smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1Cc2cccc(C(=O)C(C#N)c3ncc(C(C)(C)C)s3)c2O1 ZINC000453777827 1032131241 /nfs/dbraw/zinc/13/12/41/1032131241.db2.gz JDTQAKPZYNSUBJ-RISCZKNCSA-N 0 1 340.448 4.254 20 30 EIEDMN C[C@@H]1Cc2cccc(C(=O)[C@H](C#N)c3ncc(C(C)(C)C)s3)c2O1 ZINC000453777827 1032131256 /nfs/dbraw/zinc/13/12/56/1032131256.db2.gz JDTQAKPZYNSUBJ-RISCZKNCSA-N 0 1 340.448 4.254 20 30 EIEDMN CCCCCCCN1C[C@@H](O)C[C@H]1c1nc(-c2ccc(C)cc2)no1 ZINC001211975325 1032261866 /nfs/dbraw/zinc/26/18/66/1032261866.db2.gz DEPQLGUQUBTYJC-ROUUACIJSA-N 0 1 343.471 4.123 20 30 EIEDMN N#C[C@@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc2ccccc2o1 ZINC000171567704 1032265058 /nfs/dbraw/zinc/26/50/58/1032265058.db2.gz RCEOQNVPBQGWNY-AWEZNQCLSA-N 0 1 345.333 4.248 20 30 EIEDMN N#CC(C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc2ccccc2o1 ZINC000171567704 1032265081 /nfs/dbraw/zinc/26/50/81/1032265081.db2.gz RCEOQNVPBQGWNY-AWEZNQCLSA-N 0 1 345.333 4.248 20 30 EIEDMN CCC(C#N)(CC)C(=O)N(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000529454081 1032373474 /nfs/dbraw/zinc/37/34/74/1032373474.db2.gz WFULJSAZSDMTKS-NSHDSACASA-N 0 1 332.835 4.066 20 30 EIEDMN N#CCCCOc1cccc(NCc2cnc(-c3ccccc3)[nH]2)c1 ZINC000175980143 1032455980 /nfs/dbraw/zinc/45/59/80/1032455980.db2.gz YKWKLASZJWHBJB-UHFFFAOYSA-N 0 1 332.407 4.371 20 30 EIEDMN CC(C)c1csc(C(C#N)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000177746541 1032503571 /nfs/dbraw/zinc/50/35/71/1032503571.db2.gz GWIUOFQHQWIZLK-GFCCVEGCSA-N 0 1 349.799 4.318 20 30 EIEDMN COc1cc([C@H](C)NCc2ccc(C#N)cc2F)ccc1OC(C)C ZINC000533449088 1032762880 /nfs/dbraw/zinc/76/28/80/1032762880.db2.gz HRQKIKKWDWCDJT-AWEZNQCLSA-N 0 1 342.414 4.344 20 30 EIEDMN C=CCc1cccc(C(C)C)c1NC(=O)N1CCN([C@H](C)CC)CC1 ZINC000455243659 1032768241 /nfs/dbraw/zinc/76/82/41/1032768241.db2.gz JHPPNFRVUXTDPS-QGZVFWFLSA-N 0 1 343.515 4.487 20 30 EIEDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1 ZINC000558736893 1019006827 /nfs/dbraw/zinc/00/68/27/1019006827.db2.gz XNAIVYADCDJMJQ-NSHDSACASA-N 0 1 348.233 4.154 20 30 EIEDMN CC1(C)Cc2cccc(C(=O)C(C#N)c3nc4ccccc4s3)c2O1 ZINC000654968801 1019065669 /nfs/dbraw/zinc/06/56/69/1019065669.db2.gz LWZAEYDIXGVXIR-AWEZNQCLSA-N 0 1 348.427 4.500 20 30 EIEDMN C=CCCCCCN1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001209431452 1020323101 /nfs/dbraw/zinc/32/31/01/1020323101.db2.gz OFZWOKIKQBXXFN-UHFFFAOYSA-N 0 1 346.490 4.153 20 30 EIEDMN C=CCCCCCCN1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C1 ZINC001209436280 1020334458 /nfs/dbraw/zinc/33/44/58/1020334458.db2.gz PGWTVYCLPJCOEZ-JKSUJKDBSA-N 0 1 328.472 4.060 20 30 EIEDMN C=CCN(CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)C(C)C ZINC001167227459 1020602336 /nfs/dbraw/zinc/60/23/36/1020602336.db2.gz QSPHXUCWOCVACQ-FQEVSTJZSA-N 0 1 332.463 4.070 20 30 EIEDMN COC(=O)c1coc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000340441929 1021034298 /nfs/dbraw/zinc/03/42/98/1021034298.db2.gz DRZCFOQGPFBYOQ-PBHICJAKSA-N 0 1 326.396 4.152 20 30 EIEDMN N#Cc1c(Cl)cccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000610303956 1021079447 /nfs/dbraw/zinc/07/94/47/1021079447.db2.gz KJZSXSXIRLFZRV-KRWDZBQOSA-N 0 1 329.831 4.444 20 30 EIEDMN C[C@@H]1CO[C@@H](C(=O)C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)C1 ZINC000892507441 1021206372 /nfs/dbraw/zinc/20/63/72/1021206372.db2.gz QHTCWZOQNFYADF-PSOPSSQASA-N 0 1 346.839 4.065 20 30 EIEDMN CCc1ccc([C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000610343239 1021331302 /nfs/dbraw/zinc/33/13/02/1021331302.db2.gz BWHKCPBRCOLQEY-YESZJQIVSA-N 0 1 349.478 4.037 20 30 EIEDMN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000610343963 1021334220 /nfs/dbraw/zinc/33/42/20/1021334220.db2.gz XCLBEDKFXNVSSA-UONOGXRCSA-N 0 1 341.842 4.198 20 30 EIEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000610343478 1021338058 /nfs/dbraw/zinc/33/80/58/1021338058.db2.gz IRNNCZMASILOCU-VXGBXAGGSA-N 0 1 345.805 4.029 20 30 EIEDMN C[C@H](N[C@@H](C)c1cccc(C#N)c1)C(=O)Nc1cccc2ccccc21 ZINC000610343412 1021338809 /nfs/dbraw/zinc/33/88/09/1021338809.db2.gz FZFJGHBKCJVIER-HOTGVXAUSA-N 0 1 343.430 4.389 20 30 EIEDMN C[C@@H](NCc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000610344983 1021340384 /nfs/dbraw/zinc/34/03/84/1021340384.db2.gz PQGDFQYEQHXFCT-LLVKDONJSA-N 0 1 333.204 4.311 20 30 EIEDMN Cc1cc(C)c(NC(=O)[C@H](C)N[C@@H](C)c2cccc(C#N)c2)c(C)c1 ZINC000610346072 1021342833 /nfs/dbraw/zinc/34/28/33/1021342833.db2.gz JUWFNDKFNDZOJI-IRXDYDNUSA-N 0 1 335.451 4.161 20 30 EIEDMN CCc1cccc(CC)c1NC(=O)[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000610346150 1021345976 /nfs/dbraw/zinc/34/59/76/1021345976.db2.gz MVPTUPOZYOIGCZ-HZPDHXFCSA-N 0 1 349.478 4.361 20 30 EIEDMN N#Cc1ccc(C(=O)C(C#N)c2ccc(C(F)(F)F)cn2)cc1Cl ZINC000123740857 1021440473 /nfs/dbraw/zinc/44/04/73/1021440473.db2.gz WWMMZZGODIQZGV-GFCCVEGCSA-N 0 1 349.699 4.116 20 30 EIEDMN CCCCOc1ccc(CNCc2cc(C#N)cs2)cc1OC ZINC000177685181 1021442361 /nfs/dbraw/zinc/44/23/61/1021442361.db2.gz VZSPLBSCWFCHGF-UHFFFAOYSA-N 0 1 330.453 4.097 20 30 EIEDMN N#Cc1ccc(CN[C@@H](CC2CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000581254634 1021839549 /nfs/dbraw/zinc/83/95/49/1021839549.db2.gz OSJGKMNGDVLLKV-IBGZPJMESA-N 0 1 335.407 4.488 20 30 EIEDMN Cc1c[nH]cc1C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000613405048 1021954498 /nfs/dbraw/zinc/95/44/98/1021954498.db2.gz UEVGSJZKIDNATJ-JTQLQIEISA-N 0 1 349.337 4.442 20 30 EIEDMN Cc1c[nH]cc1C(=O)[C@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000613405048 1021954532 /nfs/dbraw/zinc/95/45/32/1021954532.db2.gz UEVGSJZKIDNATJ-JTQLQIEISA-N 0 1 349.337 4.442 20 30 EIEDMN COc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)cc1OCCCC#N ZINC000414153570 1021985340 /nfs/dbraw/zinc/98/53/40/1021985340.db2.gz ZOOIOGWHGDXLOV-UHFFFAOYSA-N 0 1 339.370 4.369 20 30 EIEDMN CC[C@H](C)Oc1ccc(C(=O)C(C#N)c2nc3ccccc3o2)cc1 ZINC000175122855 1022251511 /nfs/dbraw/zinc/25/15/11/1022251511.db2.gz CDNXYHMKGAIPPW-BBRMVZONSA-N 0 1 334.375 4.495 20 30 EIEDMN C[C@@H](NCCCC#N)c1ccc(Br)cc1Br ZINC000309359603 1022554611 /nfs/dbraw/zinc/55/46/11/1022554611.db2.gz AFYCNEFTGNKFQZ-SECBINFHSA-N 0 1 346.066 4.166 20 30 EIEDMN N#Cc1ccc(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)nc1 ZINC000580869836 1022642545 /nfs/dbraw/zinc/64/25/45/1022642545.db2.gz PKAJIZMTMPCWLF-UHFFFAOYSA-N 0 1 340.430 4.180 20 30 EIEDMN C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc2cn[nH]c21 ZINC000108325030 1022770615 /nfs/dbraw/zinc/77/06/15/1022770615.db2.gz QBNUQLAWQXRBEY-GFCCVEGCSA-N 0 1 336.420 4.067 20 30 EIEDMN N#Cc1ccc(CNCc2ccc(OCc3ccccc3)cc2)s1 ZINC000176948550 1022852498 /nfs/dbraw/zinc/85/24/98/1022852498.db2.gz FKJQOULDMQOJES-UHFFFAOYSA-N 0 1 334.444 4.489 20 30 EIEDMN C[C@@H](NCc1ccnc(-c2ccc(F)cc2)n1)c1ccc(C#N)cc1 ZINC000378510733 1022852814 /nfs/dbraw/zinc/85/28/14/1022852814.db2.gz IPOHGIGNTUCUQI-CQSZACIVSA-N 0 1 332.382 4.005 20 30 EIEDMN CC(C)(C)[C@H](NCC(=O)Nc1sccc1C#N)c1cccc(F)c1 ZINC000181065996 1022886779 /nfs/dbraw/zinc/88/67/79/1022886779.db2.gz AYUCGVAWNVVWLK-MRXNPFEDSA-N 0 1 345.443 4.074 20 30 EIEDMN Cc1cccc2nc(C3CCN(Cc4cc(C#N)cs4)CC3)oc21 ZINC000188885086 1022953756 /nfs/dbraw/zinc/95/37/56/1022953756.db2.gz NJLXXYRDBZBAEK-UHFFFAOYSA-N 0 1 337.448 4.449 20 30 EIEDMN Cc1c(NC(=O)C(C)(C)C)ccnc1N[C@@H](C)c1cccc(C#N)c1 ZINC001167707492 1022968115 /nfs/dbraw/zinc/96/81/15/1022968115.db2.gz YVRCVQPHSVNNNN-AWEZNQCLSA-N 0 1 336.439 4.419 20 30 EIEDMN C#CCC1(C(=O)Nc2nc(-c3cccc(Cl)c3)n[nH]2)CCCCC1 ZINC001125493578 1023095622 /nfs/dbraw/zinc/09/56/22/1023095622.db2.gz AHBHORGWGUHASA-UHFFFAOYSA-N 0 1 342.830 4.037 20 30 EIEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2cc3c(s2)CCC3)s1 ZINC000430580723 1023099896 /nfs/dbraw/zinc/09/98/96/1023099896.db2.gz FMFHTVURAYJGQY-NSHDSACASA-N 0 1 330.478 4.481 20 30 EIEDMN C[C@H](Nc1cnc2cc(Br)ccn12)c1cccc(C#N)c1 ZINC001167710818 1023145689 /nfs/dbraw/zinc/14/56/89/1023145689.db2.gz QYRYQOXHTURWIZ-NSHDSACASA-N 0 1 341.212 4.142 20 30 EIEDMN Cc1ccc(C(=O)Nc2ccccc2-c2nnc(C(C)C)[nH]2)cc1C#N ZINC000376756521 1023305005 /nfs/dbraw/zinc/30/50/05/1023305005.db2.gz ZWZKPMCIFCUHBO-UHFFFAOYSA-N 0 1 345.406 4.028 20 30 EIEDMN COc1cc(C#N)ccc1CN1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549173474 1023420809 /nfs/dbraw/zinc/42/08/09/1023420809.db2.gz XFRYTXMRHBXVIC-MRXNPFEDSA-N 0 1 338.373 4.121 20 30 EIEDMN C[C@H](C#N)Oc1ccc(C[N@H+]2CCSC[C@@H]2c2cccs2)cc1 ZINC000377249561 1023427225 /nfs/dbraw/zinc/42/72/25/1023427225.db2.gz KUZHAFFIZOWAEJ-RHSMWYFYSA-N 0 1 344.505 4.329 20 30 EIEDMN C[C@H](C#N)Oc1ccc(CN2CCSC[C@@H]2c2cccs2)cc1 ZINC000377249561 1023427232 /nfs/dbraw/zinc/42/72/32/1023427232.db2.gz KUZHAFFIZOWAEJ-RHSMWYFYSA-N 0 1 344.505 4.329 20 30 EIEDMN C=CCCCCNCc1c(Br)cncc1Br ZINC000390375351 1023493096 /nfs/dbraw/zinc/49/30/96/1023493096.db2.gz XKIQAHIYGVNFOR-UHFFFAOYSA-N 0 1 348.082 4.053 20 30 EIEDMN C=CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC000656759363 1023500184 /nfs/dbraw/zinc/50/01/84/1023500184.db2.gz DOVBUXAZPQYUNI-NHYWBVRUSA-N 0 1 328.239 4.407 20 30 EIEDMN C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000656760678 