74/52/06/1432745206.db2.gz KUIFCEVYPSGZSW-HXUWFJFHSA-N 0 3 378.476 3.279 20 30 GGEDHN N#Cc1cc(F)ccc1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000191910876 1432753770 /nfs/dbraw/zinc/75/37/70/1432753770.db2.gz CPYLFMPMKPNMSP-IBGZPJMESA-N 0 3 382.439 3.110 20 30 GGEDHN Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(CN(C)C)ccc3C)CC2)o1 ZINC000192228404 1432819860 /nfs/dbraw/zinc/81/98/60/1432819860.db2.gz OTORTPNSEAFRIP-UHFFFAOYSA-N 0 3 381.480 3.080 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N2CCC(O)(c3ccccc3Cl)CC2)CC1 ZINC000192444067 1432845271 /nfs/dbraw/zinc/84/52/71/1432845271.db2.gz KDGGRWMRAUIADW-UHFFFAOYSA-N 0 3 391.943 3.374 20 30 GGEDHN N#Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000192984208 1432917102 /nfs/dbraw/zinc/91/71/02/1432917102.db2.gz MXMVYDIWBQQPMJ-MRXNPFEDSA-N 0 3 389.908 3.012 20 30 GGEDHN N#CC(CCN1CCC(N2CCNC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000193044525 1432926949 /nfs/dbraw/zinc/92/69/49/1432926949.db2.gz SMOCCTKAVJTFRX-UHFFFAOYSA-N 0 3 388.515 3.376 20 30 GGEDHN C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2ncsc2c1)C(C)C ZINC000193107469 1432936932 /nfs/dbraw/zinc/93/69/32/1432936932.db2.gz FLXUOZAXWQDLHX-KRWDZBQOSA-N 0 3 386.521 3.050 20 30 GGEDHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000193192326 1432954873 /nfs/dbraw/zinc/95/48/73/1432954873.db2.gz KRMSTGXJBGDVGP-OAHLLOKOSA-N 0 3 392.525 3.231 20 30 GGEDHN N#Cc1ccccc1N1CCCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000193239218 1432965208 /nfs/dbraw/zinc/96/52/08/1432965208.db2.gz OAVWVAQUCSOLFI-SFHVURJKSA-N 0 3 385.895 3.164 20 30 GGEDHN COc1ccc(C)cc1N1C[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)CC1=O ZINC000193281226 1432973842 /nfs/dbraw/zinc/97/38/42/1432973842.db2.gz GSHHTLWZYAEMGP-GJZGRUSLSA-N 0 3 389.411 3.374 20 30 GGEDHN CCCCCNC(=O)C(C#N)C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000193371712 1432986882 /nfs/dbraw/zinc/98/68/82/1432986882.db2.gz ZZIIWJPNGRZYSH-MRXNPFEDSA-N 0 3 382.464 3.059 20 30 GGEDHN N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1cncc(Br)c1 ZINC000193391528 1432989859 /nfs/dbraw/zinc/98/98/59/1432989859.db2.gz UUOPVAIRVPOECZ-CYBMUJFWSA-N 0 3 378.613 3.459 20 30 GGEDHN C=CCn1c(-c2ccccc2F)nn(CN2CCN(CC3CC3)CC2)c1=S ZINC000193427193 1432996597 /nfs/dbraw/zinc/99/65/97/1432996597.db2.gz NTZOBKSBRMFREB-UHFFFAOYSA-N 0 3 387.528 3.391 20 30 GGEDHN N#CC(C(=O)Nc1ccccc1)C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000193443486 1433000063 /nfs/dbraw/zinc/00/00/63/1433000063.db2.gz DWDDYQSYWZJEJU-ZDUSSCGKSA-N 0 3 399.332 3.247 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(Br)cs2)cc1 ZINC000194589626 1433202379 /nfs/dbraw/zinc/20/23/79/1433202379.db2.gz WIBCNUZTTYBKTI-LBPRGKRZSA-N 0 3 379.235 3.480 20 30 GGEDHN COc1ccc(NC(=O)C(C#N)C(=O)c2cc(Br)cs2)cc1 ZINC000194589639 1433202468 /nfs/dbraw/zinc/20/24/68/1433202468.db2.gz WIBCNUZTTYBKTI-GFCCVEGCSA-N 0 3 379.235 3.480 20 30 GGEDHN COc1cccc2c1CCC[C@@H]2N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000194970302 1433274539 /nfs/dbraw/zinc/27/45/39/1433274539.db2.gz UJBXWXRPUTXIDK-SFTDATJTSA-N 0 3 375.472 3.335 20 30 GGEDHN COCCNC(=O)C(C#N)C(=O)CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000194989086 1433277626 /nfs/dbraw/zinc/27/76/26/1433277626.db2.gz QBZYMZTVPQSHSO-OAQYLSRUSA-N 0 3 376.456 3.052 20 30 GGEDHN COCCN1CCC(NC(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000195036166 1433284077 /nfs/dbraw/zinc/28/40/77/1433284077.db2.gz CJRBQSMPFGTOHQ-UHFFFAOYSA-N 0 3 377.488 3.319 20 30 GGEDHN CN(CCNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000195614335 1433341997 /nfs/dbraw/zinc/34/19/97/1433341997.db2.gz URUHFTDTHQXBOW-UHFFFAOYSA-N 0 3 389.421 3.488 20 30 GGEDHN CCN1C[C@@H](CN(C)CCC(=O)Nc2ccccc2C#N)Oc2ccccc21 ZINC000198392257 1433349715 /nfs/dbraw/zinc/34/97/15/1433349715.db2.gz ANOSMWYNOOCSMK-GOSISDBHSA-N 0 3 378.476 3.106 20 30 GGEDHN C#CCOc1ccccc1CNCc1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000237007501 1433385582 /nfs/dbraw/zinc/38/55/82/1433385582.db2.gz ZVLJBBOMLJEZSS-UHFFFAOYSA-N 0 3 381.495 3.269 20 30 GGEDHN C[C@@H]1CN(c2ccc(CNCc3cccc(OCCCC#N)c3)cn2)CCO1 ZINC000237446240 1433403611 /nfs/dbraw/zinc/40/36/11/1433403611.db2.gz NLWPHHHDGREQHN-GOSISDBHSA-N 0 3 380.492 3.279 20 30 GGEDHN N#CCCCOc1cccc(CNCc2cccc(CN3CCOCC3)c2)c1 ZINC000237824642 1433426591 /nfs/dbraw/zinc/42/65/91/1433426591.db2.gz FGZVWSMJZBELHK-UHFFFAOYSA-N 0 3 379.504 3.491 20 30 GGEDHN C#CCOc1ccccc1CNC[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000238054639 1433441135 /nfs/dbraw/zinc/44/11/35/1433441135.db2.gz BYOPQNRWMCNAFQ-KRWDZBQOSA-N 0 3 379.378 3.247 20 30 GGEDHN CN(CCC#N)c1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245713876 1433504539 /nfs/dbraw/zinc/50/45/39/1433504539.db2.gz GMBNIUIMGQIZIG-QGZVFWFLSA-N 0 3 380.452 3.026 20 30 GGEDHN CN(C[C@H](O)c1ccc(C#N)cc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245952740 1433550351 /nfs/dbraw/zinc/55/03/51/1433550351.db2.gz BKIQORNNSKDKHU-CEXWTWQISA-N 0 3 377.271 3.489 20 30 GGEDHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000246000344 1433555859 /nfs/dbraw/zinc/55/58/59/1433555859.db2.gz YDECFKWQKNLMCT-PMACEKPBSA-N 0 3 393.535 3.318 20 30 GGEDHN N#Cc1ccc(OC[C@@H](O)CN(Cc2ccccc2)C[C@@H](O)c2ccco2)cc1 ZINC000246095152 1433567934 /nfs/dbraw/zinc/56/79/34/1433567934.db2.gz HONIXJBPCCLYKD-RBBKRZOGSA-N 0 3 392.455 3.127 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000246450844 1433614831 /nfs/dbraw/zinc/61/48/31/1433614831.db2.gz ITASPJLMFNGSPY-LOWVWBTDSA-N 0 3 380.803 3.106 20 30 GGEDHN COC(=O)[C@@H]1CCC[C@@H](C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000246450856 1433614887 /nfs/dbraw/zinc/61/48/87/1433614887.db2.gz ITASPJLMFNGSPY-WZRBSPASSA-N 0 3 380.803 3.106 20 30 GGEDHN COc1cc(N[C@@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)cc(OC)c1 ZINC000246768441 1433662515 /nfs/dbraw/zinc/66/25/15/1433662515.db2.gz QJHHABNSQFQRDS-XMSQKQJNSA-N 0 3 381.476 3.185 20 30 GGEDHN C=CCc1ccccc1OC[C@@H](O)CN1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000247401620 1433716508 /nfs/dbraw/zinc/71/65/08/1433716508.db2.gz RKUSDEIDITVZLD-UXHICEINSA-N 