1023501779 /nfs/dbraw/zinc/50/17/79/1023501779.db2.gz XJDXQGXSCYOREY-XHDPSFHLSA-N 0 1 328.239 4.407 20 30 EIEDMN C=CC[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)C1 ZINC000656760677 1023502096 /nfs/dbraw/zinc/50/20/96/1023502096.db2.gz XJDXQGXSCYOREY-NHYWBVRUSA-N 0 1 328.239 4.407 20 30 EIEDMN CCCn1c2ccccc2nc1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000418137436 1023555085 /nfs/dbraw/zinc/55/50/85/1023555085.db2.gz BPTYAGCYWXGHBU-IBGZPJMESA-N 0 1 344.462 4.485 20 30 EIEDMN Cc1nc(C(C)(C)C)sc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000146847046 1023568155 /nfs/dbraw/zinc/56/81/55/1023568155.db2.gz FGYIECDCRGPKKP-NSHDSACASA-N 0 1 338.436 4.115 20 30 EIEDMN C=CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 ZINC000024499799 1023595818 /nfs/dbraw/zinc/59/58/18/1023595818.db2.gz KYQNZFNREYKGEK-UHFFFAOYSA-N 0 1 331.419 4.214 20 30 EIEDMN CCN(CC(=O)c1c[nH]c2ccccc21)[C@@H](C)c1ccc(C#N)cc1 ZINC000103468816 1023686234 /nfs/dbraw/zinc/68/62/34/1023686234.db2.gz DSEHRLLRXFTGDV-HNNXBMFYSA-N 0 1 331.419 4.305 20 30 EIEDMN C=CCC(C)(C)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000432007656 1023832374 /nfs/dbraw/zinc/83/23/74/1023832374.db2.gz QXPLQSVAUBGAJZ-QGZVFWFLSA-N 0 1 334.891 4.195 20 30 EIEDMN C=CCc1cc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)cc(OC)c1O ZINC000511757544 1023864473 /nfs/dbraw/zinc/86/44/73/1023864473.db2.gz PGRGJNOOOLVACR-CQSZACIVSA-N 0 1 327.424 4.448 20 30 EIEDMN C=CCc1cc(CN([C@H](C)c2ccco2)C2CC2)cc(OC)c1O ZINC000511757544 1023864478 /nfs/dbraw/zinc/86/44/78/1023864478.db2.gz PGRGJNOOOLVACR-CQSZACIVSA-N 0 1 327.424 4.448 20 30 EIEDMN C=CCOc1ccccc1CN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000128498458 1023898138 /nfs/dbraw/zinc/89/81/38/1023898138.db2.gz HFDYALPNRUUUAU-OAHLLOKOSA-N 0 1 327.424 4.119 20 30 EIEDMN N#Cc1cccc(Oc2ccc(NC(=O)c3cccc(F)c3O)cc2)c1 ZINC001125980191 1024000078 /nfs/dbraw/zinc/00/00/78/1024000078.db2.gz RQIFXSAFKSRYTC-UHFFFAOYSA-N 0 1 348.333 4.448 20 30 EIEDMN CCCN(CC(=O)c1c[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000109104293 1024150407 /nfs/dbraw/zinc/15/04/07/1024150407.db2.gz WXKLFUOABNSDFV-UHFFFAOYSA-N 0 1 331.419 4.134 20 30 EIEDMN COc1ccc(OC)c([C@H](C)N[C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000341755760 1024608140 /nfs/dbraw/zinc/60/81/40/1024608140.db2.gz ADTNAJAZGUJDHZ-VBKZILBWSA-N 0 1 336.435 4.304 20 30 EIEDMN N#CC(CCN1CCC(F)(C#N)CC1)(c1ccccc1)c1ccccc1 ZINC000510873244 1024693182 /nfs/dbraw/zinc/69/31/82/1024693182.db2.gz SCTXJHRMCINTMA-UHFFFAOYSA-N 0 1 347.437 4.214 20 30 EIEDMN C[C@@H]1Cc2ccccc2N1C1CCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000610719295 1024720138 /nfs/dbraw/zinc/72/01/38/1024720138.db2.gz WBNPXGRYXWXLJJ-MRXNPFEDSA-N 0 1 349.453 4.113 20 30 EIEDMN C=CCCC[C@@H](C(=O)Nc1ccn(-c2ccncc2)n1)c1ccccc1 ZINC001126192981 1024852987 /nfs/dbraw/zinc/85/29/87/1024852987.db2.gz FDCUSFJZGWROFA-LJQANCHMSA-N 0 1 346.434 4.346 20 30 EIEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1c(O)cccc1F ZINC000185727877 1025007149 /nfs/dbraw/zinc/00/71/49/1025007149.db2.gz SDBSVNRZHVYJJA-NSHDSACASA-N 0 1 330.384 4.178 20 30 EIEDMN CC(N=Nc1ccc(Br)cc1F)c1cccc(C#N)c1 ZINC000728432646 1025404329 /nfs/dbraw/zinc/40/43/29/1025404329.db2.gz 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COC[C@H](NCc1ccc(C)c(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000599356611 1036968066 /nfs/dbraw/zinc/96/80/66/1036968066.db2.gz NKUODDLRVCLJHD-SFHVURJKSA-N 0 1 348.368 4.363 20 30 EIEDMN CN(CCCOc1cccc(Cl)c1)Cc1ccc(C#N)cc1F ZINC000603869734 1037065457 /nfs/dbraw/zinc/06/54/57/1037065457.db2.gz FGSQGUOTBLITAU-UHFFFAOYSA-N 0 1 332.806 4.252 20 30 EIEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cnc(-c2ccccc2)nc1 ZINC000603882512 1037073257 /nfs/dbraw/zinc/07/32/57/1037073257.db2.gz APIKCCYOSVWEQS-UHFFFAOYSA-N 0 1 342.446 4.427 20 30 EIEDMN CC[C@@H](C)Oc1cc(CNCc2ccc(C#N)c(F)c2)ccc1OC ZINC000590662694 1037136049 /nfs/dbraw/zinc/13/60/49/1037136049.db2.gz WIGPGZNTIPRMRX-CQSZACIVSA-N 0 1 342.414 4.173 20 30 EIEDMN C=CCCO[C@@H](C)C(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909709672 1037143670 /nfs/dbraw/zinc/14/36/70/1037143670.db2.gz NMVONARZKWQUAS-LBPRGKRZSA-N 0 1 343.402 4.013 20 30 EIEDMN N#Cc1ccc2c(c1)CCC[C@H]2NCc1cccc(C(F)(F)F)n1 ZINC000590779093 1037163805 /nfs/dbraw/zinc/16/38/05/1037163805.db2.gz 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326.223 4.077 20 30 EIEDMN CCSc1ccc(C(O)=C(C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000480968497 1038894923 /nfs/dbraw/zinc/89/49/23/1038894923.db2.gz SWGJXMHWDSESLK-OAHLLOKOSA-N 0 1 335.432 4.473 20 30 EIEDMN N#CC(C(=O)c1ccccc1OC(F)F)c1nc2ccccc2s1 ZINC000041500372 1038982850 /nfs/dbraw/zinc/98/28/50/1038982850.db2.gz PJNZYRWHTDHMCW-LLVKDONJSA-N 0 1 344.342 4.388 20 30 EIEDMN C#CCCOc1ccc(CN[C@@H](c2ncc(C)s2)C2CC2)cc1 ZINC000174545268 1038994744 /nfs/dbraw/zinc/99/47/44/1038994744.db2.gz RGJAMQJMRUCWEQ-GOSISDBHSA-N 0 1 326.465 4.095 20 30 EIEDMN CC(C)CCN(CCC#N)C(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000505213805 1039120555 /nfs/dbraw/zinc/12/05/55/1039120555.db2.gz RVCPUJFARGLIAB-UHFFFAOYSA-N 0 1 344.846 4.132 20 30 EIEDMN C=C(C)CN(C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000481267636 1039198535 /nfs/dbraw/zinc/19/85/35/1039198535.db2.gz HCGAWXZGRUBPTO-MRXNPFEDSA-N 0 1 341.282 4.165 20 30 EIEDMN C=CCCCN(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000121124141 1039313483 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Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000122198015 1039613560 /nfs/dbraw/zinc/61/35/60/1039613560.db2.gz XWQFNTVGNPOPSW-ZDUSSCGKSA-N 0 1 349.777 4.463 20 30 EIEDMN C=C(CNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccccc1 ZINC000479010395 1040068756 /nfs/dbraw/zinc/06/87/56/1040068756.db2.gz DSNXBRKDFJPFMA-UHFFFAOYSA-N 0 1 342.349 4.335 20 30 EIEDMN CC(C)(C)CN(CCC#N)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159771125 1040208593 /nfs/dbraw/zinc/20/85/93/1040208593.db2.gz MDQBQHOXPDAKNC-UHFFFAOYSA-N 0 1 349.276 4.087 20 30 EIEDMN N#Cc1ccc(CNCc2ccc(COCc3ccccc3)cc2)o1 ZINC000539447643 1040450703 /nfs/dbraw/zinc/45/07/03/1040450703.db2.gz BQVKFONQAYEPIA-UHFFFAOYSA-N 0 1 332.403 4.158 20 30 EIEDMN CN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1cccc(F)c1 ZINC000160458086 1040536389 /nfs/dbraw/zinc/53/63/89/1040536389.db2.gz PIHRDYXYVPANJB-UHFFFAOYSA-N 0 1 348.425 4.235 20 30 EIEDMN CCCC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000539608609 1040605153 /nfs/dbraw/zinc/60/51/53/1040605153.db2.gz 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/nfs/dbraw/zinc/91/28/17/1040912817.db2.gz OYXMUZHLLUAJAV-LBPRGKRZSA-N 0 1 341.318 4.284 20 30 EIEDMN CCSCC[C@H](C)N(C)Cc1ccc(Br)cc1C#N ZINC000554243618 1040912843 /nfs/dbraw/zinc/91/28/43/1040912843.db2.gz OYXMUZHLLUAJAV-LBPRGKRZSA-N 0 1 341.318 4.284 20 30 EIEDMN CCc1nc2ccccc2n1N=Cc1cc(Cl)c(O)cc1Cl ZINC000758099104 1040916627 /nfs/dbraw/zinc/91/66/27/1040916627.db2.gz YSRJZLKGHNHTHS-UHFFFAOYSA-N 0 1 334.206 4.493 20 30 EIEDMN N#CC(C(=O)C1(c2ccc(F)cc2F)CCCC1)c1ccccn1 ZINC000089966720 1040930284 /nfs/dbraw/zinc/93/02/84/1040930284.db2.gz MLIHWKAESNAKNO-AWEZNQCLSA-N 0 1 326.346 4.048 20 30 EIEDMN C[C@@H](N[C@@H](CCC#N)c1ccccc1)c1ccc2c(c1)CCC(=O)N2 ZINC000537946403 1040940161 /nfs/dbraw/zinc/94/01/61/1040940161.db2.gz DDZQMZAFDCOMDR-BEFAXECRSA-N 0 1 333.435 4.267 20 30 EIEDMN CN(C)c1ncc(CNCc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000538002439 1040979931 /nfs/dbraw/zinc/97/99/31/1040979931.db2.gz MTGOZKAMOCBKKE-UHFFFAOYSA-N 0 1 348.475 4.038 20 30 EIEDMN N#Cc1cccc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1F 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C#CCOc1ccc([C@@H](C)N[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000773060491 1049557650 /nfs/dbraw/zinc/55/76/50/1049557650.db2.gz QRRIFVHMAOTTRY-ACJLOTCBSA-N 0 1 327.811 4.136 20 30 EIEDMN CC[C@@H](NCc1ccc(OC)c(C#N)c1)c1cc(Cl)ccc1OC ZINC000773076319 1049570430 /nfs/dbraw/zinc/57/04/30/1049570430.db2.gz LUNPUQJSZHSWOW-QGZVFWFLSA-N 0 1 344.842 4.470 20 30 EIEDMN C#C[C@@H](NCc1cc(Br)cc(C)c1O)c1ccc(F)cc1 ZINC000812792597 1049573204 /nfs/dbraw/zinc/57/32/04/1049573204.db2.gz CKFSQLFNQSHBHA-MRXNPFEDSA-N 0 1 348.215 4.066 20 30 EIEDMN CC(=O)Nc1cc(C(=O)C(C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080459495 1049584689 /nfs/dbraw/zinc/58/46/89/1049584689.db2.gz PXEZXJREXSSNRV-AWEZNQCLSA-N 0 1 341.436 4.023 20 30 EIEDMN CC(=O)Nc1cc(C(=O)[C@H](C#N)c2nc(C(C)C)cs2)ccc1C ZINC000080459495 1049584704 /nfs/dbraw/zinc/58/47/04/1049584704.db2.gz PXEZXJREXSSNRV-AWEZNQCLSA-N 0 1 341.436 4.023 20 30 EIEDMN C#CC[C@H](N[C@@H](C)c1ccc(NC(C)=O)cc1OC)c1ccccc1 ZINC000773115739 1049586999 /nfs/dbraw/zinc/58/69/99/1049586999.db2.gz 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N#Cc1ccc(CNC2(c3ccc(F)cc3)CCOCC2)c(Cl)c1 ZINC000490100522 1038337038 /nfs/dbraw/zinc/33/70/38/1038337038.db2.gz HQFVTQCUFBVEOS-UHFFFAOYSA-N 0 1 344.817 4.146 20 30 EIEDMN CC(C)(C#N)c1ccc(CNCc2cn3cc(Cl)ccc3n2)cc1 ZINC000594494866 1038347430 /nfs/dbraw/zinc/34/74/30/1038347430.db2.gz JNJKHFKFFYVRKS-UHFFFAOYSA-N 0 1 338.842 4.079 20 30 EIEDMN CC(C)(C#N)c1ccc(CN[C@H]2COc3ccc(Cl)cc32)cc1 ZINC000594498422 1038348176 /nfs/dbraw/zinc/34/81/76/1038348176.db2.gz PNYCVKDKNJESJF-KRWDZBQOSA-N 0 1 326.827 4.364 20 30 EIEDMN N#Cc1ccc(C2(NCc3cnc([C@@H]4CCCO4)s3)CCC2)cc1 ZINC000594521928 1038360902 /nfs/dbraw/zinc/36/09/02/1038360902.db2.gz VZFUNJBWEPVALG-KRWDZBQOSA-N 0 1 339.464 4.035 20 30 EIEDMN CCn1nc(CNC2(c3ccc(C#N)cc3)CCC2)c2ccccc21 ZINC000594518501 1038361929 /nfs/dbraw/zinc/36/19/29/1038361929.db2.gz GZVUCJWXNNHKJE-UHFFFAOYSA-N 0 1 330.435 4.097 20 30 EIEDMN C[C@@H](NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000594709837 1038390264 /nfs/dbraw/zinc/39/02/64/1038390264.db2.gz FXCQZQZJCOLJDJ-MLGOLLRUSA-N 0 1 326.362 4.099 20 30 EIEDMN C[C@@H](NC[C@H](OC1CCCC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000594709838 1038391884 /nfs/dbraw/zinc/39/18/84/1038391884.db2.gz FXCQZQZJCOLJDJ-WBMJQRKESA-N 0 1 326.362 4.099 20 30 EIEDMN Cc1nc(C(C)(C)NCc2ccc(C3(C#N)CC3)cc2)sc1C ZINC000594919850 1038424778 /nfs/dbraw/zinc/42/47/78/1038424778.db2.gz CFCLVIPKHDFKQJ-UHFFFAOYSA-N 0 1 325.481 4.340 20 30 EIEDMN CC[C@@](C)(NCc1ccc(C2(C#N)CC2)cc1)c1nc(C)cs1 ZINC000594920838 1038426579 /nfs/dbraw/zinc/42/65/79/1038426579.db2.gz IBFNKTOBIIEYGA-GOSISDBHSA-N 0 1 325.481 4.422 20 30 EIEDMN N#CC1(c2ccc(CNCc3ccccc3OC(F)(F)F)cc2)CC1 ZINC000594917849 1038427367 /nfs/dbraw/zinc/42/73/67/1038427367.db2.gz KUFINGHPUGQDOO-UHFFFAOYSA-N 0 1 346.352 4.430 20 30 EIEDMN NC(=O)c1cc(N=Cc2cc(Cl)cc(Cl)c2O)ccc1Cl ZINC000912962591 1038470211 /nfs/dbraw/zinc/47/02/11/1038470211.db2.gz URDKZQDZLMCSFI-UHFFFAOYSA-N 0 1 343.597 4.202 20 30 EIEDMN COC[C@H](NCc1ccc(C2(C#N)CC2)cc1)c1cccc(Cl)c1 ZINC000594951202 1038514393 /nfs/dbraw/zinc/51/43/93/1038514393.db2.gz BRTAMQWHFACKQY-IBGZPJMESA-N 0 1 340.854 4.372 20 30 EIEDMN Oc1c(Cl)cc(Cl)cc1/C=N/CCOC1CCSCC1 ZINC000899233368 1038887172 /nfs/dbraw/zinc/88/71/72/1038887172.db2.gz GWNFQRVKTRMOBV-RQZCQDPDSA-N 0 1 334.268 4.030 20 30 EIEDMN C[C@@H](Cc1c(Cl)cccc1Cl)NCc1nc(C#N)cs1 ZINC000567576741 1038892990 /nfs/dbraw/zinc/89/29/90/1038892990.db2.gz SKFJJBPFHNORLG-VIFPVBQESA-N 0 1 326.252 4.042 20 30 EIEDMN Cc1cc(F)ccc1C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000156789945 1038969803 /nfs/dbraw/zinc/96/98/03/1038969803.db2.gz RDHAHTINTFMHSD-HNNXBMFYSA-N 0 1 337.379 4.143 20 30 EIEDMN Cc1cc(F)ccc1C(=O)[C@H](C#N)c1nc(-c2ccncc2)cs1 ZINC000156789945 1038969834 /nfs/dbraw/zinc/96/98/34/1038969834.db2.gz RDHAHTINTFMHSD-HNNXBMFYSA-N 0 1 337.379 4.143 20 30 EIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](c2ccccc2)CC1 ZINC000608977661 1038987285 /nfs/dbraw/zinc/98/72/85/1038987285.db2.gz XFFOZBDVOBWHAJ-MJGOQNOKSA-N 0 1 347.462 4.155 20 30 EIEDMN 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/nfs/dbraw/zinc/89/89/60/1046898960.db2.gz HPEKULHWPFEKNV-NJAFHUGGSA-N 0 1 328.456 4.035 20 30 EIEDMN C=CCN(Cc1ccc(OC)cc1)Cn1cnc2cc(C)c(C)cc21 ZINC000917485059 1046907602 /nfs/dbraw/zinc/90/76/02/1046907602.db2.gz KDBZJJJDMXSZPJ-UHFFFAOYSA-N 0 1 335.451 4.307 20 30 EIEDMN CO[C@H](CC/N=C/c1cc(Cl)cc(Cl)c1O)C(F)(F)F ZINC000787141990 1046914962 /nfs/dbraw/zinc/91/49/62/1046914962.db2.gz RFVOKLPGPCCCMP-KNSSQWPOSA-N 0 1 330.133 4.085 20 30 EIEDMN CC(=NNc1nnc(-c2ccccc2)n1C)c1csc(Cl)c1 ZINC000787153154 1046917520 /nfs/dbraw/zinc/91/75/20/1046917520.db2.gz JKEBBRGYSKBJLB-UHFFFAOYSA-N 0 1 331.832 4.033 20 30 EIEDMN CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1cnn(C(C)(C)C)c1C ZINC000787154959 1046921545 /nfs/dbraw/zinc/92/15/45/1046921545.db2.gz MZVJJWHEVXTOIT-UHFFFAOYSA-N 0 1 349.822 4.344 20 30 EIEDMN Clc1ccc(CN2CCC(N=Nc3ncccc3Cl)CC2)cc1 ZINC000917545846 1046955910 /nfs/dbraw/zinc/95/59/10/1046955910.db2.gz BLQDWWVXQKUYPY-UHFFFAOYSA-N 0 1 349.265 4.452 20 30 EIEDMN N#Cc1cnc2c(c1)CC/C(=C\c1cc(Cl)c(O)cc1Cl)C2=O ZINC000788355895 1047171246 /nfs/dbraw/zinc/17/12/46/1047171246.db2.gz RYTULRAKLCFXQD-NYYWCZLTSA-N 0 1 345.185 4.178 20 30 EIEDMN CC(=NNc1cccc(C(F)(F)F)n1)c1ccc(C#N)cc1Cl ZINC000788429206 1047182832 /nfs/dbraw/zinc/18/28/32/1047182832.db2.gz ZOGXWBDQKARSPM-UHFFFAOYSA-N 0 1 338.720 4.462 20 30 EIEDMN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccccc1SC(C)(C)C ZINC000788436608 1047185508 /nfs/dbraw/zinc/18/55/08/1047185508.db2.gz BIUVNXQIPZIKJK-HZPDHXFCSA-N 0 1 344.528 4.161 20 30 EIEDMN C[C@@H](NCc1ccccc1OC(F)(F)F)c1ccc(C#N)c(F)c1 ZINC000537401654 1047194319 /nfs/dbraw/zinc/19/43/19/1047194319.db2.gz ZWCYMRFIPGQHPB-LLVKDONJSA-N 0 1 338.304 4.447 20 30 EIEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1cn2cc(C)ccc2n1 ZINC000789126032 1047375107 /nfs/dbraw/zinc/37/51/07/1047375107.db2.gz AVQPPQIJZFSVGP-MDZDMXLPSA-N 0 1 342.402 4.237 20 30 EIEDMN N#CCCCCCC(=O)Nc1cc(Cl)cc(Br)c1O ZINC000807006898 1047396659 /nfs/dbraw/zinc/39/66/59/1047396659.db2.gz VCESIDOFLRMVJU-UHFFFAOYSA-N 0 1 345.624 4.221 20 30 EIEDMN COC[C@@H](Cc1ccccc1)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000746814981 1047426400 /nfs/dbraw/zinc/42/64/00/1047426400.db2.gz DDBPPIIDOLCSIE-RKQRPNFGSA-N 0 1 338.234 4.376 20 30 EIEDMN C[C@H](C#N)Oc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000154729493 1047455032 /nfs/dbraw/zinc/45/50/32/1047455032.db2.gz WDSGSCYGFHSSHS-SNVBAGLBSA-N 0 1 342.196 4.283 20 30 EIEDMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN=Nc1ncccc1C ZINC000790193247 1047532880 /nfs/dbraw/zinc/53/28/80/1047532880.db2.gz ZSIYDBOOGOZAKP-UHFFFAOYSA-N 0 1 339.830 4.292 20 30 EIEDMN Cc1ccc2c(C)cc(=NN=Cc3cc(F)ncc3F)[nH]c2c1C ZINC000807958031 1047560522 /nfs/dbraw/zinc/56/05/22/1047560522.db2.gz HNSXRWJXEIVKHU-UHFFFAOYSA-N 0 1 326.350 4.279 20 30 EIEDMN Cc1cc(=NN=Cc2cc(F)ncc2F)[nH]c2ccc(Cl)cc12 ZINC000807958214 1047560576 /nfs/dbraw/zinc/56/05/76/1047560576.db2.gz PDXBVEXFGGCXNM-UHFFFAOYSA-N 0 1 332.741 4.316 20 30 EIEDMN C=CCNC(=O)CN(Cc1ccc(-c2ccccc2C)s1)C(C)C ZINC000498560677 1047753295 /nfs/dbraw/zinc/75/32/95/1047753295.db2.gz BBUPJEVEJLCDEG-UHFFFAOYSA-N 0 1 342.508 4.236 20 30 EIEDMN C=C(Cl)CNCc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000763434296 1047808662 /nfs/dbraw/zinc/80/86/62/1047808662.db2.gz VOYOAGLPFLWBQK-UHFFFAOYSA-N 0 1 341.842 4.064 20 30 EIEDMN CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC23CCCC3)cc1 ZINC000747480469 1047866830 /nfs/dbraw/zinc/86/68/30/1047866830.db2.gz TXRJNDJOKHHDDE-MSOLQXFVSA-N 0 1 338.451 4.257 20 30 EIEDMN Cn1nccc1-c1ccccc1C=NNc1c(F)cccc1Cl ZINC000814226579 1047898327 /nfs/dbraw/zinc/89/83/27/1047898327.db2.gz FJOPFTCUVVFGRU-UHFFFAOYSA-N 0 1 328.778 4.326 20 30 EIEDMN C=CCc1cc(CN2CC(C)(C)[C@@H]2c2ccncc2)c(O)c(OC)c1 ZINC000814227112 1047898369 /nfs/dbraw/zinc/89/83/69/1047898369.db2.gz CUNVHOAFOLTGMX-FQEVSTJZSA-N 0 1 338.451 4.107 20 30 EIEDMN CCCCCCCNC(=O)[C@H]1CCCCN1Cc1cccc(C)c1 ZINC001131298514 1047938231 /nfs/dbraw/zinc/93/82/31/1047938231.db2.gz JJZXOXJLHUOFNF-HXUWFJFHSA-N 0 1 330.516 4.436 20 30 EIEDMN CCC(CC)CN(CCC#N)CCC(=O)Nc1ccccc1Cl ZINC000072692886 1048050378 /nfs/dbraw/zinc/05/03/78/1048050378.db2.gz IHVGBBVIZCYNBG-UHFFFAOYSA-N 0 1 335.879 4.320 20 30 EIEDMN CCCCC[C@H](C)NC(=O)CN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000919770964 1048059806 /nfs/dbraw/zinc/05/98/06/1048059806.db2.gz YGVQSXWOSUQSGT-DLBZAZTESA-N 0 1 329.488 4.026 20 30 EIEDMN COc1cc(CN(C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC001143350444 1048110991 /nfs/dbraw/zinc/11/09/91/1048110991.db2.gz KCZUVGNJJIAZNB-UHFFFAOYSA-N 0 1 334.341 4.218 20 30 EIEDMN CC(C)(C)c1cnc(C=NNc2ccc(C(F)(F)F)cn2)s1 ZINC000814711588 1048142442 /nfs/dbraw/zinc/14/24/42/1048142442.db2.gz OEKOLKZMYDIBDB-UHFFFAOYSA-N 0 1 328.363 4.300 20 30 EIEDMN Cc1c(C(C)N=Nc2ccccc2F)nnn1-c1cccc(Cl)c1 ZINC000814790069 1048169013 /nfs/dbraw/zinc/16/90/13/1048169013.db2.gz QICLVMPXNFUDDZ-UHFFFAOYSA-N 0 1 343.793 4.204 20 30 EIEDMN N#C[C@H](C(=O)C1(c2cccnc2)CCCC1)c1nccc2ccccc21 ZINC000809004733 1048183825 /nfs/dbraw/zinc/18/38/25/1048183825.db2.gz YNNRKWYCDODZPM-IBGZPJMESA-N 0 1 341.414 4.318 20 30 EIEDMN c1cnc2c(c1)cccc2CNN=C1CC[C@H]2CNc3cccc1c32 ZINC000814803903 1048189146 /nfs/dbraw/zinc/18/91/46/1048189146.db2.gz PZMKZOVMGJVGEC-HNNXBMFYSA-N 0 1 328.419 4.032 20 30 EIEDMN Fc1ccc(N=NC2COc3cc(OCc4ccccc4)ccc32)nc1 ZINC000814842327 1048201887 /nfs/dbraw/zinc/20/18/87/1048201887.db2.gz CAMONBAZUKUGLF-UHFFFAOYSA-N 0 1 349.365 4.008 20 30 EIEDMN Oc1ccc2c(c1)OC1(CCCCC1)CC2=NNc1cccc(F)n1 ZINC000814927985 1048242439 /nfs/dbraw/zinc/24/24/39/1048242439.db2.gz QGWCNFHAJOVMJS-UHFFFAOYSA-N 0 1 341.386 4.228 20 30 EIEDMN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC000073972910 1048311076 /nfs/dbraw/zinc/31/10/76/1048311076.db2.gz NXFVMVOLWHISPZ-JTQLQIEISA-N 0 1 346.774 4.082 20 30 EIEDMN C#CCOc1cccc(Cl)c1CN1CCC(c2ccncc2)CC1 ZINC000809730380 1048481974 /nfs/dbraw/zinc/48/19/74/1048481974.db2.gz LPUSQYYLWVJTMU-UHFFFAOYSA-N 0 1 340.854 4.127 20 30 EIEDMN Cc1ccc(CN[C@H](c2ccccc2)[C@@H](O)c2ccccc2)cc1C#N ZINC001170795065 1048559611 /nfs/dbraw/zinc/55/96/11/1048559611.db2.gz QNOKVYXAMVJPOY-PKTZIBPZSA-N 0 1 342.442 4.431 20 30 EIEDMN C=CCCCCC[C@@H](C)N[C@H](C)c1ncc(Br)cn1 ZINC000815634806 1048565873 /nfs/dbraw/zinc/56/58/73/1048565873.db2.gz QYPBLRCHPZVVEH-CHWSQXEVSA-N 0 1 326.282 4.415 20 30 EIEDMN C#CCOc1ccccc1CNCc1cc(F)cc(C(F)(F)F)c1 ZINC000772920473 1048628740 /nfs/dbraw/zinc/62/87/40/1048628740.db2.gz