0 3 392.503 3.077 20 30 GGEDHN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000247446394 1433724092 /nfs/dbraw/zinc/72/40/92/1433724092.db2.gz YFHWUKGEWFCNMJ-GJZGRUSLSA-N 0 3 385.899 3.227 20 30 GGEDHN Cc1cc(C)cc(OC[C@H](O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000247887838 1433755151 /nfs/dbraw/zinc/75/51/51/1433755151.db2.gz UKDZKUHWIDHGFW-HSZRJFAPSA-N 0 3 393.531 3.123 20 30 GGEDHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000248078913 1433768400 /nfs/dbraw/zinc/76/84/00/1433768400.db2.gz IFDKUOMZXGMZGR-QFIPXVFZSA-N 0 3 393.535 3.300 20 30 GGEDHN CCOC(=O)c1ccc(N2CCCN([C@H](C)c3cccc(C#N)c3)CC2)nc1 ZINC000248936353 1433829917 /nfs/dbraw/zinc/82/99/17/1433829917.db2.gz NFJJUCVTLPZWQM-QGZVFWFLSA-N 0 3 378.476 3.403 20 30 GGEDHN C[C@H](O)CN1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000249219006 1433839169 /nfs/dbraw/zinc/83/91/69/1433839169.db2.gz FRHAKYGQNYPOFH-SFTDATJTSA-N 0 3 377.532 3.273 20 30 GGEDHN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H](C)Sc2nncn2C)cc1 ZINC000249707305 1433849384 /nfs/dbraw/zinc/84/93/84/1433849384.db2.gz BJMUCVYFEDTCHC-XEZPLFJOSA-N 0 3 385.493 3.157 20 30 GGEDHN C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](c3nccs3)C2)c(OC)c1 ZINC000249870260 1433853319 /nfs/dbraw/zinc/85/33/19/1433853319.db2.gz JPCIGHQYFJXYEI-QZTJIDSGSA-N 0 3 388.533 3.500 20 30 GGEDHN COCCN(Cc1ccc(C#N)cc1)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000250200352 1433855000 /nfs/dbraw/zinc/85/50/00/1433855000.db2.gz CFDJIOOVMDFEIH-UPVQGACJSA-N 0 3 394.515 3.462 20 30 GGEDHN CC(C)CN(CC(C)C)C(=O)CON=Cc1ccc(N2CCOCC2)cc1 ZINC000250607998 1433856966 /nfs/dbraw/zinc/85/69/66/1433856966.db2.gz XNHIWVWBEYKYJM-UHFFFAOYSA-N 0 3 375.513 3.014 20 30 GGEDHN N#Cc1ccccc1/C=C\C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000255520260 1433884293 /nfs/dbraw/zinc/88/42/93/1433884293.db2.gz XZWWHWBWYAKLSV-SEYXRHQNSA-N 0 3 388.515 3.290 20 30 GGEDHN Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)ON=Cc1ccc(N2CCOCC2)cc1 ZINC000255710745 1433888160 /nfs/dbraw/zinc/88/81/60/1433888160.db2.gz LMPDILUTVULDCQ-MOPGFXCFSA-N 0 3 395.503 3.448 20 30 GGEDHN C[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000263797788 1434035282 /nfs/dbraw/zinc/03/52/82/1434035282.db2.gz ZUDPUZJMYAHLOC-KZNAEPCWSA-N 0 3 384.524 3.150 20 30 GGEDHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000263835749 1434039845 /nfs/dbraw/zinc/03/98/45/1434039845.db2.gz UKHRGMZCXDIWEL-UHFFFAOYSA-N 0 3 384.549 3.445 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000264360679 1434102255 /nfs/dbraw/zinc/10/22/55/1434102255.db2.gz OOGVFPSRKJUCHQ-QZTJIDSGSA-N 0 3 386.540 3.068 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1 ZINC000264360789 1434102335 /nfs/dbraw/zinc/10/23/35/1434102335.db2.gz DMXVVTZDUNEXTC-UHFFFAOYSA-N 0 3 385.430 3.215 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)N(CC)Cc2ccc(OC)cc2OC)CC1 ZINC000264373541 1434103945 /nfs/dbraw/zinc/10/39/45/1434103945.db2.gz JNHNPSNAEOMMPF-UHFFFAOYSA-N 0 3 375.513 3.276 20 30 GGEDHN C=CCN1CCC(NC(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 ZINC000264383364 1434105234 /nfs/dbraw/zinc/10/52/34/1434105234.db2.gz JASRJSGOXTUZOT-UHFFFAOYSA-N 0 3 380.492 3.110 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000264431642 1434111814 /nfs/dbraw/zinc/11/18/14/1434111814.db2.gz XATWQXIETZCGEN-UHFFFAOYSA-N 0 3 392.931 3.339 20 30 GGEDHN C=CCN1CCC(NC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000264497915 1434120612 /nfs/dbraw/zinc/12/06/12/1434120612.db2.gz PMSFJWMVEILDKH-UHFFFAOYSA-N 0 3 381.451 3.458 20 30 GGEDHN CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000264733901 1434149786 /nfs/dbraw/zinc/14/97/86/1434149786.db2.gz QOFUCLJVSAGMPM-KRWDZBQOSA-N 0 3 386.540 3.225 20 30 GGEDHN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000264733901 1434149790 /nfs/dbraw/zinc/14/97/90/1434149790.db2.gz QOFUCLJVSAGMPM-KRWDZBQOSA-N 0 3 386.540 3.225 20 30 GGEDHN Cc1ncc(CO)c(/C=N/[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)c1O ZINC000265032824 1434176725 /nfs/dbraw/zinc/17/67/25/1434176725.db2.gz GOUCDUHCNGHOJC-XIDZHNATSA-N 0 3 393.409 3.300 20 30 GGEDHN Cc1ncc(CO)c(/C=N/[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[O-] ZINC000265032824 1434176728 /nfs/dbraw/zinc/17/67/28/1434176728.db2.gz GOUCDUHCNGHOJC-XIDZHNATSA-N 0 3 393.409 3.300 20 30 GGEDHN Cc1ncc(CO)c(/C=N/[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1[O-] ZINC000265032824 1434176732 /nfs/dbraw/zinc/17/67/32/1434176732.db2.gz GOUCDUHCNGHOJC-XIDZHNATSA-N 0 3 393.409 3.300 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cccc(C[S@@](=O)Cc3ccccc3)c2)CC1 ZINC000265241721 1434205722 /nfs/dbraw/zinc/20/57/22/1434205722.db2.gz YHZSOBSTZMWDKS-NDEPHWFRSA-N 0 3 394.540 3.419 20 30 GGEDHN Cc1ncc(CO)c(/C=N/c2ccc(N3CCC(C[NH+](C)C)CC3)cc2)c1[O-] ZINC000265541126 1434243940 /nfs/dbraw/zinc/24/39/40/1434243940.db2.gz DLFGTOBGQHIHFY-ZMOGYAJESA-N 0 3 382.508 3.117 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1Cl ZINC000266988572 1434396432 /nfs/dbraw/zinc/39/64/32/1434396432.db2.gz WTYPSAACMAEYBX-PXNSSMCTSA-N 0 3 398.894 3.216 20 30 GGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000267070001 1434405014 /nfs/dbraw/zinc/40/50/14/1434405014.db2.gz QMMQXSUPOXLGGX-IAGOWNOFSA-N 0 3 390.409 3.267 20 30 GGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000267070006 1434405024 /nfs/dbraw/zinc/40/50/24/1434405024.db2.gz QMMQXSUPOXLGGX-IRXDYDNUSA-N 0 3 390.409 3.267 20 30 GGEDHN N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000267070011 1434405110 /nfs/dbraw/zinc/40/51/10/1434405110.db2.gz QMMQXSUPOXLGGX-SJORKVTESA-N 0 3 390.409 3.267 20 30 GGEDHN C=CCN1CCC(NC(=O)N[C@@H](C)c2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000268533064 1434530840 /nfs/dbraw/zinc/53/08/40/1434530840.db2.gz FTKSOZVDANLDSE-HNNXBMFYSA-N 0 3 383.496 3.310 20 30 GGEDHN C#CCOc1ccc([C@@H](C)NCc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000268850683 1434564513 /nfs/dbraw/zinc/56/45/13/1434564513.db2.gz QMLXKNQYKLNLJV-LJQANCHMSA-N 0 3 391.515 3.218 20 30 GGEDHN N#Cc1ccc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(Cl)c1 ZINC000269146797 