FZXONOROKBWNDA-UHFFFAOYSA-N 0 1 337.316 4.146 20 30 EIEDMN N#CC(C(=O)C=C(C1CC1)C1CC1)c1nc(-c2ccncc2)cs1 ZINC000920268190 1048634238 /nfs/dbraw/zinc/63/42/38/1048634238.db2.gz MSTKGHORBPRJPB-INIZCTEOSA-N 0 1 335.432 4.128 20 30 EIEDMN COc1ccccc1CN(CCCSCC#N)Cc1cccs1 ZINC000074981391 1048636703 /nfs/dbraw/zinc/63/67/03/1048636703.db2.gz CPPKCUDIUVXXTB-UHFFFAOYSA-N 0 1 346.521 4.406 20 30 EIEDMN C=C(Cc1ccccc1)C(=O)N1CCC(c2n[nH]c3ccccc32)CC1 ZINC001144395986 1048638455 /nfs/dbraw/zinc/63/84/55/1048638455.db2.gz SBOHWCMUUYHRKR-UHFFFAOYSA-N 0 1 345.446 4.068 20 30 EIEDMN CC(C)(C)c1nc(CN=Nc2ccc(C(F)(F)F)cn2)cs1 ZINC000920363173 1048654400 /nfs/dbraw/zinc/65/44/00/1048654400.db2.gz SYHUKQUDKWDQCV-UHFFFAOYSA-N 0 1 328.363 4.300 20 30 EIEDMN Fc1cc(F)c2c(c1)C(=NNc1ncc(Cl)cc1Cl)CCO2 ZINC000920366580 1048655481 /nfs/dbraw/zinc/65/54/81/1048655481.db2.gz WFTSPNGDIRPUOB-UHFFFAOYSA-N 0 1 344.148 4.265 20 30 EIEDMN N#CC(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1nc2ccccc2n1C(F)F ZINC000845450200 1048669507 /nfs/dbraw/zinc/66/95/07/1048669507.db2.gz GKYHJPFIKNQNAC-RQJABVFESA-N 0 1 341.361 4.210 20 30 EIEDMN COc1nccc2cc(NC(=N)c3ccc4cc(O)ccc4c3)ccc21 ZINC001171183984 1048674537 /nfs/dbraw/zinc/67/45/37/1048674537.db2.gz CFUPCIKULYMREQ-UHFFFAOYSA-N 0 1 343.386 4.139 20 30 EIEDMN COc1ccc(CN[C@H]2CC(C)(C)Oc3ccc(F)cc32)cc1C#N ZINC000846051549 1048806788 /nfs/dbraw/zinc/80/67/88/1048806788.db2.gz FPMWSOCEFRZYRH-KRWDZBQOSA-N 0 1 340.398 4.098 20 30 EIEDMN CCNC(=O)c1cccc(N=Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000920943776 1048817633 /nfs/dbraw/zinc/81/76/33/1048817633.db2.gz HTACQSICUHXQCL-UHFFFAOYSA-N 0 1 337.206 4.199 20 30 EIEDMN N#Cc1ccccc1O[C@@H]1CCCN(Cc2ccc3scnc3c2)C1 ZINC001144743735 1048847811 /nfs/dbraw/zinc/84/78/11/1048847811.db2.gz XORVWXQIXNAYRO-QGZVFWFLSA-N 0 1 349.459 4.211 20 30 EIEDMN Cc1ccc([C@]2(C)CN([C@H](C)Cc3cccc(C#N)c3)CCO2)cc1 ZINC001171222810 1048857284 /nfs/dbraw/zinc/85/72/84/1048857284.db2.gz JIZADZWKYNWPLA-GCJKJVERSA-N 0 1 334.463 4.045 20 30 EIEDMN N#CC1(Nc2ccc3ccoc3c2)CCN(Cc2ccccc2)CC1 ZINC001171276535 1049019647 /nfs/dbraw/zinc/01/96/47/1049019647.db2.gz FGMRILUKBOSJHF-UHFFFAOYSA-N 0 1 331.419 4.403 20 30 EIEDMN Cc1noc2ccc(NC3(C#N)CCN(Cc4ccccc4)CC3)cc12 ZINC001171277801 1049033759 /nfs/dbraw/zinc/03/37/59/1049033759.db2.gz QWQFBKOTEHZKGW-UHFFFAOYSA-N 0 1 346.434 4.107 20 30 EIEDMN C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(Br)c1O ZINC001147172260 1049094105 /nfs/dbraw/zinc/09/41/05/1049094105.db2.gz MWPITRLSYHZQHQ-BXUZGUMPSA-N 0 1 338.245 4.019 20 30 EIEDMN Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CN[C@@H]1CC[C@H](C#N)C1 ZINC000818231128 1049117019 /nfs/dbraw/zinc/11/70/19/1049117019.db2.gz VORUIHGRAOUFLG-GXTWGEPZSA-N 0 1 349.265 4.269 20 30 EIEDMN Cc1ccc2nc(C(=O)Nc3c(C#N)ccc(F)c3F)sc2c1 ZINC001147560596 1049180190 /nfs/dbraw/zinc/18/01/90/1049180190.db2.gz RAAFUYLUMXIXAX-UHFFFAOYSA-N 0 1 329.331 4.007 20 30 EIEDMN Fc1ccc(C(C[C@@H]2CCCO2)=NNc2cc(Cl)ccn2)cc1 ZINC000811646750 1049192922 /nfs/dbraw/zinc/19/29/22/1049192922.db2.gz KLBKSWWSHVNIKI-HNNXBMFYSA-N 0 1 333.794 4.259 20 30 EIEDMN CCc1noc(C)c1[C@H](C)NCc1cccc(O[C@@H](C#N)CC)c1 ZINC000772983537 1049197217 /nfs/dbraw/zinc/19/72/17/1049197217.db2.gz KNSKAKSAURTYIT-XJKSGUPXSA-N 0 1 327.428 4.077 20 30 EIEDMN COc1ccc(C(=O)/C=C/c2ccc(C#N)cc2C(F)(F)F)c(O)c1 ZINC000811690834 1049227377 /nfs/dbraw/zinc/22/73/77/1049227377.db2.gz GLQSFTVJLJZQPF-QPJJXVBHSA-N 0 1 347.292 4.187 20 30 EIEDMN C#CCOc1ccccc1CN[C@@H](C)c1ccc(SC)c(F)c1 ZINC000772986909 1049281624 /nfs/dbraw/zinc/28/16/24/1049281624.db2.gz FSLYBTHVXKHQHH-AWEZNQCLSA-N 0 1 329.440 4.410 20 30 EIEDMN C#CCOc1ccccc1CN[C@@H](C)c1cc(C)ccc1OC(F)F ZINC000772986907 1049282281 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IPGRWDFMSUKHIX-QGZVFWFLSA-N 0 1 345.443 4.026 20 30 EIEDMN CC(C)c1ccc([C@@H]2CCCN2CC(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000534729808 1039741123 /nfs/dbraw/zinc/74/11/23/1039741123.db2.gz VCSUKOKEZPVAJZ-PZJWPPBQSA-N 0 1 341.499 4.001 20 30 EIEDMN N#CCCn1cc(CN2CC[C@H]2c2ccccc2)c(-c2ccccc2)n1 ZINC000434986187 1039981448 /nfs/dbraw/zinc/98/14/48/1039981448.db2.gz NDYUBXWLBJBMOL-NRFANRHFSA-N 0 1 342.446 4.411 20 30 EIEDMN N#Cc1cccc(C2(NCc3ccc(F)c(Br)c3)CC2)c1 ZINC000551227072 1040069417 /nfs/dbraw/zinc/06/94/17/1040069417.db2.gz GRWUESQCWMIHAD-UHFFFAOYSA-N 0 1 345.215 4.239 20 30 EIEDMN Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)sc1C ZINC000097334939 1040123022 /nfs/dbraw/zinc/12/30/22/1040123022.db2.gz VVPMNYLAQKQAEK-UHFFFAOYSA-N 0 1 332.816 4.440 20 30 EIEDMN CCC(CC)n1nccc1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000153549415 1040177381 /nfs/dbraw/zinc/17/73/81/1040177381.db2.gz AMZAHOSEZJHORX-CYBMUJFWSA-N 0 1 330.457 4.314 20 30 EIEDMN N#Cc1ccccc1OCCN1CCc2cc(-c3ccccc3)oc2C1 ZINC001167958839 1040335330 /nfs/dbraw/zinc/33/53/30/1040335330.db2.gz KXQKQFMZQUWIRH-UHFFFAOYSA-N 0 1 344.414 4.255 20 30 EIEDMN Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)c1ccc(C#N)cc1 ZINC000192755527 1040497799 /nfs/dbraw/zinc/49/77/99/1040497799.db2.gz PHMONSXDCYVGBE-OAHLLOKOSA-N 0 1 330.435 4.212 20 30 EIEDMN C[C@H](Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000539689238 1040701867 /nfs/dbraw/zinc/70/18/67/1040701867.db2.gz NGYUXZLHKGRICK-KURKYZTESA-N 0 1 349.478 4.341 20 30 EIEDMN CCOc1c(F)cccc1C(=O)C(C#N)c1nccc2ccccc21 ZINC000483216428 1040770374 /nfs/dbraw/zinc/77/03/74/1040770374.db2.gz VHZFBTMOQHEALW-MRXNPFEDSA-N 0 1 334.350 4.263 20 30 EIEDMN CN(Cc1ccc(F)cc1Br)CC(C)(C)CCC#N ZINC000483421549 1040847101 /nfs/dbraw/zinc/84/71/01/1040847101.db2.gz URMXLOBKBRCUFH-UHFFFAOYSA-N 0 1 327.241 4.350 20 30 EIEDMN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000554243615 1040913019 /nfs/dbraw/zinc/91/30/19/1040913019.db2.gz OYXMUZHLLUAJAV-GFCCVEGCSA-N 0 1 341.318 4.284 20 30 EIEDMN CCSCC[C@@H](C)N(C)Cc1ccc(Br)cc1C#N ZINC000554243615 1040913027 /nfs/dbraw/zinc/91/30/27/1040913027.db2.gz OYXMUZHLLUAJAV-GFCCVEGCSA-N 0 1 341.318 4.284 20 30 EIEDMN CC[C@@H](NCc1ccc(C#N)cn1)c1cc(F)cc(Br)c1 ZINC000554364915 1041040934 /nfs/dbraw/zinc/04/09/34/1041040934.db2.gz SRKSMBGQYOVJMJ-MRXNPFEDSA-N 0 1 348.219 4.096 20 30 EIEDMN N#CC(C(=O)C=Cc1cccs1)c1nc(-c2ccncc2)cs1 ZINC000128845051 1041050851 /nfs/dbraw/zinc/05/08/51/1041050851.db2.gz AALSRTYHZGOFOA-XGACYXMMSA-N 0 1 337.429 4.156 20 30 EIEDMN C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccsc1)N(C)C ZINC000483876936 1041064723 /nfs/dbraw/zinc/06/47/23/1041064723.db2.gz PAHAMPBZSZQLDK-SFHVURJKSA-N 0 1 349.544 4.129 20 30 EIEDMN CC(C)Oc1ccc(C(C)N=Nc2cncc(Br)c2)cc1 ZINC000758120663 1041072203 /nfs/dbraw/zinc/07/22/03/1041072203.db2.gz UQCBYHUFUSKRHM-UHFFFAOYSA-N 0 1 348.244 4.467 20 30 EIEDMN Cc1c(COC(C)(C)C)cccc1NC(=O)c1ccc(C#N)c(O)c1 ZINC000443267583 1041073437 /nfs/dbraw/zinc/07/34/37/1041073437.db2.gz DRSKNJUKXYQLTP-UHFFFAOYSA-N 0 1 338.407 4.140 20 30 EIEDMN N#CC(C(=O)NC1CCCCC1)c1nc2cc(Cl)ccc2s1 ZINC000161410418 1041207064 /nfs/dbraw/zinc/20/70/64/1041207064.db2.gz MPYREXHWQVCURN-LBPRGKRZSA-N 0 1 333.844 4.006 20 30 EIEDMN Cc1ccc(CNCc2cc(C#N)n(C)c2)c(O[C@H](C)CC(C)C)c1 ZINC000480353918 1041237098 /nfs/dbraw/zinc/23/70/98/1041237098.db2.gz MSUILWLXBUROSK-QGZVFWFLSA-N 0 1 339.483 4.308 20 30 EIEDMN COc1ccc([C@H](NCc2cc(C#N)n(C)c2)c2ccc(C)cc2)cc1 ZINC000480358202 1041242183 /nfs/dbraw/zinc/24/21/83/1041242183.db2.gz PZNHIKTZFDVYHR-JOCHJYFZSA-N 0 1 345.446 4.093 20 30 EIEDMN N#CC1(c2ccccn2)CCN(C/C=C\c2ccc(Cl)cc2)CC1 ZINC000554559769 1041243838 /nfs/dbraw/zinc/24/38/38/1041243838.db2.gz FHMYQMKGVIXTFC-ARJAWSKDSA-N 0 1 337.854 4.306 20 30 EIEDMN C=CCN(CC(=O)Nc1cc(C)ccc1OC)CC1CCCCC1 ZINC000484485529 1041256869 /nfs/dbraw/zinc/25/68/69/1041256869.db2.gz ILYFUXFBYMDSRZ-UHFFFAOYSA-N 0 1 330.472 4.010 20 30 EIEDMN N#Cc1ccccc1Cn1cccc1CNc1cc2c(cn1)CCCC2 ZINC000461213533 1041292455 /nfs/dbraw/zinc/29/24/55/1041292455.db2.gz PLXFDZHNAKVMEH-UHFFFAOYSA-N 0 1 342.446 4.294 20 30 EIEDMN CCC(=O)c1ccc(O)c(NC(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000436650269 1041393278 /nfs/dbraw/zinc/39/32/78/1041393278.db2.gz YLDQHBQURHJRHI-OAHLLOKOSA-N 0 1 336.391 4.011 20 30 EIEDMN CCOc1ccc([C@H](C)NCC#Cc2ccc(Cl)cc2)cc1OC ZINC000540367076 1041417704 /nfs/dbraw/zinc/41/77/04/1041417704.db2.gz RFFDZMMOYOQTIN-HNNXBMFYSA-N 0 1 343.854 4.450 20 30 EIEDMN COc1cc(C)c([C@H](C)NCC#Cc2cccc(Cl)c2)cc1OC ZINC000540390803 1041423473 /nfs/dbraw/zinc/42/34/73/1041423473.db2.gz UTRXFWRIFXTJDA-HNNXBMFYSA-N 0 1 343.854 4.368 20 30 EIEDMN N#Cc1cc(Cl)ccc1CN1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463211395 1041424240 /nfs/dbraw/zinc/42/42/40/1041424240.db2.gz PUBFPFVXHKMXFS-OTWHNJEPSA-N 0 1 332.875 4.117 20 30 EIEDMN CCOc1cccc(CNCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000538610408 1041448473 /nfs/dbraw/zinc/44/84/73/1041448473.db2.gz YYZWZDAKWIFURK-UHFFFAOYSA-N 0 1 343.430 4.309 20 30 EIEDMN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000554848899 1041453713 /nfs/dbraw/zinc/45/37/13/1041453713.db2.gz RYGTVIGVUXCNRG-KGLIPLIRSA-N 0 1 341.842 4.198 20 30 EIEDMN CN(Cc1ccc(N(C)c2ccccc2)nc1)Cc1cccc(C#N)c1 ZINC000437147540 1041674178 /nfs/dbraw/zinc/67/41/78/1041674178.db2.gz UOSLFMYXAXLESG-UHFFFAOYSA-N 