1434597384 /nfs/dbraw/zinc/59/73/84/1434597384.db2.gz PPYQBRDESDEMFV-HKUYNNGSSA-N 0 3 398.894 3.216 20 30 GGEDHN CCC(CC)n1ccc(CON=C(N)c2ccccc2CN2CCC(O)CC2)n1 ZINC000269307495 1434620815 /nfs/dbraw/zinc/62/08/15/1434620815.db2.gz FCUBXGQVWBRDRS-UHFFFAOYSA-N 0 3 399.539 3.038 20 30 GGEDHN C=C(C)CN1CCC(NC(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)CC1 ZINC000269551895 1434658862 /nfs/dbraw/zinc/65/88/62/1434658862.db2.gz YALMLEPAMMNZSU-UHFFFAOYSA-N 0 3 395.887 3.054 20 30 GGEDHN C#CC[C@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccccc1 ZINC000270163251 1434708617 /nfs/dbraw/zinc/70/86/17/1434708617.db2.gz AKZBZKDWFJNTHR-QHCPKHFHSA-N 0 3 390.531 3.495 20 30 GGEDHN C#CC[C@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000270411474 1434731324 /nfs/dbraw/zinc/73/13/24/1434731324.db2.gz LMNFFGILEJMMTH-JQVVWYNYSA-N 0 3 383.536 3.282 20 30 GGEDHN C#CC[C@@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccccc1 ZINC000270510618 1434740120 /nfs/dbraw/zinc/74/01/20/1434740120.db2.gz RNRVFCSMFLLSFD-HSZRJFAPSA-N 0 3 391.515 3.207 20 30 GGEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000270951216 1434790369 /nfs/dbraw/zinc/79/03/69/1434790369.db2.gz XMNKKPTZJASPHZ-PMACEKPBSA-N 0 3 386.540 3.225 20 30 GGEDHN CCN1CCN(c2ccc(NC(=O)Nc3cc(C)n(CCC#N)n3)c(C)c2)CC1 ZINC000271033711 1434797298 /nfs/dbraw/zinc/79/72/98/1434797298.db2.gz IULMGSUJIYMEQM-UHFFFAOYSA-N 0 3 395.511 3.200 20 30 GGEDHN COc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c([N+](=O)[O-])cc1[O-] ZINC000271091989 1434801358 /nfs/dbraw/zinc/80/13/58/1434801358.db2.gz VJWDLKLVYPBJJO-UHFFFAOYSA-N 0 3 398.419 3.055 20 30 GGEDHN COC(=O)[C@H]1CC12CCN(Cc1cn(CCC#N)nc1-c1ccccc1)CC2 ZINC000271184261 1434806857 /nfs/dbraw/zinc/80/68/57/1434806857.db2.gz MGKVGUGOVSZIQJ-LJQANCHMSA-N 0 3 378.476 3.239 20 30 GGEDHN C#CC[C@H](N[C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 ZINC000271457851 1434826471 /nfs/dbraw/zinc/82/64/71/1434826471.db2.gz HABPLSOUVBGWFK-AVRDEDQJSA-N 0 3 398.528 3.123 20 30 GGEDHN CC(=O)Nc1ccc(S(=O)(=O)CCCN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000271643002 1434841342 /nfs/dbraw/zinc/84/13/42/1434841342.db2.gz HJYAGRHZQAOQCU-OAHLLOKOSA-N 0 3 385.489 3.031 20 30 GGEDHN N#Cc1cccc(C2(NCCC(=O)Nc3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000271739235 1434847266 /nfs/dbraw/zinc/84/72/66/1434847266.db2.gz BUDDRGFUDQMLSP-UHFFFAOYSA-N 0 3 388.471 3.293 20 30 GGEDHN C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC#N)cc1 ZINC000271837900 1434853954 /nfs/dbraw/zinc/85/39/54/1434853954.db2.gz GFLCAPBSRWUXCT-JBZDTAIVSA-N 0 3 385.414 3.490 20 30 GGEDHN C#CCCN1CCN(C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000272032243 1434867526 /nfs/dbraw/zinc/86/75/26/1434867526.db2.gz PHGUVPREFNHVLV-DQEYMECFSA-N 0 3 392.543 3.103 20 30 GGEDHN Cc1cc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)nn1CCC#N ZINC000272052120 1434868851 /nfs/dbraw/zinc/86/88/51/1434868851.db2.gz HPPNRGSTUZVLAH-IBGZPJMESA-N 0 3 380.496 3.234 20 30 GGEDHN Cc1cc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)nn1CCC#N