0 1 342.446 4.353 20 30 EIEDMN N#Cc1ccc(CN(Cc2ccccc2)C2CC2)c(OC(F)F)c1 ZINC000437437761 1041806032 /nfs/dbraw/zinc/80/60/32/1041806032.db2.gz XQZVEXJKTACBIY-UHFFFAOYSA-N 0 1 328.362 4.324 20 30 EIEDMN N#Cc1ccc(CN2CCC(OCC3CCCCC3)CC2)cc1F ZINC000517005294 1041835918 /nfs/dbraw/zinc/83/59/18/1041835918.db2.gz KYDMKCGGVBOQPB-UHFFFAOYSA-N 0 1 330.447 4.259 20 30 EIEDMN CC(C)(C)OC(=O)CCCCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000541348524 1041899094 /nfs/dbraw/zinc/89/90/94/1041899094.db2.gz QIBVSGZNJZAJIH-MOPGFXCFSA-N 0 1 342.483 4.270 20 30 EIEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCCOCc1ccccc1 ZINC000541576667 1042023829 /nfs/dbraw/zinc/02/38/29/1042023829.db2.gz PRWYTNFMXOGJBG-VXKWHMMOSA-N 0 1 334.463 4.365 20 30 EIEDMN COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](C#N)CCC#N)cc1 ZINC000517558206 1042073476 /nfs/dbraw/zinc/07/34/76/1042073476.db2.gz GMLHORBZLQIRAL-WIYYLYMNSA-N 0 1 333.435 4.012 20 30 EIEDMN CC[C@@]1(C)CCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000464771316 1042149394 /nfs/dbraw/zinc/14/93/94/1042149394.db2.gz DDNZJWAAPDJTLZ-NRFANRHFSA-N 0 1 341.499 4.062 20 30 EIEDMN CCc1cnccc1[C@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000542122415 1042292736 /nfs/dbraw/zinc/29/27/36/1042292736.db2.gz CHQBLBUDHSBKBC-AWEZNQCLSA-N 0 1 332.369 4.365 20 30 EIEDMN CCc1cnccc1[C@H](C)NCC#Cc1ccc(OC(F)(F)F)cc1 ZINC000542124495 1042294057 /nfs/dbraw/zinc/29/40/57/1042294057.db2.gz CIYODDVPHKQVTP-AWEZNQCLSA-N 0 1 348.368 4.245 20 30 EIEDMN N#Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)c(C(F)(F)F)c1 ZINC000518020141 1042315056 /nfs/dbraw/zinc/31/50/56/1042315056.db2.gz RNGSOWBKTDHMSQ-HZPDHXFCSA-N 0 1 340.414 4.437 20 30 EIEDMN C#C[C@@H](NCc1cc(-n2ccnc2)cs1)c1ccc(Cl)cc1 ZINC000491775963 1042500744 /nfs/dbraw/zinc/50/07/44/1042500744.db2.gz DTCGTHHDKJZUJT-QGZVFWFLSA-N 0 1 327.840 4.051 20 30 EIEDMN N#Cc1ccc(CN[C@H](c2ccccc2)[C@H]2CCOC2)c(Cl)c1 ZINC000439443854 1042627552 /nfs/dbraw/zinc/62/75/52/1042627552.db2.gz ARZDVZXXOFPZPT-PKOBYXMFSA-N 0 1 326.827 4.079 20 30 EIEDMN CC[C@H](C)OCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000152402098 1042794101 /nfs/dbraw/zinc/79/41/01/1042794101.db2.gz GBLMAPUGWCWFQE-FZMZJTMJSA-N 0 1 348.855 4.455 20 30 EIEDMN CC[C@H](C)OCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000152401907 1042794527 /nfs/dbraw/zinc/79/45/27/1042794527.db2.gz GBLMAPUGWCWFQE-SMDDNHRTSA-N 0 1 348.855 4.455 20 30 EIEDMN CCN1CCCC[C@@H]1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000609167808 1043020653 /nfs/dbraw/zinc/02/06/53/1043020653.db2.gz XIRBYCHIMWLSHY-HXUWFJFHSA-N 0 1 349.434 4.163 20 30 EIEDMN Cn1cccc1C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000073977454 1043096597 /nfs/dbraw/zinc/09/65/97/1043096597.db2.gz BFENUKURVPTWGQ-SNVBAGLBSA-N 0 1 349.337 4.144 20 30 EIEDMN CCn1nc(C)c(C(=O)/C=C\c2cc(Cl)c(O)cc2Cl)c1C ZINC000759075137 1043109356 /nfs/dbraw/zinc/10/93/56/1043109356.db2.gz FTXPVJATOZUVJM-WAYWQWQTSA-N 0 1 339.222 4.428 20 30 EIEDMN Cc1ccc(NN=C2CCCOc3ccc(Br)cc32)nc1 ZINC000727260115 1043176161 /nfs/dbraw/zinc/17/61/61/1043176161.db2.gz QGLVJLXNMFGHGF-UHFFFAOYSA-N 0 1 346.228 4.141 20 30 EIEDMN CCC(=NNc1ccc(C)cn1)c1cc(Br)ccc1O ZINC000727260113 1043176674 /nfs/dbraw/zinc/17/66/74/1043176674.db2.gz QFLPCPARKXLZBB-UHFFFAOYSA-N 0 1 334.217 4.084 20 30 EIEDMN C=C(C)C[C@@H](C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000185495511 1043191776 /nfs/dbraw/zinc/19/17/76/1043191776.db2.gz DAFJFGGTGFCSHV-MRXNPFEDSA-N 0 1 348.918 4.271 20 30 EIEDMN C=CCOCCCC(=O)Nc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC000427789518 1043202943 /nfs/dbraw/zinc/20/29/43/1043202943.db2.gz OPXGQBOUSMYXCO-UHFFFAOYSA-N 0 1 335.407 4.151 20 30 EIEDMN N#CCc1cc(NCCC(c2ccccc2)c2ccccc2)ccn1 ZINC001168749094 1043209550 /nfs/dbraw/zinc/20/95/50/1043209550.db2.gz UDNMRCWJUULWCX-UHFFFAOYSA-N 0 1 327.431 4.204 20 30 EIEDMN C=C(C)[C@H](NCc1ccc(NC(C)=O)cc1)c1ccc(F)c(F)c1 ZINC000187372379 1043344492 /nfs/dbraw/zinc/34/44/92/1043344492.db2.gz OKYZXDPIWBPNKJ-IBGZPJMESA-N 0 1 330.378 4.330 20 30 EIEDMN C=C(C)[C@@H](NCc1cccc(OCCOC)c1)c1ccc(F)c(F)c1 ZINC000187372703 1043346501 /nfs/dbraw/zinc/34/65/01/1043346501.db2.gz SEAKODWFIYINOD-HXUWFJFHSA-N 0 1 347.405 4.397 20 30 EIEDMN C=C(C)CNC(=S)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000729942338 1043410712 /nfs/dbraw/zinc/41/07/12/1043410712.db2.gz KLBHKSVVQDPLPO-UHFFFAOYSA-N 0 1 340.427 4.232 20 30 EIEDMN Cc1csc(C(C#N)C(=O)c2ccncc2Oc2ccccc2)n1 ZINC000442020912 1043462204 /nfs/dbraw/zinc/46/22/04/1043462204.db2.gz GTEMCNLQZFNNAO-HNNXBMFYSA-N 0 1 335.388 4.129 20 30 EIEDMN Cc1nc(Cl)cc(NN=Cc2cnc(-c3cccs3)s2)n1 ZINC000751530586 1043509587 /nfs/dbraw/zinc/50/95/87/1043509587.db2.gz ZMJZHQUTNUOCFZ-UHFFFAOYSA-N 0 1 335.845 4.069 20 30 EIEDMN N#CC(C(=O)C=Cc1ccsc1)c1nc2cc(F)ccc2s1 ZINC000730422445 1043513125 /nfs/dbraw/zinc/51/31/25/1043513125.db2.gz YCLFCJYNJBWQNF-BIVBXWGWSA-N 0 1 328.393 4.387 20 30 EIEDMN 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CO[C@H](C(=O)C(C#N)c1nc2ccccc2s1)C1CCCCC1 ZINC000850739221 1053345404 /nfs/dbraw/zinc/34/54/04/1053345404.db2.gz JGAWWZJRHXVOJB-DYVFJYSZSA-N 0 1 328.437 4.068 20 30 EIEDMN CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(F)s2)cc1 ZINC000850760637 1053348443 /nfs/dbraw/zinc/34/84/43/1053348443.db2.gz AYNFMWXCAHMJAJ-FZMZJTMJSA-N 0 1 344.411 4.362 20 30 EIEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)c2ccc(F)s2)cc1 ZINC000850760637 1053348461 /nfs/dbraw/zinc/34/84/61/1053348461.db2.gz AYNFMWXCAHMJAJ-FZMZJTMJSA-N 0 1 344.411 4.362 20 30 EIEDMN CO[C@@H](C(=O)C(C#N)c1nc2cc(Cl)ccc2s1)C1CCCC1 ZINC000850771122 1053354259 /nfs/dbraw/zinc/35/42/59/1053354259.db2.gz IBYBWONLNYSFFC-BLLLJJGKSA-N 0 1 348.855 4.331 20 30 EIEDMN CO[C@@H](C(=O)C(C#N)c1nc2cc(F)ccc2s1)C1CCCCC1 ZINC000850829710 1053370795 /nfs/dbraw/zinc/37/07/95/1053370795.db2.gz RSBNQHWKWHDELN-SUMWQHHRSA-N 0 1 346.427 4.207 20 30 EIEDMN N#CC(C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21)c1cc(C(F)(F)F)ccn1 ZINC000851037896 1053407482 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CC(=NNc1ncnc(Cl)c1C(C)C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000797404200 1053627596 /nfs/dbraw/zinc/62/75/96/1053627596.db2.gz ICFCXTKXVGYTGP-UHFFFAOYSA-N 0 1 347.806 4.306 20 30 EIEDMN CCCCC[C@@H]1CCCCN1Cc1cccc(C(=O)OC)c1C#N ZINC001196328682 1053640449 /nfs/dbraw/zinc/64/04/49/1053640449.db2.gz FZXAQXCCQCXPFQ-QGZVFWFLSA-N 0 1 328.456 4.280 20 30 EIEDMN Clc1ccc(CSc2nncn2N=C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000853280064 1053661898 /nfs/dbraw/zinc/66/18/98/1053661898.db2.gz CIXLXZDWBHRVBS-BTTYYORXSA-N 0 1 332.860 4.104 20 30 EIEDMN N#Cc1ccc(F)c(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000121803530 1053849652 /nfs/dbraw/zinc/84/96/52/1053849652.db2.gz ATMTXDCDIFNJMQ-MJGOQNOKSA-N 0 1 342.414 4.159 20 30 EIEDMN C[C@H](C#N)OCCN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000801939821 1053855284 /nfs/dbraw/zinc/85/52/84/1053855284.db2.gz WBKANRBKMDKKND-GFCCVEGCSA-N 0 1 325.239 4.011 20 30 EIEDMN Fc1cccc(NN=C(Cc2ccccn2)c2ccc(Cl)cc2)n1 ZINC000795009660 1053894480 /nfs/dbraw/zinc/89/44/80/1053894480.db2.gz HFVHMJGWXZXYNN-UHFFFAOYSA-N 0 1 340.789 4.328 20 30 EIEDMN CC[C@](O)(CN[C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000930207482 1053932362 /nfs/dbraw/zinc/93/23/62/1053932362.db2.gz ORCHHXPZPQHTLE-RYUDHWBXSA-N 0 1 347.274 4.112 20 30 EIEDMN C[C@H](NCc1cc(Cl)ccc1OCC#N)c1ccc([N+](=O)[O-])cc1 ZINC001197660660 1053961212 /nfs/dbraw/zinc/96/12/12/1053961212.db2.gz PSHFSXIPYGYGAG-LBPRGKRZSA-N 0 1 345.786 4.001 20 30 EIEDMN N#Cc1cccc(NC(=S)Nc2cc(Cl)c(O)cc2Cl)c1 ZINC001197714692 1053978425 /nfs/dbraw/zinc/97/84/25/1053978425.db2.gz IGAIECUFQBZION-UHFFFAOYSA-N 0 1 338.219 4.380 20 30 EIEDMN N#Cc1ccc(CN2CCC[C@@H](Cc3nccs3)C2)c(Cl)c1 ZINC001197921516 1054022796 /nfs/dbraw/zinc/02/27/96/1054022796.db2.gz VOLGKFDRLVRQGY-AWEZNQCLSA-N 0 1 331.872 4.123 20 30 EIEDMN CC[C@H](C#N)Oc1cccc(CNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000795094900 1054036277 /nfs/dbraw/zinc/03/62/77/1054036277.db2.gz BIKYLLLOGKAROB-OAHLLOKOSA-N 0 1 333.391 4.233 20 30 EIEDMN CCOC(C)(C)C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000870150051 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C[C@H](NCc1csc(Br)c1)c1ccc(C#N)c(F)c1 ZINC000538508533 1041396694 /nfs/dbraw/zinc/39/66/94/1041396694.db2.gz RJHFLOCZVCEIPS-VIFPVBQESA-N 0 1 339.233 4.372 20 30 EIEDMN CCCOc1ccc(O[C@H]2CCCC[C@H]2NCC2(C#N)CC2)cc1 ZINC000484628219 1041378144 /nfs/dbraw/zinc/37/81/44/1041378144.db2.gz MKKPRUOBGQMUSH-MOPGFXCFSA-N 0 1 328.456 4.059 20 30 EIEDMN C=CCN(Cc1nc(-c2ccc(F)cc2)no1)CC1CCCCC1 ZINC000484629753 1041378291 /nfs/dbraw/zinc/37/82/91/1041378291.db2.gz LPBZZGHOBRBQJJ-UHFFFAOYSA-N 0 1 329.419 4.444 20 30 EIEDMN C=CCN(CCOC)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000484665003 1041394300 /nfs/dbraw/zinc/39/43/00/1041394300.db2.gz RINMOSPLRDMPOW-KRWDZBQOSA-N 0 1 338.451 4.134 20 30 EIEDMN COc1cc(C)c([C@@H](C)NCC#Cc2cccc(Cl)c2)cc1OC ZINC000540390805 1041424132 /nfs/dbraw/zinc/42/41/32/1041424132.db2.gz UTRXFWRIFXTJDA-OAHLLOKOSA-N 0 1 343.854 4.368 20 30 EIEDMN