ZINC000272121682 1434873499 /nfs/dbraw/zinc/87/34/99/1434873499.db2.gz SIOFOYWMBGKXQA-GOSISDBHSA-N 0 3 380.496 3.234 20 30 GGEDHN CN1CC[C@@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@@H]2C1 ZINC000272380243 1434892113 /nfs/dbraw/zinc/89/21/13/1434892113.db2.gz BRQYKYPGZJMHRP-DENIHFKCSA-N 0 3 375.472 3.303 20 30 GGEDHN CN1CC[C@@H]2CCN(C(=O)c3cccc(COc4cccc(C#N)c4)c3)[C@H]2C1 ZINC000272380247 1434892192 /nfs/dbraw/zinc/89/21/92/1434892192.db2.gz BRQYKYPGZJMHRP-KNQAVFIVSA-N 0 3 375.472 3.303 20 30 GGEDHN CCOC(=O)C1CCN(C(=O)C[C@@H](C)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000272930027 1434941805 /nfs/dbraw/zinc/94/18/05/1434941805.db2.gz ZIYXYUXPJFRYFP-YLJYHZDGSA-N 0 3 385.508 3.201 20 30 GGEDHN C=CCc1ccc(OC[C@@H](O)CN(C)C[C@H](C)c2nccs2)c(OC)c1 ZINC000273097826 1434960648 /nfs/dbraw/zinc/96/06/48/1434960648.db2.gz VAABYDMRWGQXPW-RDJZCZTQSA-N 0 3 376.522 3.355 20 30 GGEDHN CN(CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273392091 1434985703 /nfs/dbraw/zinc/98/57/03/1434985703.db2.gz FJMYIFGICYZQOK-SFTDATJTSA-N 0 3 381.451 3.166 20 30 GGEDHN C=CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3ccccc3)c(C)c2)CC1 ZINC000273815866 1435017690 /nfs/dbraw/zinc/01/76/90/1435017690.db2.gz DVQBZBJVSCZLDA-UHFFFAOYSA-N 0 3 377.488 3.367 20 30 GGEDHN Cc1cc(NC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)nn1CCC#N ZINC000274445103 1435071535 /nfs/dbraw/zinc/07/15/35/1435071535.db2.gz UDDOYTGKBRJGGH-IBGZPJMESA-N 0 3 382.512 3.383 20 30 GGEDHN COC(=O)[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000275144171 1435118909 /nfs/dbraw/zinc/11/89/09/1435118909.db2.gz PUEFSGFXXIEOQT-QFIPXVFZSA-N 0 3 393.487 3.035 20 30 GGEDHN CO[C@@H]1CCCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000275247946 1435125594 /nfs/dbraw/zinc/12/55/94/1435125594.db2.gz PUUZOLQZGCIOEB-RBUKOAKNSA-N 0 3 384.480 3.104 20 30 GGEDHN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[C@@H](O)C(C)(C)C3)sc2C1 ZINC000275414349 1435137767 /nfs/dbraw/zinc/13/77/67/1435137767.db2.gz GPLPENCEZKICKI-SUMWQHHRSA-N 0 3 375.538 3.166 20 30 GGEDHN CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(Cc1cc(C#N)n(C)c1)CC2 ZINC000276796810 1435233203 /nfs/dbraw/zinc/23/32/03/1435233203.db2.gz UVFOTZUANFQYKP-HXUWFJFHSA-N 0 3 382.533 3.361 20 30 GGEDHN CCCn1ccnc1CCCN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000277021482 1435252812 /nfs/dbraw/zinc/25/28/12/1435252812.db2.gz AKAYPINXOAGZQD-LJQANCHMSA-N 0 3 381.524 3.493 20 30 GGEDHN N#CCOc1cccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000277418282 1435303385 /nfs/dbraw/zinc/30/33/85/1435303385.db2.gz GYUQQYZNRVOAON-OAQYLSRUSA-N 0 3 394.475 3.002 20 30 GGEDHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1 ZINC000277756246 1435327543 /nfs/dbraw/zinc/32/75/43/1435327543.db2.gz JUAMLASORMAZRY-UONOGXRCSA-N 0 3 397.445 3.339 20 30 GGEDHN CCN(C[C@H](C)C#N)C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000278282661 1435376233 /nfs/dbraw/zinc/37/62/33/1435376233.db2.gz KGRIDVZRTODNFU-OAHLLOKOSA-N 0 3 397.441 3.309 20 30 GGEDHN N#CCCn1cc(CNCc2ccc(C3OCCO3)cc2)c(-c2ccncc2)n1 