N#C[C@@H]1CCC[C@H](N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)C1 ZINC000463243228 1041449459 /nfs/dbraw/zinc/44/94/59/1041449459.db2.gz 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/nfs/dbraw/zinc/70/98/02/1041709802.db2.gz OEUSUTQLOIRUAD-QGZVFWFLSA-N 0 1 341.252 4.406 20 30 EIEDMN C=CCN(Cc1cccs1)Cc1c[nH]nc1-c1ccccc1F ZINC000506022476 1041745307 /nfs/dbraw/zinc/74/53/07/1041745307.db2.gz UREKIZUBKPRYKH-UHFFFAOYSA-N 0 1 327.428 4.466 20 30 EIEDMN C[C@H](CNc1cccc(Cl)c1C#N)N1CCc2sccc2C1 ZINC000506052291 1041807933 /nfs/dbraw/zinc/80/79/33/1041807933.db2.gz SLRMANFJYZVMKO-GFCCVEGCSA-N 0 1 331.872 4.132 20 30 EIEDMN CC(C)(C)OC(=O)CCCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000541348531 1041899467 /nfs/dbraw/zinc/89/94/67/1041899467.db2.gz QIBVSGZNJZAJIH-RBUKOAKNSA-N 0 1 342.483 4.270 20 30 EIEDMN N#Cc1ccc(CN[C@@H](COc2ccccc2)c2ccccc2)cc1 ZINC000517559106 1042073066 /nfs/dbraw/zinc/07/30/66/1042073066.db2.gz ROONATLJPNCRQF-QFIPXVFZSA-N 0 1 328.415 4.468 20 30 EIEDMN CC[C@]1(C)CCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000464771317 1042149726 /nfs/dbraw/zinc/14/97/26/1042149726.db2.gz DDNZJWAAPDJTLZ-OAQYLSRUSA-N 0 1 341.499 4.062 20 30 EIEDMN COc1ccc(CN[C@@H](C)c2ccccc2OC(F)F)cc1C#N ZINC000266188221 1042298875 /nfs/dbraw/zinc/29/88/75/1042298875.db2.gz IAZJJWAQYPSMKF-LBPRGKRZSA-N 0 1 332.350 4.019 20 30 EIEDMN N#CCc1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)cc1 ZINC000542211916 1042339017 /nfs/dbraw/zinc/33/90/17/1042339017.db2.gz XMNZCLVFWUELKZ-QGZVFWFLSA-N 0 1 326.827 4.059 20 30 EIEDMN CCCCc1nc2ccc(NC(=O)c3ccc(C#N)cc3C)cc2[nH]1 ZINC000438935700 1042426191 /nfs/dbraw/zinc/42/61/91/1042426191.db2.gz VVQGADPRUUIDJR-UHFFFAOYSA-N 0 1 332.407 4.338 20 30 EIEDMN CCC(CC)CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000151613449 1042443352 /nfs/dbraw/zinc/44/33/52/1042443352.db2.gz WHQZTILOPANFMO-GFCCVEGCSA-N 0 1 341.238 4.467 20 30 EIEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H]1OCCc2sccc21 ZINC000426313626 1042549945 /nfs/dbraw/zinc/54/99/45/1042549945.db2.gz NJMYIJDFNHWHOO-VNBZBWLYSA-N 0 1 330.428 4.112 20 30 EIEDMN N#Cc1ccc(CN2CCC(CCCn3ccnc3)CC2)c(Cl)c1 ZINC000439423653 1042616061 /nfs/dbraw/zinc/61/60/61/1042616061.db2.gz PVXJDHCFPOUNSJ-UHFFFAOYSA-N 0 1 342.874 4.101 20 30 EIEDMN C=CCCCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000175594507 1042767907 /nfs/dbraw/zinc/76/79/07/1042767907.db2.gz ORJIUILBUQFYQW-UHFFFAOYSA-N 0 1 334.891 4.025 20 30 EIEDMN CC[C@@H](C)OCC(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000152401998 1042794166 /nfs/dbraw/zinc/79/41/66/1042794166.db2.gz GBLMAPUGWCWFQE-RISCZKNCSA-N 0 1 348.855 4.455 20 30 EIEDMN N#CC(C(=O)c1cccc([C@@H]2CCOC2)c1)c1nc2ccccc2s1 ZINC000536441025 1042869770 /nfs/dbraw/zinc/86/97/70/1042869770.db2.gz BILADSFHJRQTCN-CVEARBPZSA-N 0 1 348.427 4.290 20 30 EIEDMN C=CCc1cc(CNCc2cnc(C3CC3)s2)cc(OC)c1OC ZINC000134288409 1042887283 /nfs/dbraw/zinc/88/72/83/1042887283.db2.gz VTYNIEXYPOZFJR-UHFFFAOYSA-N 0 1 344.480 4.056 20 30 EIEDMN O=C(Cc1cccc(F)c1F)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000087368141 1042897672 /nfs/dbraw/zinc/89/76/72/1042897672.db2.gz BUQWIPLPQFNAHP-UHFFFAOYSA-N 0 1 348.740 4.234 20 30 EIEDMN CCCOc1c(CNCc2ccc(CC#N)cc2)cccc1OCC ZINC000520580818 1042901810 /nfs/dbraw/zinc/90/18/10/1042901810.db2.gz OLTIFZGZTRQURL-UHFFFAOYSA-N 0 1 338.451 4.230 20 30 EIEDMN C=CCCCN(C)Cc1csc(-c2ccc(OC)cc2OC)n1 ZINC000076737478 1043142165 /nfs/dbraw/zinc/14/21/65/1043142165.db2.gz LLYVAGPBACAOLS-UHFFFAOYSA-N 0 1 332.469 4.225 20 30 EIEDMN Cc1ccc(OCc2nc(C=N[N-]c3ccc(C)c[nH+]3)cs2)cc1 ZINC000727259477 1043175726 /nfs/dbraw/zinc/17/57/26/1043175726.db2.gz GIAOKSLTAQTQHD-UHFFFAOYSA-N 0 1 338.436 4.180 20 30 EIEDMN Clc1cccc2c1CCC2=NNc1ccc(Br)cn1 ZINC000727262986 1043178392 /nfs/dbraw/zinc/17/83/92/1043178392.db2.gz HOIKKRDZGGTLIY-UHFFFAOYSA-N 0 1 336.620 4.260 20 30 EIEDMN C=C(C)C[C@H](C)C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000185495488 1043191417 /nfs/dbraw/zinc/19/14/17/1043191417.db2.gz DAFJFGGTGFCSHV-INIZCTEOSA-N 0 1 348.918 4.271 20 30 EIEDMN COc1ccccc1C[C@H](C)N(C)Cc1ccc(C#N)cc1Cl ZINC000323087209 1043289193 /nfs/dbraw/zinc/28/91/93/1043289193.db2.gz IMLFKVYHSDWTDY-AWEZNQCLSA-N 0 1 328.843 4.283 20 30 EIEDMN C=C[C@H]1CCCCN1C(=O)c1cccc2[nH]c(-c3cccs3)nc21 ZINC000428040104 1043300687 /nfs/dbraw/zinc/30/06/87/1043300687.db2.gz IEYRHXKSTNTSHK-ZDUSSCGKSA-N 0 1 337.448 4.472 20 30 EIEDMN CCOc1ccc2c(c1)[C@H](NCc1c(C)cc(C#N)cc1C)CCO2 ZINC000922013035 1043303951 /nfs/dbraw/zinc/30/39/51/1043303951.db2.gz OPKWVKJOZGMMKA-HXUWFJFHSA-N 0 1 336.435 4.187 20 30 EIEDMN Cc1csc(C(C#N)C(=O)c2ccc(-c3csc(C)n3)cc2)n1 ZINC000442032032 1043466775 /nfs/dbraw/zinc/46/67/75/1043466775.db2.gz PJUBEKBIFZIUGR-CQSZACIVSA-N 0 1 339.445 4.374 20 30 EIEDMN N#Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000494505722 1043505581 /nfs/dbraw/zinc/50/55/81/1043505581.db2.gz PFCNXSCGAHDNQI-MSOLQXFVSA-N 0 1 347.245 4.485 20 30 EIEDMN O=[N+]([O-])c1ccc(NN=C(CC2CCCCC2)c2ncccn2)cc1 ZINC000733902094 1043645456 /nfs/dbraw/zinc/64/54/56/1043645456.db2.gz LJQMHIYPHZCRGT-UHFFFAOYSA-N 0 1 339.399 4.171 20 30 EIEDMN CCCCCCOCC(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000730923911 1043649342 /nfs/dbraw/zinc/64/93/42/1043649342.db2.gz HMPUQUDNFMVOTF-ZDUSSCGKSA-N 0 1 334.416 4.209 20 30 EIEDMN CC(=NNc1nc2ccccc2n1C)c1ccccc1OC(F)(F)F ZINC000730947993 1043657403 /nfs/dbraw/zinc/65/74/03/1043657403.db2.gz SFWLMMTWUUYOBS-UHFFFAOYSA-N 0 1 348.328 4.308 20 30 EIEDMN Cc1nc2c(s1)C(=NNc1ccc(C(F)(F)F)cn1)CCC2 ZINC000730946225 1043657708 /nfs/dbraw/zinc/65/77/08/1043657708.db2.gz MEDMWJQORCCKPB-UHFFFAOYSA-N 0 1 326.347 4.018 20 30 EIEDMN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CN=Nc1ccc(F)cn1 ZINC000731319074 1043738433 /nfs/dbraw/zinc/73/84/33/1043738433.db2.gz RGYJQNPUXVGBBD-UHFFFAOYSA-N 0 1 343.793 4.123 20 30 EIEDMN N#Cc1ccc(CN2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000039307003 1043745882 /nfs/dbraw/zinc/74/58/82/1043745882.db2.gz LGCYMVPYGCZZOI-UHFFFAOYSA-N 0 1 326.827 4.255 20 30 EIEDMN CCCOc1c(Cl)cc(C=NNc2cc(C)ncn2)cc1OCC ZINC000731934873 1043850704 /nfs/dbraw/zinc/85/07/04/1043850704.db2.gz KLTNJCZOQHGXSY-UHFFFAOYSA-N 0 1 348.834 4.072 20 30 EIEDMN Cc1cc(=NN=Cc2ccc(-c3nc4ccccc4s3)o2)nc[nH]1 ZINC000731935758 1043851304 /nfs/dbraw/zinc/85/13/04/1043851304.db2.gz PZJIBRWUIARYOC-UHFFFAOYSA-N 0 1 335.392 4.101 20 30 EIEDMN C[C@@H](Nc1ncc(C#N)cc1Cl)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568823 1043961500 /nfs/dbraw/zinc/96/15/00/1043961500.db2.gz MZAJSYTXLUGUMN-MRVPVSSYSA-N 0 1 332.194 4.309 20 30 EIEDMN CCSc1ccccc1C(O)=C(C#N)c1nc2ccccc2n1C ZINC000642280956 1043992953 /nfs/dbraw/zinc/99/29/53/1043992953.db2.gz OZDGSIZQBTYMSH-CQSZACIVSA-N 0 1 335.432 4.175 20 30 EIEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C(F)F)c(C)o1 ZINC000193285338 1044035618 /nfs/dbraw/zinc/03/56/18/1044035618.db2.gz JMRZBVKQCWPFPV-LBPRGKRZSA-N 0 1 329.306 4.131 20 30 EIEDMN Cc1cc(C(=O)C(C#N)c2nc3ccccc3n2C(F)F)c(C)o1 ZINC000193285338 1044035638 /nfs/dbraw/zinc/03/56/38/1044035638.db2.gz JMRZBVKQCWPFPV-LBPRGKRZSA-N 0 1 329.306 4.131 20 30 EIEDMN C[C@@H](NCc1cc(Br)ccc1F)c1cccc(C#N)c1 ZINC000041069340 1044183169 /nfs/dbraw/zinc/18/31/69/1044183169.db2.gz VJEWLEDLJCWZED-LLVKDONJSA-N 0 1 333.204 4.311 20 30 EIEDMN C[C@@H](NCC#Cc1ccc(F)cc1)c1ccc(Br)s1 ZINC000443318373 1044184336 /nfs/dbraw/zinc/18/43/36/1044184336.db2.gz JTGHOVSQKOABHR-LLVKDONJSA-N 0 1 338.245 4.352 20 30 EIEDMN C=CCc1cc(CN[C@H](CC)c2ccccc2OC)cc(OC)c1O ZINC000733323959 1044186007 /nfs/dbraw/zinc/18/60/07/1044186007.db2.gz BCCQUOJJNGVCEW-GOSISDBHSA-N 0 1 341.451 4.379 20 30 EIEDMN C#CCOc1ccc(CNCc2ccccc2OC2CCCC2)cc1 ZINC000733324890 1044188612 /nfs/dbraw/zinc/18/86/12/1044188612.db2.gz INOSIZWVHKEZQU-UHFFFAOYSA-N 0 1 335.447 4.310 20 30 EIEDMN CC(=NNc1cnnc2ccccc21)c1ccc(Br)cc1 ZINC000733748434 1044299537 /nfs/dbraw/zinc/29/95/37/1044299537.db2.gz XCHMPNSBKWEOOM-UHFFFAOYSA-N 0 1 341.212 4.228 20 30 EIEDMN C[C@H](C(=O)Nc1ccccc1C#N)N1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000246757551 1044358971 /nfs/dbraw/zinc/35/89/71/1044358971.db2.gz NNERYMQZMGLDMQ-HLIPFELVSA-N 0 1 347.462 4.011 20 30 EIEDMN C=CCCCCNC(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000474079505 1044358931 /nfs/dbraw/zinc/35/89/31/1044358931.db2.gz KFOITDQGJAGLKZ-KRWDZBQOSA-N 0 1 326.444 4.074 20 30 EIEDMN C=CCc1cc(CNCc2ccc([C@H]3C[C@@H]3C)o2)cc(OC)c1O ZINC000522197463 1044369504 /nfs/dbraw/zinc/36/95/04/1044369504.db2.gz WAKOJPDORQFQRX-GUYCJALGSA-N 0 1 327.424 4.136 20 30 EIEDMN C=CCc1cc(CN[C@@H](C)c2cc(C)ccc2OC)cc(OC)c1O ZINC000113315396 1044447663 /nfs/dbraw/zinc/44/76/63/1044447663.db2.gz SXIUJAFZWSNYTB-HNNXBMFYSA-N 0 1 341.451 4.297 20 30 EIEDMN N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-n2ccnc2)cs1 ZINC000543395000 1044503748 /nfs/dbraw/zinc/50/37/48/1044503748.db2.gz TUGUAEORTHCEDI-VQTJNVASSA-N 0 1 348.475 4.206 20 30 EIEDMN C[C@H](C#N)Oc1ccc(CN[C@@H](C)c2nc3ccccc3s2)cc1 ZINC000734163127 1044508756 /nfs/dbraw/zinc/50/87/56/1044508756.db2.gz AXFPBUVHTRACKY-KGLIPLIRSA-N 0 1 337.448 4.438 20 30 EIEDMN COc1cc(CN=Nc2cc(F)c(F)cc2F)ccc1SC ZINC000734302828 1044527324 /nfs/dbraw/zinc/52/73/24/1044527324.db2.gz