ZINC000278555349 1435399731 /nfs/dbraw/zinc/39/97/31/1435399731.db2.gz BWUQMVIQWAZLJH-UHFFFAOYSA-N 0 3 389.459 3.194 20 30 GGEDHN CN(C)c1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1F ZINC000278597317 1435403606 /nfs/dbraw/zinc/40/36/06/1435403606.db2.gz HMXDPCIUVFLQFZ-UHFFFAOYSA-N 0 3 378.455 3.354 20 30 GGEDHN N#CCCn1cc(CNC[C@@H](O)c2c(F)cccc2Cl)c(-c2ccncc2)n1 ZINC000278668298 1435412166 /nfs/dbraw/zinc/41/21/66/1435412166.db2.gz NXXCBYPAKYEKAR-GOSISDBHSA-N 0 3 399.857 3.474 20 30 GGEDHN COCCOc1ccc(CNCc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000278778675 1435422888 /nfs/dbraw/zinc/42/28/88/1435422888.db2.gz YZHYICSKWUFZAS-UHFFFAOYSA-N 0 3 391.475 3.174 20 30 GGEDHN CC[C@@H](NCc1ccc(OCC(=O)N(C)C)c(OC)c1)c1ccc(C#N)cc1 ZINC000278841759 1435429897 /nfs/dbraw/zinc/42/98/97/1435429897.db2.gz UWBQLBGYYUOYIV-LJQANCHMSA-N 0 3 381.476 3.275 20 30 GGEDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000278940196 1435442542 /nfs/dbraw/zinc/44/25/42/1435442542.db2.gz XMQIBOBUMJOWQC-ZDUSSCGKSA-N 0 3 396.413 3.294 20 30 GGEDHN C=C(C)[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000279117304 1435461969 /nfs/dbraw/zinc/46/19/69/1435461969.db2.gz WOPOFGZYDFYIDV-YWZLYKJASA-N 0 3 393.478 3.477 20 30 GGEDHN C#CCn1ccc(CN(CC)C(=O)NC[C@H](c2ccsc2)N(CC)CC)n1 ZINC000279220800 1435473064 /nfs/dbraw/zinc/47/30/64/1435473064.db2.gz LRIDCDFWZKDTCN-LJQANCHMSA-N 0 3 387.553 3.192 20 30 GGEDHN N#CCCn1cc(CN(CCCO)Cc2ccccc2)c(-c2ccncc2)n1 ZINC000279325342 1435486708 /nfs/dbraw/zinc/48/67/08/1435486708.db2.gz CCIZJOFYTAIVCH-UHFFFAOYSA-N 0 3 375.476 3.243 20 30 GGEDHN N#CCCn1cc(CN2CCC(O)(c3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000279469863 1435502845 /nfs/dbraw/zinc/50/28/45/1435502845.db2.gz VKNVYAPTGPMQQT-UHFFFAOYSA-N 0 3 387.487 3.342 20 30 GGEDHN C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-c2nc(C)no2)CC1 ZINC000279752100 1435538343 /nfs/dbraw/zinc/53/83/43/1435538343.db2.gz SSXMDGSLKNWQAN-UHFFFAOYSA-N 0 3 392.381 3.348 20 30 GGEDHN C[C@@H]1CN(CC2CCN(C(=O)c3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000280332982 1435637445 /nfs/dbraw/zinc/63/74/45/1435637445.db2.gz RGSKMXDXIJJMLR-HDICACEKSA-N 0 3 383.536 3.449 20 30 GGEDHN C[C@@H]1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000280381553 1435649413 /nfs/dbraw/zinc/64/94/13/1435649413.db2.gz MRMZGZAVLVJACA-XXBNENTESA-N 0 3 386.499 3.364 20 30 GGEDHN C=CCN1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccc(C)cc2)CC1 ZINC000280827053 1435726929 /nfs/dbraw/zinc/72/69/29/1435726929.db2.gz OPRFUXBSTNUYBL-LJQANCHMSA-N 0 3 387.524 3.327 20 30 GGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)cc1F ZINC000280854735 1435730934 /nfs/dbraw/zinc/73/09/34/1435730934.db2.gz AZGBFRYGSAJJFP-HNAYVOBHSA-N 0 3 381.467 3.019 20 30 GGEDHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC000281511290 1435811741 /nfs/dbraw/zinc/81/17/41/1435811741.db2.gz KEGCNBOLZRGDFJ-QFBILLFUSA-N 0 3 381.467 3.019 20 30 GGEDHN CN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CCN(Cc2ccccc2)CC1 ZINC000281770167 1435821387 /nfs/dbraw/zinc/82/13/87/1435821387.db2.gz GBDXTZZIRRSOOR-UHFFFAOYSA-N 0 3 399.498 3.481 20 30 GGEDHN C=CCN1CCC(NC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC1 ZINC000281956045 1435828414 /nfs/dbraw/zinc/82/84/14/1435828414.db2.gz DDFSEEJSHNDTIN-UHFFFAOYSA-N 0 3 382.430 3.336 20 30 GGEDHN C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC000282321034 1435842979 /nfs/dbraw/zinc/84/29/79/1435842979.db2.gz QGJTXNCYLWNQIW-NRFANRHFSA-N 0 3 395.551 3.307 20 30 GGEDHN C[C@H](C#N)CSc1ccccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000282442653 1435847281 /nfs/dbraw/zinc/84/72/81/1435847281.db2.gz ZORMOFVOKVJSDO-MRXNPFEDSA-N 0 3 389.569 3.086 20 30 GGEDHN CCN1CCN([C@@H]2CCN(c3c(C#N)cnc4c(Cl)cc(C)cc43)C2)CC1 ZINC000282879554 1435864368 /nfs/dbraw/zinc/86/43/68/1435864368.db2.gz QYWWLHNQTRIWJE-QGZVFWFLSA-N 0 3 383.927 3.285 20 30 GGEDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000283794811 1435925236 /nfs/dbraw/zinc/92/52/36/1435925236.db2.gz UQCKEFVZHCYVFT-RZUBCFFCSA-N 0 3 387.487 3.107 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000284477911 1436024580 /nfs/dbraw/zinc/02/45/80/1436024580.db2.gz AUCLFCVAUAGBCY-HXUWFJFHSA-N 0 3 396.491 3.035 20 30 GGEDHN C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 ZINC000284477909 1436024760 /nfs/dbraw/zinc/02/47/60/1436024760.db2.gz AUCLFCVAUAGBCY-FQEVSTJZSA-N 0 3 396.491 3.035 20 30 GGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164727872 720345957 /nfs/dbraw/zinc/34/59/57/720345957.db2.gz UROUMZRDLWVEHL-OALUTQOASA-N 0 3 390.878 3.403 20 30 GGEDHN N#Cc1cnc2cnc(Cl)cc2c1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164727878 720346017 /nfs/dbraw/zinc/34/60/17/720346017.db2.gz UROUMZRDLWVEHL-RBUKOAKNSA-N 0 3 390.878 3.403 20 30 GGEDHN Cc1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C#N)c(C)c1Cl ZINC001164868162 721050181 /nfs/dbraw/zinc/05/01/81/721050181.db2.gz NJCYJVSTWUPHLB-ZWKOTPCHSA-N 0 3 397.910 3.098 20 30 GGEDHN Cn1cc(CN2CC[C@H]3CN(c4ncccc4C#C[Si](C)(C)C)C[C@H]3C2)cn1 ZINC001164771322 721162405 /nfs/dbraw/zinc/16/24/05/721162405.db2.gz SAGJAWAHMVSKFX-LEWJYISDSA-N 0 3 393.611 3.002 20 30 GGEDHN N#Cc1cc2c(nc1N1CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C1)CCCC2 ZINC001164903109 721552663 /nfs/dbraw/zinc/55/26/63/721552663.db2.gz AMDBBXHRJTZRIA-FPOVZHCZSA-N 0 3 392.478 3.313 20 30 GGEDHN N#CCc1ccnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907766 721716296 /nfs/dbraw/zinc/71/62/96/721716296.db2.gz TZTHZCJFUIEUOX-HXUWFJFHSA-N 0 3 383.446 3.280 20 30 GGEDHN CC(C)c1ccc(C#N)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164983910 722103294 /nfs/dbraw/zinc/10/32/94/722103294.db2.gz QYJWZCKFVCBVLP-IRLDBZIGSA-N 0 3 391.519 3.199 20 30 GGEDHN N#Cc1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164973855 722111028 /nfs/dbraw/zinc/11/10/28/722111028.db2.gz HNLFECKAVAJTMM-FYYLOGMGSA-N 0 3 399.498 3.229 20 30 GGEDHN N#Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc2ccccc12 ZINC001164984991 722140021 /nfs/dbraw/zinc/14/00/21/722140021.db2.gz YRYKVFBCNKSDLT-CVDCTZTESA-N 0 3 399.498 3.229 20 30 GGEDHN