QNXCHSQTXVNNDE-UHFFFAOYSA-N 0 1 326.343 4.280 20 30 EIEDMN CC(N=Nc1cc(F)c(F)cc1F)c1cnn(-c2ccccc2)c1 ZINC000734302983 1044527571 /nfs/dbraw/zinc/52/75/71/1044527571.db2.gz YHJBYHLKZTYJLP-UHFFFAOYSA-N 0 1 330.313 4.126 20 30 EIEDMN Cc1nn(-c2ccccc2)c(C)c1CN=Nc1cc(F)c(F)cc1F ZINC000734302986 1044528946 /nfs/dbraw/zinc/52/89/46/1044528946.db2.gz YJPUVQFYJSFQCK-UHFFFAOYSA-N 0 1 344.340 4.352 20 30 EIEDMN N#CC(C(=O)C[C@H]1OCCc2ccccc21)c1ccc2ccccc2n1 ZINC000734705881 1044651110 /nfs/dbraw/zinc/65/11/10/1044651110.db2.gz JSKFSFPKDYQSMQ-PGRDOPGGSA-N 0 1 342.398 4.115 20 30 EIEDMN C[C@H](c1ccc(C#N)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000193161079 1044657255 /nfs/dbraw/zinc/65/72/55/1044657255.db2.gz UFWZYPQWOKBILS-OAHLLOKOSA-N 0 1 340.854 4.256 20 30 EIEDMN C=C(C)COc1cc(CN[C@H](C)c2cccc(O)c2)ccc1OC ZINC000105461409 1044672363 /nfs/dbraw/zinc/67/23/63/1044672363.db2.gz FUMUVMJKQLGTFQ-OAHLLOKOSA-N 0 1 327.424 4.207 20 30 EIEDMN N#Cc1cc(CN2CCC(OCc3ccc(F)cc3)CC2)ccc1F ZINC000091885635 1044714299 /nfs/dbraw/zinc/71/42/99/1044714299.db2.gz YIMONRVUNSOZEX-UHFFFAOYSA-N 0 1 342.389 4.018 20 30 EIEDMN C=CC[N@@H+](CCc1ccco1)Cc1ccccc1OCc1ccncc1 ZINC000495169447 1044744636 /nfs/dbraw/zinc/74/46/36/1044744636.db2.gz XKEXWMZWYANUHJ-UHFFFAOYSA-N 0 1 348.446 4.484 20 30 EIEDMN C=C[C@@](C)(CC)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)N(C)C ZINC000474194428 1044776708 /nfs/dbraw/zinc/77/67/08/1044776708.db2.gz ODXLKFWJKUAEQB-RDJZCZTQSA-N 0 1 342.405 4.027 20 30 EIEDMN N#CCOc1ccc(Cl)cc1CN1CC[C@H](c2ccccc2F)C1 ZINC000735309088 1044787888 /nfs/dbraw/zinc/78/78/88/1044787888.db2.gz FPKKSFBDWUYYRX-AWEZNQCLSA-N 0 1 344.817 4.371 20 30 EIEDMN C=C(C)COc1cc(CN[C@@H](c2ccccn2)C2CC2)ccc1OC ZINC000922586805 1044832378 /nfs/dbraw/zinc/83/23/78/1044832378.db2.gz QJGHXRAGBHECCV-OAQYLSRUSA-N 0 1 338.451 4.286 20 30 EIEDMN N#Cc1ccc(CN(Cc2cccc(-c3cccnc3)c2)C2CC2)o1 ZINC000093818171 1044856339 /nfs/dbraw/zinc/85/63/39/1044856339.db2.gz GBIQPNKTEQLDPZ-UHFFFAOYSA-N 0 1 329.403 4.378 20 30 EIEDMN Cc1cc2ccccc2n1CC(=O)C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000735788784 1044864031 /nfs/dbraw/zinc/86/40/31/1044864031.db2.gz HLSSHYQFHBRXSS-MRXNPFEDSA-N 0 1 342.402 4.011 20 30 EIEDMN Cc1cc2ccccc2n1CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788784 1044864033 /nfs/dbraw/zinc/86/40/33/1044864033.db2.gz HLSSHYQFHBRXSS-MRXNPFEDSA-N 0 1 342.402 4.011 20 30 EIEDMN Cc1cc2ccccc2n1CC(=O)C(C#N)c1nc2cccc(C)c2[nH]1 ZINC000735788784 1044864034 /nfs/dbraw/zinc/86/40/34/1044864034.db2.gz HLSSHYQFHBRXSS-MRXNPFEDSA-N 0 1 342.402 4.011 20 30 EIEDMN Cc1cc(C)c(NC(=O)CN(C)CCCCC2(C#N)CCC2)c(C)c1 ZINC000929344407 1044867407 /nfs/dbraw/zinc/86/74/07/1044867407.db2.gz RSOPUIGBDAGDHJ-UHFFFAOYSA-N 0 1 341.499 4.346 20 30 EIEDMN Cc1cccc2nc([C@H](C#N)C(=O)C[C@H]3CCOc4ccccc43)[nH]c21 ZINC000735793469 1044867313 /nfs/dbraw/zinc/86/73/13/1044867313.db2.gz SXPLYDIEVXEXAZ-GDBMZVCRSA-N 0 1 345.402 4.004 20 30 EIEDMN Cc1cccc2nc([C@H](C#N)C(=O)Cc3cccc(OC(C)C)c3)[nH]c21 ZINC000735793476 1044867826 /nfs/dbraw/zinc/86/78/26/1044867826.db2.gz TVXLAIOITVFFAU-QGZVFWFLSA-N 0 1 347.418 4.078 20 30 EIEDMN C[C@@]1(NCc2cccc(OCCCC#N)c2)CCOc2ccccc21 ZINC000923025702 1044910452 /nfs/dbraw/zinc/91/04/52/1044910452.db2.gz NOVDDACWAYRERG-OAQYLSRUSA-N 0 1 336.435 4.157 20 30 EIEDMN CCCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1[O-] ZINC000282388311 1044985096 /nfs/dbraw/zinc/98/50/96/1044985096.db2.gz GQMIUXKEOMCSCE-UHFFFAOYSA-N 0 1 330.472 4.095 20 30 EIEDMN CCCC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1[O-] ZINC000282388311 1044985107 /nfs/dbraw/zinc/98/51/07/1044985107.db2.gz GQMIUXKEOMCSCE-UHFFFAOYSA-N 0 1 330.472 4.095 20 30 EIEDMN N#CC(C(=O)C1(c2ccccc2F)CC1)c1ccc2ccccc2n1 ZINC000737318762 1045001220 /nfs/dbraw/zinc/00/12/20/1045001220.db2.gz OKAZFKUWWLAQQV-OAHLLOKOSA-N 0 1 330.362 4.282 20 30 EIEDMN CC(=NNC(=S)Nc1ccccc1)c1[nH]c(-c2ccccc2)nc1C ZINC000915110478 1045093013 /nfs/dbraw/zinc/09/30/13/1045093013.db2.gz VXFCUDSTVCWBGS-UHFFFAOYSA-N 0 1 349.463 4.096 20 30 EIEDMN C=CC[C@@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1ccncc1 ZINC000766017332 1045183573 /nfs/dbraw/zinc/18/35/73/1045183573.db2.gz ABJQTJHIXMESHP-DYESRHJHSA-N 0 1 332.451 4.294 20 30 EIEDMN C[C@H](NCc1ccc(N(C)CCC#N)cc1)c1cc(F)ccc1F ZINC000915224920 1045197242 /nfs/dbraw/zinc/19/72/42/1045197242.db2.gz 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CC[C@@H](NCc1ccc(O[C@@H](C)C#N)cc1)c1cc(F)ccc1F ZINC000123945789 1054383439 /nfs/dbraw/zinc/38/34/39/1054383439.db2.gz FRPNLWWBSGQRCO-ORAYPTAESA-N 0 1 330.378 4.497 20 30 EIEDMN CN(C)c1ccc(C#N)cc1CNCc1ccc(-c2ccccc2)o1 ZINC001199420596 1054404221 /nfs/dbraw/zinc/40/42/21/1054404221.db2.gz OJDWBURPLBAKLS-UHFFFAOYSA-N 0 1 331.419 4.174 20 30 EIEDMN C=CC(C)(C)CCNC(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000873076829 1054483695 /nfs/dbraw/zinc/48/36/95/1054483695.db2.gz BRVIANGRXFQYKE-HNNXBMFYSA-N 0 1 332.492 4.024 20 30 EIEDMN Cn1c2ccccc2nc1C(C#N)C(=O)C1(Cc2ccccc2)CCC1 ZINC000124412959 1054495700 /nfs/dbraw/zinc/49/57/00/1054495700.db2.gz NAPIUAZPQPUPLD-KRWDZBQOSA-N 0 1 343.430 4.163 20 30 EIEDMN C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cc(Br)ccc1[O-] ZINC000282205191 1054575939 /nfs/dbraw/zinc/57/59/39/1054575939.db2.gz HAWJEASCGAQHCR-PNESKVBLSA-N 0 1 337.261 4.135 20 30 EIEDMN COc1ccc(C(C)N=Nc2ccccc2F)c(Br)c1 ZINC000776185363 1054790417 /nfs/dbraw/zinc/79/04/17/1054790417.db2.gz 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C#Cc1cccc(CNCc2c(C)nn(Cc3ccc(C)cc3)c2C)c1 ZINC000825226188 1048052808 /nfs/dbraw/zinc/05/28/08/1048052808.db2.gz FBFWYHPJPGFJKF-UHFFFAOYSA-N 0 1 343.474 4.128 20 30 EIEDMN C#CCCCN1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000814675837 1048113589 /nfs/dbraw/zinc/11/35/89/1048113589.db2.gz USTMFRMIZKDEBB-INIZCTEOSA-N 0 1 325.374 4.271 20 30 EIEDMN FC(F)(F)c1cnc(NN=Cc2cccnc2Cl)c(Cl)c1 ZINC000814697401 1048127049 /nfs/dbraw/zinc/12/70/49/1048127049.db2.gz MPNNKTMPUAYCOM-UHFFFAOYSA-N 0 1 335.116 4.248 20 30 EIEDMN CCC(=[NH+][N-]c1ccc([N+](=O)[O-])cc1OC)c1ccc(Cl)c(N)c1 ZINC000814822022 1048185094 /nfs/dbraw/zinc/18/50/94/1048185094.db2.gz QOXWVXNJWZKPIF-UHFFFAOYSA-N 0 1 348.790 4.065 20 30 EIEDMN Clc1cccnc1NN=C1CCc2sc(Br)cc21 ZINC000814810275 1048191227 /nfs/dbraw/zinc/19/12/27/1048191227.db2.gz FUSQNCHYXLIUAM-UHFFFAOYSA-N 0 1 342.649 4.321 20 30 EIEDMN CCC(=NNc1ccc(Br)cc1F)c1ccc(F)cn1 ZINC000814836391 1048196348 /nfs/dbraw/zinc/19/63/48/1048196348.db2.gz PISLKCQLPDYRGN-UHFFFAOYSA-N 0 1 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CCO[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2s1)c1ccccc1 ZINC000920325296 1048649683 /nfs/dbraw/zinc/64/96/83/1048649683.db2.gz YAXGIYAGYARZDG-RDTXWAMCSA-N 0 1 336.416 4.250 20 30 EIEDMN Cc1cc(C)c2c(c1)OCCC2=NN=c1[nH]c2cc(F)c(F)cc2[nH]1 ZINC000920375116 1048658667 /nfs/dbraw/zinc/65/86/67/1048658667.db2.gz GEMQTPWIINYFOD-UHFFFAOYSA-N 0 1 342.349 4.057 20 30 EIEDMN N#CC(C(=O)[C@H]1C[C@H]1C1CCCC1)c1nc2ccccc2n1C(F)F ZINC000845450271 1048668713 /nfs/dbraw/zinc/66/87/13/1048668713.db2.gz HARZHGLUDOSUNW-MELADBBJSA-N 0 1 343.377 4.434 20 30 EIEDMN CC(C)(C#N)CC(=O)Oc1cccc(CN2CCc3ccccc3C2)c1 ZINC000845720942 1048716951 /nfs/dbraw/zinc/71/69/51/1048716951.db2.gz WXZVYRAVROPJRE-UHFFFAOYSA-N 0 1 348.446 4.090 20 30 EIEDMN N#CC(C(=O)Cc1cccc(C2CC2)c1)=C(O)C1(c2ccccc2)CC1 ZINC000845844448 1048735470 /nfs/dbraw/zinc/73/54/70/1048735470.db2.gz REMZEPNJJDROQQ-HXUWFJFHSA-N 0 1 343.426 4.116 20 30 EIEDMN C[C@@H](CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1)c1ccccc1F ZINC000845837710 1048745893 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C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000847027844 1048982928 /nfs/dbraw/zinc/98/29/28/1048982928.db2.gz DFVILRHDTQRTKI-ROUUACIJSA-N 0 1 332.447 4.026 20 30 EIEDMN C=C(C)COc1cc(CN2CCCc3occc3C2)ccc1OC ZINC000564329634 1049059051 /nfs/dbraw/zinc/05/90/51/1049059051.db2.gz CDRIAAXEBYOKPJ-UHFFFAOYSA-N 0 1 327.424 4.192 20 30 EIEDMN CCc1noc(C)c1[C@@H](C)NCc1cccc(O[C@@H](C#N)CC)c1 ZINC000772983535 1049192755 /nfs/dbraw/zinc/19/27/55/1049192755.db2.gz KNSKAKSAURTYIT-CZUORRHYSA-N 0 1 327.428 4.077 20 30 EIEDMN CCO[C@H](C)C(=O)C(C#N)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000103639670 1049331201 /nfs/dbraw/zinc/33/12/01/1049331201.db2.gz ZCVOCYBRZDYGEJ-MFKMUULPSA-N 0 1 334.828 4.065 20 30 EIEDMN COCCCCN(Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000064621022 1049373149 /nfs/dbraw/zinc/37/31/49/1049373149.db2.gz IJFUGWOTWDVHGR-UHFFFAOYSA-N 0 1 347.462 4.240 20 30 EIEDMN Cc1nn(C)c(Cl)c1C=NN=c1cc(C)c2cc(Cl)ccc2[nH]1 ZINC000812489757 1049491866 /nfs/dbraw/zinc/49/18/66/1049491866.db2.gz CKCCFCIMBFZCFK-UHFFFAOYSA-N 0 1 348.237 4.338 20 30 EIEDMN N#CCCN(Cc1ccccc1)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171359137 1049508638 /nfs/dbraw/zinc/50/86/38/1049508638.db2.gz AZKFKHQQDLIFCS-GOSISDBHSA-N 0 1 326.390 4.238 20 30 EIEDMN C=C(Cl)COc1ccc([C@H](C)N[C@H](CO)c2cccc(F)c2)cc1 ZINC000773013112 1049523496 /nfs/dbraw/zinc/52/34/96/1049523496.db2.gz WUSIORBPTWQSCE-IFXJQAMLSA-N 0 1 349.833 4.341 20 30 EIEDMN Cc1ccc2c(C)cc(NN=Cc3cnc([C@H](C)O)s3)nc2c1C ZINC000773027230 1049539281 /nfs/dbraw/zinc/53/92/81/1049539281.db2.gz XGXNCYVQLUBCRP-ZDUSSCGKSA-N 0 1 340.452 4.116 20 30 EIEDMN CN(C)Cc1cccc(C(=O)/C=C/c2ccc(Br)cc2)c1 ZINC000821017522 1049586803 /nfs/dbraw/zinc/58/68/03/1049586803.db2.gz JGQCLMDFCJODEG-DHZHZOJOSA-N 0 1 344.252 4.407 20 30 EIEDMN C#C[C@@H](N[C@H](C)CC(=O)Nc1ccccc1CC)c1ccc(F)cc1 ZINC000812793465 1049588740 /nfs/dbraw/zinc/58/87/40/1049588740.db2.gz VLKQVUPQYVLJAQ-DNVCBOLYSA-N 0 1 338.426 4.069 20 30 EIEDMN C#C[C@H](N[C@@H](C)CC(=O)Nc1ccccc1CC)c1ccc(F)cc1 ZINC000812793467 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COc1ccc(CN[C@@H]2CCCc3sc(Cl)cc32)cc1C#N ZINC000813790004 1049817684 /nfs/dbraw/zinc/81/76/84/1049817684.db2.gz FJVGMEZCJDKOKE-CQSZACIVSA-N 0 1 332.856 4.449 20 30 EIEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nc(Cc2ccc(F)cc2)no1 ZINC001171920550 1049820332 /nfs/dbraw/zinc/82/03/32/1049820332.db2.gz IVOIVXYVYUQYGJ-NVXWUHKLSA-N 0 1 329.419 4.024 20 30 EIEDMN N#CC(C(=O)c1ccoc1)c1nc(-c2c(F)cccc2F)cs1 ZINC000068349088 1049823238 /nfs/dbraw/zinc/82/32/38/1049823238.db2.gz HGBQJPXQCQUAOK-JTQLQIEISA-N 0 1 330.315 4.171 20 30 EIEDMN C=CCC[C@@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1ccccc1 ZINC000180259563 1049873231 /nfs/dbraw/zinc/87/32/31/1049873231.db2.gz PRTUCPKIPCBXGQ-LJQANCHMSA-N 0 1 335.403 4.296 20 30 EIEDMN CCC[C@@H](C(=O)c1ccccc1)N(C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312807 1049875481 /nfs/dbraw/zinc/87/54/81/1049875481.db2.gz JQRKIXBGPIRFJC-UWJYYQICSA-N 0 1 334.463 4.473 20 30 EIEDMN CCCCCCC[C@@H](CC)n1cc(C[C@H](N)C(N)=O)c2ccccc21 ZINC001172347544 1049891488 /nfs/dbraw/zinc/89/14/88/1049891488.db2.gz 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Cc1cc(NN=Cc2ccc(-c3nc4ccccc4s3)o2)nc(C)n1 ZINC000915970917 1045848227 /nfs/dbraw/zinc/84/82/27/1045848227.db2.gz SZULFUVFAKKBRB-UHFFFAOYSA-N 0 1 349.419 4.409 20 30 EIEDMN O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1c[nH]nc1-c1cccs1 ZINC000915975486 1045849261 /nfs/dbraw/zinc/84/92/61/1045849261.db2.gz IPGNUBRLNCMRAG-UHFFFAOYSA-N 0 1 347.787 4.146 20 30 EIEDMN C[C@H](/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)CC(=O)N2 ZINC000915982952 1045855068 /nfs/dbraw/zinc/85/50/68/1045855068.db2.gz JUXQFQVRMWJMPO-OSALFXOTSA-N 0 1 349.217 4.374 20 30 EIEDMN N#C[C@@H](C(=O)[C@H]1Cc2ccccc2S1)c1nccc2ccccc21 ZINC000792103563 1045857712 /nfs/dbraw/zinc/85/77/12/1045857712.db2.gz LHBLKKONFGNUCS-SJLPKXTDSA-N 0 1 330.412 4.128 20 30 EIEDMN N#C[C@@H](C(=O)CCc1cccc(Cl)c1)c1cnc2ccccc2n1 ZINC000792109093 1045859822 /nfs/dbraw/zinc/85/98/22/1045859822.db2.gz SGDCDEILKHVHSB-OAHLLOKOSA-N 0 1 335.794 4.092 20 30 EIEDMN Cc1cc(Cl)ccc1CON=Cc1ccc(N2CCOCC2)cc1 ZINC000768927261 1045861642 /nfs/dbraw/zinc/86/16/42/1045861642.db2.gz 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CC(C)c1csc(C(C#N)C(=O)c2ccc(C(C)(F)F)nc2)n1 ZINC000453683747 1032071328 /nfs/dbraw/zinc/07/13/28/1032071328.db2.gz BOQNCHKBJCOPJG-NSHDSACASA-N 0 1 335.379 4.263 20 30 EIEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccc(C(C)(F)F)nc2)n1 ZINC000453683747 1032071341 /nfs/dbraw/zinc/07/13/41/1032071341.db2.gz BOQNCHKBJCOPJG-NSHDSACASA-N 0 1 335.379 4.263 20 30 EIEDMN COc1c(Cl)cccc1CNCc1cccc(OCCCC#N)c1 ZINC000897483716 1032103004 /nfs/dbraw/zinc/10/30/04/1032103004.db2.gz UKBUPWSPXMDMEZ-UHFFFAOYSA-N 0 1 344.842 4.321 20 30 EIEDMN C=C(Br)CN[C@@H](C)c1ccc(OC(C)C)c(OC)c1 ZINC000775015189 1050314907 /nfs/dbraw/zinc/31/49/07/1050314907.db2.gz RVAIOXAUWQLNNW-LBPRGKRZSA-N 0 1 328.250 4.042 20 30 EIEDMN CC(C)(C)c1[nH]n(C[C@@H]2CCCCC2(F)F)c(=O)c1CCC#N ZINC000418900365 1032745182 /nfs/dbraw/zinc/74/51/82/1032745182.db2.gz MOGGWYPRBBOGNZ-LBPRGKRZSA-N 0 1 325.403 4.168 20 30 EIEDMN C[C@]1(C(=O)[C@@H](C#N)c2nc(-c3ccc(Cl)cc3)cs2)CCCO1 ZINC000120111146 1018843616 /nfs/dbraw/zinc/84/36/16/1018843616.db2.gz 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C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1cc(C#N)cnc1Cl ZINC000877077383 1055013452 /nfs/dbraw/zinc/01/34/52/1055013452.db2.gz GFQKMOQWCUWVGM-APPDUMDISA-N 0 1 329.806 4.159 20 30 EIEDMN CC(=O)Nc1ccc2c(c1)CN(Cc1ccc(C(C)(C)C#N)cc1)CC2 ZINC000877818278 1055127752 /nfs/dbraw/zinc/12/77/52/1055127752.db2.gz ZHWDDBIOFTVJTA-UHFFFAOYSA-N 0 1 347.462 4.004 20 30 EIEDMN Fc1ccc(C(F)(F)F)cc1N=NC1CCCc2scnc21 ZINC000863103936 1055147980 /nfs/dbraw/zinc/14/79/80/1055147980.db2.gz OOVDVTGSCXOJAG-UHFFFAOYSA-N 0 1 329.322 4.454 20 30 EIEDMN C=CCC[C@@H](NCc1csc(-c2ccn(C)n2)n1)c1ccccc1 ZINC000878368274 1055272939 /nfs/dbraw/zinc/27/29/39/1055272939.db2.gz IMGZOTBLGNDMTI-QGZVFWFLSA-N 0 1 338.480 4.341 20 30 EIEDMN C#CC[C@H]1CCCN(Cc2nnc(-c3cccc4ccccc43)o2)C1 ZINC000878760670 1055390606 /nfs/dbraw/zinc/39/06/06/1055390606.db2.gz KOBUQEYOCROZNC-INIZCTEOSA-N 0 1 331.419 4.125 20 30 EIEDMN C=C(C)CN(CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000301492370 1055942786 /nfs/dbraw/zinc/94/27/86/1055942786.db2.gz 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N#C[C@@H](C(=O)c1cnc2ccc(F)cc2c1)c1nc2ccccc2s1 ZINC000340212951 1020637904 /nfs/dbraw/zinc/63/79/04/1020637904.db2.gz GBTHCWGFRVETBK-AWEZNQCLSA-N 0 1 347.374 4.474 20 30 EIEDMN N#Cc1ccc(CNCc2cccc(NC(=O)C3CCCC3)c2)s1 ZINC000176951730 1020937936 /nfs/dbraw/zinc/93/79/36/1020937936.db2.gz YCTZKRQWHQWHQA-UHFFFAOYSA-N 0 1 339.464 4.038 20 30 EIEDMN Cc1ccc(C[C@H](NCc2ccc(C#N)s2)c2ccccn2)cc1 ZINC000176970586 1020942107 /nfs/dbraw/zinc/94/21/07/1020942107.db2.gz OTGBBMHGLNVFHE-FQEVSTJZSA-N 0 1 333.460 4.397 20 30 EIEDMN C=CC(C)(C)C(=O)Nc1ccc(N2CCN(CCC)CC2)c(Cl)c1 ZINC001125380446 1020956945 /nfs/dbraw/zinc/95/69/45/1020956945.db2.gz FXIOJOZLDPMOQZ-UHFFFAOYSA-N 0 1 349.906 4.023 20 30 EIEDMN CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1 ZINC000510315186 1021345398 /nfs/dbraw/zinc/34/53/98/1021345398.db2.gz OVDJHNVXQFBDRN-IBGZPJMESA-N 0 1 336.370 4.247 20 30 EIEDMN N#Cc1csc(CNCc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000177686679 1021446716 /nfs/dbraw/zinc/44/67/16/1021446716.db2.gz DYNONDUIVNKCFU-UHFFFAOYSA-N 0 1 339.395 4.236 20 30 EIEDMN CC(C)c1csc(C(C#N)C(=O)c2c(Cl)nc3ccccn32)n1 ZINC000177763102 1021664582 /nfs/dbraw/zinc/66/45/82/1021664582.db2.gz MEVHQMTULZHRNL-SNVBAGLBSA-N 0 1 344.827 4.058 20 30 EIEDMN N#Cc1ccc(CN2CC[C@H]2Cc2ccccc2)c(C(F)(F)F)c1 ZINC000580253769 1021803837 /nfs/dbraw/zinc/80/38/37/1021803837.db2.gz MQKPKAMZLNTEFH-KRWDZBQOSA-N 0 1 330.353 4.394 20 30 EIEDMN COc1ccc([C@H](C)NCc2ccc(C#N)cc2Cl)c(C)c1OC ZINC000580303844 1021832007 /nfs/dbraw/zinc/83/20/07/1021832007.db2.gz VIYXVOSXJHQGBB-ZDUSSCGKSA-N 0 1 344.842 4.388 20 30 EIEDMN Cc1c[nH]cc1C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000613405060 1021953577 /nfs/dbraw/zinc/95/35/77/1021953577.db2.gz UEVGSJZKIDNATJ-SNVBAGLBSA-N 0 1 349.337 4.442 20 30 EIEDMN Cc1c[nH]cc1C(=O)[C@@H](C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000613405060 1021953593 /nfs/dbraw/zinc/95/35/93/1021953593.db2.gz UEVGSJZKIDNATJ-SNVBAGLBSA-N 0 1 349.337 4.442 20 30 EIEDMN C=CCN(CC(=O)Nc1nc(CC)c(C)s1)CC1CCCCC1 ZINC001167392321 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CCCCCCCC[C@H](CC)N1Cc2cn(C)nc2[C@H](COC)C1 ZINC001172505879 1049924335 /nfs/dbraw/zinc/92/43/35/1049924335.db2.gz WMOWHEFGMLGWAK-OALUTQOASA-N 0 1 335.536 4.495 20 30 EIEDMN CCCC[C@@H]1C[C@H](N(CC)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001172652580 1049955806 /nfs/dbraw/zinc/95/58/06/1049955806.db2.gz YDACMVGABPTHHP-IAGOWNOFSA-N 0 1 337.508 4.180 20 30 EIEDMN Cc1ccccc1CC(C)(C)CNC(=O)C(C#N)Cc1cccs1 ZINC001177918144 1050328826 /nfs/dbraw/zinc/32/88/26/1050328826.db2.gz QPBDRGCZNMSNEH-KRWDZBQOSA-N 0 1 340.492 4.124 20 30 EIEDMN Cc1cc(C#N)cc(C)c1NS(=O)(=O)c1csc2ccccc21 ZINC001186495591 1050339520 /nfs/dbraw/zinc/33/95/20/1050339520.db2.gz RXXBMOMTASMOAJ-UHFFFAOYSA-N 0 1 342.445 4.191 20 30 EIEDMN C[C@@H](CC(c1ccccc1)c1ccccc1)NC1(C#N)CCN(C)CC1 ZINC001173215253 1050347784 /nfs/dbraw/zinc/34/77/84/1050347784.db2.gz OVQZSUFWSKIDFF-IBGZPJMESA-N 0 1 347.506 4.175 20 30 EIEDMN C[C@H](CC(c1ccccc1)c1ccccc1)NC1(C#N)CCN(C)CC1 ZINC001173215254 1050349907 /nfs/dbraw/zinc/34/99/07/1050349907.db2.gz 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C[C@H](CCc1ccc(Cl)c(Cl)c1)NCc1ncc(C#N)s1 ZINC001173552849 1050490034 /nfs/dbraw/zinc/49/00/34/1050490034.db2.gz WJNGXDDGLQGUSC-SNVBAGLBSA-N 0 1 340.279 4.432 20 30 EIEDMN COC[C@@H](N[C@H]1CCc2cc(C#N)ccc21)c1ccc(Cl)cc1 ZINC000618807024 1050535084 /nfs/dbraw/zinc/53/50/84/1050535084.db2.gz UYBWKADTMKIVBT-RBUKOAKNSA-N 0 1 326.827 4.176 20 30 EIEDMN CC(=O)c1ccc(C#N)c(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000808086646 1050540581 /nfs/dbraw/zinc/54/05/81/1050540581.db2.gz FMHXEOUGCHYZCO-UHFFFAOYSA-N 0 1 335.190 4.385 20 30 EIEDMN C=CCc1cc(CN(C)[C@@H](C)c2cccc(O)c2)cc(OC)c1O ZINC000093315562 1050559588 /nfs/dbraw/zinc/55/95/88/1050559588.db2.gz PHJRCLRVNFIYPW-AWEZNQCLSA-N 0 1 327.424 4.028 20 30 EIEDMN C=CCc1cc(CN2CCC[C@H]2c2cccc(C)n2)cc(OC)c1O ZINC000093445092 1050602561 /nfs/dbraw/zinc/60/25/61/1050602561.db2.gz ZBKAOKIZAMJTLL-IBGZPJMESA-N 0 1 338.451 4.170 20 30 EIEDMN CCCCCCCCS(=O)(=O)Nc1ncnc2sc(C)cc21 ZINC001187992376 1050664995 /nfs/dbraw/zinc/66/49/95/1050664995.db2.gz GQWVIOAUWFRZBY-UHFFFAOYSA-N 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